Return-Path: Received: by thccy16.Oz.nthu.edu.tw (station v4.1) from thccx10.cc.nthu.edu.tw id QAA00425; Mon, 26 May 1997 16:24:15 +0800 (CST) From: swissmod@ggr.co.uk Received: from gate.ggr.co.uk (gate.ggr.co.uk [193.128.25.10]) by thccx10.cc.nthu.edu.tw (8.8.2/TH-V5.1) with ESMTP id QAA02976 for ; Mon, 26 May 1997 16:27:48 +0800 (CST) Received: from mailhub.ggr.co.uk (uk0x07.ggr.co.uk [147.184.146.69]) by gate.ggr.co.uk; Mon, 26 May 1997 09:17:50 +0100 (BST) Received: from ch0x01.gimb.glaxo (ch0x01.gimb.glaxo [193.8.194.34]) by mailhub.ggr.co.uk; Mon, 26 May 1997 09:17:02 +0100 (BST) Received: from localhost by ch0x01.gimb.glaxo (940816.SGI.8.6.9/GIMB-3.1/) id GAA14723; Mon, 26 May 1997 06:19:21 GMT Date: Mon, 26 May 1997 06:19:21 GMT Message-Id: <199705260619.GAA14723@ch0x01.gimb.glaxo> Subject: SwissModel-FullModel-AAAa14140 Apparently-To: X-UIDL: 47c3bacf09c109f68a481cbbbf8307da Status: O X-Status: X-Mozilla-Status: 0005 HEADER SWISS-MODEL (Automated Protein Modelling Server) EXPDTA THEORETICAL MODEL (Primary) AUTHOR ProMod (SEE REFERENCE IN JRNL Records) JRNL 1 AUTH M.C.PEITSCH JRNL 1 TITL PROTEIN MODELING BY EMAIL JRNL 1 REF BIO/TECHNOLOGY V. 13 658 1995 JRNL 1 REFN ISSN 0733-222X JRNL 2 AUTH M.C.PEITSCH JRNL 2 TITL PROMOD AND SWISS-MODEL: INTERNET-BASED TOOLS FOR JRNL 2 TITL 2 AUTOMATED COMPARATIVE PROTEIN MODELLING. JRNL 2 REF BIOCHEM. SOC. TRANS. V. 24 274 1996 REMARK REMARK REFINEMENT. NONE. REMARK REMARK Your Request is: toxin REMARK Date : Mon May 26 06:17:15 GMT 1997 REMARK SMID : AAAa14140 REMARK REMARK THE COORDINATES IN THIS ENTRY REPRESENT A MODEL STRUCTURE. REMARK THIS MODEL IS BASED UPON THE COORDINATES OF: REMARK REMARK 2CRS REMARK CARDIOTOXIN 12-MAR-94 2CRS 2CRS 2 REMARK CARDIOTOXIN III (NMR, 13 STRUCTURES) 2CRS 3 REMARK NMR REMARK 1CRE REMARK CARDIOTOXIN 12-MAR-94 1CRE 1CRE 2 REMARK CARDIOTOXIN II (NMR, MINIMIZED AVERAGE STRUCTURE) 1CRE 3 REMARK NMR REMARK 2CDX REMARK CARDIOTOXIN 06-SEP-94 2CDX 2CDX 2 REMARK CARDIOTOXIN CTX I (NMR, 11 STRUCTURES) 2CDX 3 REMARK NMR REMARK 1CDT REMARK CYTOTOXIN 17-MAY-90 1CDT 1CDT 2 REMARK CARDIOTOXIN V=4===/II$== (TOXIN /III$) 1CDT 3 REMARK REMARK 1CXN REMARK CYTOTOXIN 08-JUL-94 1CXN 1CXN 2 REMARK CARDIOTOXIN GAMMA (NMR, MINIMIZED AVERAGE STRUCTURE) 1CXN 3 REMARK NMR REMARK 2CCX REMARK CARDIOTOXIN 01-FEB-93 2CCX REMARK CARDIOTOXIN CTX IIB (DISTANCE CONSTRAINED STRUCTURE) REMARK NMR REMARK 2ABX REMARK POSTSYNAPTIC NEUROTOXIN 19-FEB-86 2ABX 2ABX 3 REMARK ALPHA-*BUNGAROTOXIN 2ABX 4 REMARK REMARK 1ABT REMARK TOXIN 17-NOV-93 1ABT 1ABT 2 REMARK ALPHA-BUNGAROTOXIN COMPLEXED WITH THE 185 - 196 FRAGMENT OF 1ABT 3 REMARK NMR REMARK ATOM 1 N LEU 7 7.559 -2.591 -5.956 1.00 77.92 ATOM 2 CA LEU 7 8.193 -1.998 -7.151 1.00 77.92 ATOM 3 C LEU 7 9.511 -2.737 -7.428 1.00 77.92 ATOM 4 O LEU 7 10.541 -2.522 -6.793 1.00 77.92 ATOM 5 CB LEU 7 8.482 -0.527 -6.909 1.00 77.92 ATOM 6 CG LEU 7 7.168 0.230 -6.760 1.00 99.99 ATOM 7 CD1 LEU 7 6.330 -0.419 -5.663 1.00 99.99 ATOM 8 CD2 LEU 7 7.453 1.681 -6.392 1.00 99.99 ATOM 9 N ILE 8 4.650 -7.255 -5.313 1.00 60.32 ATOM 10 CA ILE 8 5.527 -7.857 -6.356 1.00 60.32 ATOM 11 C ILE 8 6.347 -8.979 -5.708 1.00 60.32 ATOM 12 O ILE 8 6.674 -8.899 -4.541 1.00 60.32 ATOM 13 CB ILE 8 6.462 -6.800 -6.912 1.00 60.32 ATOM 14 CG1 ILE 8 5.643 -5.665 -7.518 1.00 60.32 ATOM 15 CG2 ILE 8 7.337 -7.428 -7.992 1.00 60.32 ATOM 16 CD ILE 8 6.582 -4.574 -8.025 1.00 99.99 ATOM 17 N PRO 9 6.656 -9.995 -6.475 1.00 58.44 ATOM 18 CA PRO 9 7.435 -11.140 -5.971 1.00 58.44 ATOM 19 C PRO 9 8.878 -10.734 -5.646 1.00 58.44 ATOM 20 O PRO 9 9.792 -10.926 -6.424 1.00 58.44 ATOM 21 CB PRO 9 7.287 -12.118 -7.081 1.00 58.44 ATOM 22 CG PRO 9 6.982 -11.257 -8.283 1.00 58.44 ATOM 23 CD PRO 9 6.363 -10.178 -7.997 1.00 58.44 ATOM 24 N LEU 10 9.120 -9.896 -4.410 1.00 51.09 ATOM 25 CA LEU 10 10.050 -9.686 -3.918 1.00 51.09 ATOM 26 C LEU 10 9.944 -9.284 -2.437 1.00 51.09 ATOM 27 O LEU 10 9.948 -10.052 -1.579 1.00 51.09 ATOM 28 CB LEU 10 10.821 -8.672 -4.894 1.00 55.00 ATOM 29 CG LEU 10 9.723 -7.754 -5.417 1.00 55.00 ATOM 30 CD1 LEU 10 8.778 -7.391 -4.276 1.00 55.00 ATOM 31 CD2 LEU 10 10.347 -6.483 -5.984 1.00 55.00 ATOM 32 N PHE 11 10.424 -8.113 -2.209 1.00 55.00 ATOM 33 CA PHE 11 10.320 -7.721 -0.776 1.00 55.00 ATOM 34 C PHE 11 9.618 -6.349 -0.492 1.00 51.09 ATOM 35 O PHE 11 8.696 -6.121 -0.065 1.00 51.09 ATOM 36 CB PHE 11 11.574 -8.429 -0.296 1.00 55.00 ATOM 37 CG PHE 11 11.344 -8.877 1.127 1.00 55.00 ATOM 38 CD1 PHE 11 10.614 -10.043 1.385 1.00 55.00 ATOM 39 CD2 PHE 11 11.860 -8.125 2.189 1.00 55.00 ATOM 40 CE1 PHE 11 10.401 -10.458 2.704 1.00 55.00 ATOM 41 CE2 PHE 11 11.647 -8.540 3.509 1.00 55.00 ATOM 42 CZ PHE 11 10.916 -9.705 3.767 1.00 55.00 ATOM 43 N TYR 12 10.614 -5.499 -0.775 1.00 48.45 ATOM 44 CA TYR 12 10.569 -4.251 -0.599 1.00 48.45 ATOM 45 C TYR 12 11.189 -3.097 -2.699 1.00 34.00 ATOM 46 O TYR 12 12.001 -3.828 -3.247 1.00 37.40 ATOM 47 CB TYR 12 11.170 -3.373 0.438 1.00 51.94 ATOM 48 CG TYR 12 12.559 -3.928 0.643 1.00 51.94 ATOM 49 CD1 TYR 12 13.653 -3.334 0.002 1.00 51.94 ATOM 50 CD2 TYR 12 12.752 -5.038 1.474 1.00 51.94 ATOM 51 CE1 TYR 12 14.940 -3.849 0.192 1.00 51.94 ATOM 52 CE2 TYR 12 14.040 -5.552 1.665 1.00 51.94 ATOM 53 CZ TYR 12 15.134 -4.959 1.024 1.00 51.94 ATOM 54 OH TYR 12 16.385 -5.459 1.209 1.00 51.94 ATOM 55 N GLU 13 10.985 -2.171 -2.754 1.00 27.50 ATOM 56 CA GLU 13 11.388 -1.126 -3.852 1.00 35.96 ATOM 57 C GLU 13 11.851 -0.019 -2.819 1.00 27.50 ATOM 58 O GLU 13 11.212 0.160 -1.618 1.00 29.40 ATOM 59 CB GLU 13 10.215 -0.688 -4.584 1.00 34.25 ATOM 60 CG GLU 13 9.779 -1.829 -5.471 1.00 49.21 ATOM 61 CD GLU 13 10.834 -2.068 -6.550 1.00 49.21 ATOM 62 OE1 GLU 13 11.756 -2.882 -6.283 1.00 99.99 ATOM 63 OE2 GLU 13 10.706 -1.433 -7.631 1.00 99.99 ATOM 64 N THR 14 11.771 1.085 -4.033 1.00 27.58 ATOM 65 CA THR 14 11.980 2.470 -3.642 1.00 27.58 ATOM 66 C THR 14 11.071 3.367 -4.418 1.00 27.58 ATOM 67 O THR 14 10.843 3.315 -5.434 1.00 27.58 ATOM 68 CB THR 14 13.522 2.786 -3.589 1.00 25.76 ATOM 69 OG1 THR 14 13.724 4.003 -2.865 1.00 30.56 ATOM 70 CG2 THR 14 13.901 2.996 -5.051 1.00 35.15 ATOM 71 N CYS 15 10.745 3.902 -3.814 1.00 18.93 ATOM 72 CA CYS 15 10.026 5.009 -4.398 1.00 21.30 ATOM 73 C CYS 15 10.404 6.348 -4.550 1.00 21.30 ATOM 74 O CYS 15 10.176 6.927 -4.083 1.00 24.22 ATOM 75 CB CYS 15 8.653 4.091 -4.593 1.00 27.10 ATOM 76 SG CYS 15 8.153 3.915 -2.760 1.00 18.93 ATOM 77 N PRO 16 11.775 6.628 -4.103 1.00 32.24 ATOM 78 CA PRO 16 12.140 8.018 -3.813 1.00 32.24 ATOM 79 C PRO 16 10.298 9.430 -5.828 1.00 24.67 ATOM 80 O PRO 16 9.658 9.759 -5.057 1.00 24.67 ATOM 81 CB PRO 16 13.322 8.181 -4.006 1.00 32.24 ATOM 82 CG PRO 16 13.836 6.779 -4.235 1.00 32.24 ATOM 83 CD PRO 16 12.911 5.907 -4.347 1.00 32.24 ATOM 84 N ALA 17 10.714 10.077 -6.553 1.00 24.04 ATOM 85 CA ALA 17 10.712 9.884 -7.574 1.00 35.28 ATOM 86 C ALA 17 9.905 10.074 -6.966 1.00 26.71 ATOM 87 O ALA 17 8.442 11.655 -7.527 1.00 24.04 ATOM 88 CB ALA 17 12.485 10.025 -7.809 1.00 33.39 ATOM 89 N GLY 18 9.480 8.464 -7.769 1.00 47.95 ATOM 90 CA GLY 18 8.102 8.041 -8.151 1.00 47.95 ATOM 91 C GLY 18 6.988 8.346 -6.649 1.00 36.96 ATOM 92 O GLY 18 6.249 9.488 -7.678 1.00 47.95 ATOM 93 N GLU 19 6.941 8.937 -5.569 1.00 26.34 ATOM 94 CA GLU 19 5.918 9.671 -4.341 1.00 15.48 ATOM 95 C GLU 19 6.457 9.505 -3.044 1.00 15.48 ATOM 96 O GLU 19 7.429 8.808 -3.048 1.00 25.55 ATOM 97 CB GLU 19 5.175 8.405 -4.845 1.00 18.19 ATOM 98 CG GLU 19 5.078 8.196 -6.337 1.00 17.78 ATOM 99 CD GLU 19 4.310 9.357 -6.965 1.00 21.69 ATOM 100 OE1 GLU 19 4.981 10.354 -7.342 1.00 53.43 ATOM 101 OE2 GLU 19 3.059 9.236 -7.061 1.00 53.43 ATOM 102 N ASN 20 6.138 10.004 -2.019 1.00 16.01 ATOM 103 CA ASN 20 6.895 9.997 -0.546 1.00 14.08 ATOM 104 C ASN 20 6.116 9.216 0.266 1.00 14.08 ATOM 105 O ASN 20 6.316 9.341 1.475 1.00 16.01 ATOM 106 CB ASN 20 6.539 11.631 -0.426 1.00 16.01 ATOM 107 CG ASN 20 5.243 12.104 -1.068 1.00 35.28 ATOM 108 OD1 ASN 20 4.252 12.331 -0.378 1.00 35.28 ATOM 109 ND2 ASN 20 5.252 12.249 -2.395 1.00 47.95 ATOM 110 N ILE 21 5.201 8.459 0.082 1.00 13.10 ATOM 111 CA ILE 21 4.452 7.595 0.956 1.00 13.10 ATOM 112 C ILE 21 4.339 6.229 0.397 1.00 13.10 ATOM 113 O ILE 21 4.595 5.980 -0.744 1.00 13.10 ATOM 114 CB ILE 21 3.043 8.179 1.176 1.00 13.10 ATOM 115 CG1 ILE 21 3.143 9.593 1.734 1.00 99.99 ATOM 116 CG2 ILE 21 2.270 7.300 2.153 1.00 99.99 ATOM 117 CD ILE 21 1.773 10.261 1.678 1.00 99.99 ATOM 118 N CYS 22 3.892 5.246 1.376 1.00 11.93 ATOM 119 CA CYS 22 3.660 3.881 0.968 1.00 11.93 ATOM 120 C CYS 22 2.225 3.532 1.259 1.00 11.93 ATOM 121 O CYS 22 1.657 4.157 2.075 1.00 13.57 ATOM 122 CB CYS 22 4.526 2.966 2.151 1.00 14.82 ATOM 123 SG CYS 22 6.352 3.272 1.912 1.00 17.44 ATOM 124 N TYR 23 1.537 2.940 0.459 1.00 12.24 ATOM 125 CA TYR 23 0.167 2.542 0.621 1.00 12.24 ATOM 126 C TYR 23 -0.208 1.177 0.616 1.00 12.24 ATOM 127 O TYR 23 0.315 0.596 -0.341 1.00 15.61 ATOM 128 CB TYR 23 -1.209 2.958 0.307 1.00 14.98 ATOM 129 CG TYR 23 -1.432 2.703 -1.164 1.00 13.47 ATOM 130 CD1 TYR 23 -1.733 1.412 -1.614 1.00 21.95 ATOM 131 CD2 TYR 23 -1.335 3.758 -2.079 1.00 19.77 ATOM 132 CE1 TYR 23 -1.939 1.176 -2.978 1.00 26.26 ATOM 133 CE2 TYR 23 -1.542 3.521 -3.443 1.00 23.67 ATOM 134 CZ TYR 23 -1.844 2.231 -3.893 1.00 17.67 ATOM 135 OH TYR 23 -2.044 2.002 -5.219 1.00 31.17 ATOM 136 N GLU 24 -1.032 0.657 1.302 1.00 12.47 ATOM 137 CA GLU 24 -1.552 -0.686 1.275 1.00 12.47 ATOM 138 C GLU 24 -3.034 -0.639 0.930 1.00 12.47 ATOM 139 O GLU 24 -3.768 0.299 1.325 1.00 15.98 ATOM 140 CB GLU 24 -1.378 -1.352 2.637 1.00 12.47 ATOM 141 CG GLU 24 0.094 -1.514 2.930 1.00 21.25 ATOM 142 CD GLU 24 0.672 -2.614 2.044 1.00 25.27 ATOM 143 OE1 GLU 24 1.129 -2.270 0.922 1.00 99.99 ATOM 144 OE2 GLU 24 0.650 -3.790 2.497 1.00 99.99 ATOM 145 N MET 25 -3.436 -1.219 -0.066 1.00 13.96 ATOM 146 CA MET 25 -4.832 -1.226 -0.500 1.00 13.96 ATOM 147 C MET 25 -5.449 -2.581 -0.317 1.00 13.96 ATOM 148 O MET 25 -5.157 -3.491 -1.037 1.00 13.96 ATOM 149 CB MET 25 -4.909 -0.824 -1.980 1.00 13.96 ATOM 150 CG MET 25 -6.369 -0.738 -2.410 1.00 20.11 ATOM 151 SD MET 25 -6.489 0.023 -4.048 1.00 23.38 ATOM 152 CE MET 25 -8.244 -0.092 -4.315 1.00 99.99 ATOM 153 N PHE 26 -6.306 -2.718 0.651 1.00 15.08 ATOM 154 CA PHE 26 -6.967 -3.972 0.936 1.00 15.08 ATOM 155 C PHE 26 -8.453 -3.962 0.701 1.00 16.40 ATOM 156 O PHE 26 -9.026 -2.957 0.541 1.00 16.40 ATOM 157 CB PHE 26 -7.243 -3.801 2.607 1.00 19.08 ATOM 158 CG PHE 26 -6.019 -4.336 3.309 1.00 24.93 ATOM 159 CD1 PHE 26 -4.886 -3.528 3.455 1.00 35.28 ATOM 160 CD2 PHE 26 -6.017 -5.642 3.815 1.00 34.63 ATOM 161 CE1 PHE 26 -3.750 -4.024 4.106 1.00 35.28 ATOM 162 CE2 PHE 26 -4.881 -6.138 4.466 1.00 49.21 ATOM 163 CZ PHE 26 -3.749 -5.330 4.612 1.00 49.21 ATOM 164 N MET 27 -8.978 -5.046 0.516 1.00 23.09 ATOM 165 CA MET 27 -10.366 -5.154 0.292 1.00 23.09 ATOM 166 C MET 27 -11.278 -5.538 1.700 1.00 22.53 ATOM 167 O MET 27 -10.871 -6.486 2.163 1.00 25.62 ATOM 168 CB MET 27 -10.714 -6.265 -0.707 1.00 22.53 ATOM 169 CG MET 27 -9.813 -6.060 -1.918 1.00 99.99 ATOM 170 SD MET 27 -10.505 -4.784 -2.998 1.00 99.99 ATOM 171 CE MET 27 -11.821 -5.706 -3.765 1.00 99.99 ATOM 172 N VAL 28 -12.388 -4.567 1.633 1.00 25.97 ATOM 173 CA VAL 28 -13.368 -5.001 3.120 1.00 31.69 ATOM 174 C VAL 28 -14.452 -6.323 2.365 1.00 38.96 ATOM 175 O VAL 28 -15.387 -6.562 3.035 1.00 38.96 ATOM 176 CB VAL 28 -14.185 -3.902 3.431 1.00 31.69 ATOM 177 CG1 VAL 28 -15.066 -4.371 4.585 1.00 99.99 ATOM 178 CG2 VAL 28 -13.245 -2.809 3.921 1.00 99.99 ATOM 179 N ALA 29 -14.374 -6.484 1.098 1.00 33.88 ATOM 180 CA ALA 29 -15.374 -7.385 0.716 1.00 33.88 ATOM 181 C ALA 29 -15.805 -8.719 1.332 1.00 39.79 ATOM 182 O ALA 29 -16.875 -9.092 1.480 1.00 39.79 ATOM 183 CB ALA 29 -15.175 -7.977 -0.576 1.00 33.88 ATOM 184 N THR 30 -14.836 -9.170 1.899 1.00 41.56 ATOM 185 CA THR 30 -16.149 -10.512 2.847 1.00 51.94 ATOM 186 C THR 30 -15.039 -11.277 3.586 1.00 51.94 ATOM 187 O THR 30 -14.993 -11.267 4.800 1.00 51.94 ATOM 188 CB THR 30 -16.929 -11.438 2.115 1.00 51.94 ATOM 189 OG1 THR 30 -18.160 -10.756 1.860 1.00 51.94 ATOM 190 CG2 THR 30 -17.209 -12.708 2.911 1.00 51.94 ATOM 191 N PRO 31 -14.172 -11.910 2.834 1.00 51.94 ATOM 192 CA PRO 31 -13.048 -12.675 3.401 1.00 51.94 ATOM 193 C PRO 31 -11.934 -11.724 3.847 1.00 51.94 ATOM 194 O PRO 31 -11.020 -12.108 4.550 1.00 51.94 ATOM 195 CB PRO 31 -12.657 -13.514 2.234 1.00 51.94 ATOM 196 CG PRO 31 -13.134 -12.738 1.030 1.00 51.94 ATOM 197 CD PRO 31 -14.158 -12.012 1.262 1.00 51.94 ATOM 198 N LYS 32 -12.002 -10.484 3.442 1.00 55.00 ATOM 199 CA LYS 32 -10.946 -9.510 3.840 1.00 55.00 ATOM 200 C LYS 32 -9.598 -9.974 3.288 1.00 55.00 ATOM 201 O LYS 32 -9.149 -11.069 3.566 1.00 55.00 ATOM 202 CB LYS 32 -11.013 -9.521 5.351 1.00 55.00 ATOM 203 CG LYS 32 -12.127 -8.577 5.788 1.00 55.00 ATOM 204 CD LYS 32 -12.329 -8.692 7.295 1.00 55.00 ATOM 205 CE LYS 32 -13.477 -7.785 7.725 1.00 55.00 ATOM 206 NZ LYS 32 -13.157 -6.392 7.379 1.00 55.00 ATOM 207 N VAL 33 -8.599 -8.791 2.601 1.00 41.56 ATOM 208 CA VAL 33 -7.481 -9.332 1.843 1.00 41.56 ATOM 209 C VAL 33 -5.857 -8.340 1.398 1.00 30.56 ATOM 210 O VAL 33 -6.588 -7.776 0.714 1.00 30.56 ATOM 211 CB VAL 33 -7.906 -9.813 0.417 1.00 41.56 ATOM 212 CG1 VAL 33 -6.794 -10.467 -0.398 1.00 41.56 ATOM 213 CG2 VAL 33 -9.032 -10.815 0.635 1.00 99.99 ATOM 214 N PRO 34 -4.644 -7.974 1.549 1.00 24.22 ATOM 215 CA PRO 34 -4.040 -6.814 1.118 1.00 21.15 ATOM 216 C PRO 34 -3.879 -7.164 -0.351 1.00 21.15 ATOM 217 O PRO 34 -4.109 -8.377 -1.247 1.00 29.59 ATOM 218 CB PRO 34 -2.879 -7.231 1.726 1.00 24.22 ATOM 219 CG PRO 34 -3.063 -8.694 2.051 1.00 35.28 ATOM 220 CD PRO 34 -4.284 -9.040 2.180 1.00 35.28 ATOM 221 N CYS 35 -4.144 -6.797 -1.670 1.00 22.75 ATOM 222 CA CYS 35 -3.995 -6.750 -2.472 1.00 18.09 ATOM 223 C CYS 35 -3.225 -5.866 -3.327 1.00 16.32 ATOM 224 O CYS 35 -2.525 -6.345 -4.106 1.00 17.71 ATOM 225 CB CYS 35 -5.433 -6.788 -3.423 1.00 21.20 ATOM 226 SG CYS 35 -6.597 -8.108 -3.003 1.00 99.99 ATOM 227 N GLU 36 -3.149 -4.661 -3.039 1.00 17.41 ATOM 228 CA GLU 36 -2.285 -3.741 -3.705 1.00 17.41 ATOM 229 C GLU 36 -1.427 -3.001 -2.696 1.00 17.41 ATOM 230 O GLU 36 -1.859 -2.600 -1.765 1.00 18.37 ATOM 231 CB GLU 36 -3.104 -2.720 -4.503 1.00 18.37 ATOM 232 CG GLU 36 -3.858 -3.429 -5.602 1.00 19.85 ATOM 233 CD GLU 36 -2.883 -3.854 -6.697 1.00 24.54 ATOM 234 OE1 GLU 36 -2.355 -4.992 -6.588 1.00 99.99 ATOM 235 OE2 GLU 36 -2.673 -3.036 -7.633 1.00 99.99 ATOM 236 N ARG 37 -0.227 -2.784 -2.981 1.00 16.35 ATOM 237 CA ARG 37 0.739 -2.099 -2.120 1.00 16.35 ATOM 238 C ARG 37 1.668 -1.307 -3.013 1.00 16.35 ATOM 239 O ARG 37 2.113 -1.732 -4.019 1.00 17.19 ATOM 240 CB ARG 37 1.575 -3.140 -1.214 1.00 17.19 ATOM 241 CG ARG 37 0.793 -3.944 -0.181 1.00 16.35 ATOM 242 CD ARG 37 1.700 -5.010 0.426 1.00 21.44 ATOM 243 NE ARG 37 0.943 -5.887 1.347 1.00 30.66 ATOM 244 CZ ARG 37 0.147 -6.866 0.923 1.00 37.40 ATOM 245 NH1 ARG 37 -0.026 -7.125 -0.370 1.00 50.54 ATOM 246 NH2 ARG 37 -0.487 -7.595 1.838 1.00 37.40 ATOM 247 N GLY 38 1.900 -0.145 -2.802 1.00 15.79 ATOM 248 CA GLY 38 2.779 0.654 -3.632 1.00 15.79 ATOM 249 C GLY 38 3.127 2.004 -3.055 1.00 15.79 ATOM 250 O GLY 38 2.790 2.357 -1.977 1.00 18.05 ATOM 251 N CYS 39 3.675 2.856 -3.768 1.00 16.01 ATOM 252 CA CYS 39 4.062 4.201 -3.318 1.00 16.01 ATOM 253 C CYS 39 3.140 5.251 -3.874 1.00 16.01 ATOM 254 O CYS 39 2.622 5.170 -4.983 1.00 18.37 ATOM 255 CB CYS 39 5.459 4.507 -3.735 1.00 16.01 ATOM 256 SG CYS 39 6.779 3.250 -3.429 1.00 18.37 ATOM 257 N ILE 40 2.721 6.153 -3.084 1.00 13.87 ATOM 258 CA ILE 40 1.770 7.171 -3.488 1.00 13.87 ATOM 259 C ILE 40 2.036 8.496 -2.811 1.00 13.87 ATOM 260 O ILE 40 2.864 8.631 -1.977 1.00 13.87 ATOM 261 CB ILE 40 0.342 6.710 -3.143 1.00 15.87 ATOM 262 CG1 ILE 40 0.056 5.369 -3.809 1.00 20.96 ATOM 263 CG2 ILE 40 -0.667 7.746 -3.629 1.00 17.61 ATOM 264 CD ILE 40 -1.232 4.783 -3.241 1.00 99.99 ATOM 265 N ASP 41 1.395 9.509 -3.857 1.00 16.85 ATOM 266 CA ASP 41 1.420 10.829 -3.390 1.00 16.85 ATOM 267 C ASP 41 0.530 11.112 -2.040 1.00 15.15 ATOM 268 O ASP 41 0.719 12.057 -1.577 1.00 17.74 ATOM 269 CB ASP 41 -0.107 11.406 -3.956 1.00 20.11 ATOM 270 CG ASP 41 0.058 11.720 -5.441 1.00 24.87 ATOM 271 OD1 ASP 41 -0.365 10.863 -6.262 1.00 32.24 ATOM 272 OD2 ASP 41 0.610 12.813 -5.740 1.00 32.24 ATOM 273 N VAL 42 -0.643 10.673 -2.168 1.00 15.06 ATOM 274 CA VAL 42 -1.586 10.942 -1.034 1.00 17.54 ATOM 275 C VAL 42 -2.576 9.706 -1.130 1.00 14.56 ATOM 276 O VAL 42 -2.734 8.958 -1.612 1.00 12.81 ATOM 277 CB VAL 42 -2.865 11.942 -1.780 1.00 21.35 ATOM 278 CG1 VAL 42 -2.331 13.336 -1.465 1.00 23.67 ATOM 279 CG2 VAL 42 -2.979 11.771 -3.290 1.00 24.80 ATOM 280 N CYS 43 -3.173 9.613 0.003 1.00 14.98 ATOM 281 CA CYS 43 -4.095 8.338 0.532 1.00 13.13 ATOM 282 C CYS 43 -5.338 8.873 0.148 1.00 14.98 ATOM 283 O CYS 43 -6.072 9.603 0.743 1.00 21.20 ATOM 284 CB CYS 43 -4.010 8.728 1.828 1.00 21.20 ATOM 285 SG CYS 43 -3.667 7.261 2.315 1.00 27.02 ATOM 286 N PRO 44 -6.278 9.856 -0.385 1.00 27.91 ATOM 287 CA PRO 44 -7.533 10.437 -0.150 1.00 27.91 ATOM 288 C PRO 44 -8.548 8.236 -1.307 1.00 24.10 ATOM 289 O PRO 44 -9.686 9.061 -2.469 1.00 45.61 ATOM 290 CB PRO 44 -7.879 11.012 -1.814 1.00 37.10 ATOM 291 CG PRO 44 -6.622 10.752 -2.608 1.00 37.10 ATOM 292 CD PRO 44 -5.643 10.341 -1.899 1.00 27.91 ATOM 293 N GLU 45 -8.541 7.675 -1.175 1.00 24.35 ATOM 294 CA GLU 45 -9.928 7.366 -0.299 1.00 20.59 ATOM 295 C GLU 45 -10.445 6.354 0.305 1.00 17.58 ATOM 296 O GLU 45 -9.596 5.962 0.692 1.00 25.41 ATOM 297 CB GLU 45 -11.039 8.021 -1.351 1.00 99.99 ATOM 298 CG GLU 45 -10.734 9.391 -1.905 1.00 99.99 ATOM 299 CD GLU 45 -10.955 10.441 -0.818 1.00 99.99 ATOM 300 OE1 GLU 45 -9.971 10.729 -0.087 1.00 99.99 ATOM 301 OE2 GLU 45 -12.107 10.945 -0.730 1.00 99.99 ATOM 302 N SER 46 -11.049 5.826 1.027 1.00 16.35 ATOM 303 CA SER 46 -11.466 4.621 1.429 1.00 16.35 ATOM 304 C SER 46 -12.881 4.389 1.018 1.00 16.35 ATOM 305 O SER 46 -13.610 5.165 0.889 1.00 16.35 ATOM 306 CB SER 46 -11.315 4.537 2.842 1.00 16.35 ATOM 307 OG SER 46 -12.341 5.623 3.538 1.00 44.52 ATOM 308 N SER 47 -13.182 3.229 0.541 1.00 19.32 ATOM 309 CA SER 47 -14.593 2.951 0.382 1.00 16.04 ATOM 310 C SER 47 -15.165 1.949 1.358 1.00 16.35 ATOM 311 O SER 47 -14.733 1.722 2.347 1.00 24.04 ATOM 312 CB SER 47 -14.732 2.611 -0.724 1.00 19.16 ATOM 313 OG SER 47 -14.614 1.395 -1.231 1.00 24.04 ATOM 314 N LEU 48 -16.175 1.394 1.052 1.00 16.23 ATOM 315 CA LEU 48 -16.805 0.434 1.949 1.00 16.23 ATOM 316 C LEU 48 -16.323 -0.944 1.661 1.00 16.23 ATOM 317 O LEU 48 -16.306 -1.764 2.513 1.00 16.23 ATOM 318 CB LEU 48 -17.783 0.250 3.099 1.00 23.79 ATOM 319 CG LEU 48 -18.986 0.832 2.365 1.00 23.38 ATOM 320 CD1 LEU 48 -18.509 1.863 1.346 1.00 44.52 ATOM 321 CD2 LEU 48 -19.734 -0.285 1.647 1.00 23.38 ATOM 322 N ILE 49 -15.937 -1.190 0.464 1.00 16.52 ATOM 323 CA ILE 49 -15.484 -2.501 0.037 1.00 16.52 ATOM 324 C ILE 49 -13.990 -2.534 -0.071 1.00 16.52 ATOM 325 O ILE 49 -13.445 -3.500 -0.042 1.00 16.52 ATOM 326 CB ILE 49 -16.101 -2.842 -1.326 1.00 16.52 ATOM 327 CG1 ILE 49 -17.622 -2.795 -1.233 1.00 99.99 ATOM 328 CG2 ILE 49 -15.661 -4.240 -1.751 1.00 99.99 ATOM 329 CD ILE 49 -18.225 -3.056 -2.610 1.00 99.99 ATOM 330 N VAL 50 -13.338 -1.498 -0.185 1.00 16.52 ATOM 331 CA VAL 50 -11.682 -1.351 -0.498 1.00 14.19 ATOM 332 C VAL 50 -11.067 -0.183 0.597 1.00 15.20 ATOM 333 O VAL 50 -11.671 0.783 0.360 1.00 14.19 ATOM 334 CB VAL 50 -11.596 -1.112 -1.845 1.00 16.52 ATOM 335 CG1 VAL 50 -12.014 -2.340 -2.647 1.00 16.52 ATOM 336 CG2 VAL 50 -12.484 0.068 -2.222 1.00 31.38 ATOM 337 N LYS 51 -10.288 -0.591 1.378 1.00 13.30 ATOM 338 CA LYS 51 -9.725 0.237 2.395 1.00 13.30 ATOM 339 C LYS 51 -8.273 0.460 2.074 1.00 13.30 ATOM 340 O LYS 51 -7.670 -0.321 1.641 1.00 13.30 ATOM 341 CB LYS 51 -9.348 -0.853 3.543 1.00 13.30 ATOM 342 CG LYS 51 -10.573 -1.075 4.422 1.00 17.98 ATOM 343 CD LYS 51 -10.146 -1.719 5.737 1.00 27.34 ATOM 344 CE LYS 51 -9.799 -3.184 5.497 1.00 31.38 ATOM 345 NZ LYS 51 -9.715 -3.885 6.786 1.00 44.52 ATOM 346 N TYR 52 -7.722 1.532 2.269 1.00 13.24 ATOM 347 CA TYR 52 -6.331 1.864 2.015 1.00 13.24 ATOM 348 C TYR 52 -5.625 2.278 3.302 1.00 13.24 ATOM 349 O TYR 52 -6.010 2.893 4.241 1.00 15.01 ATOM 350 CB TYR 52 -6.244 3.016 1.008 1.00 13.24 ATOM 351 CG TYR 52 -6.837 2.582 -0.310 1.00 99.99 ATOM 352 CD1 TYR 52 -8.206 2.746 -0.550 1.00 99.99 ATOM 353 CD2 TYR 52 -6.017 2.016 -1.294 1.00 99.99 ATOM 354 CE1 TYR 52 -8.756 2.344 -1.774 1.00 99.99 ATOM 355 CE2 TYR 52 -6.567 1.614 -2.517 1.00 99.99 ATOM 356 CZ TYR 52 -7.936 1.778 -2.757 1.00 99.99 ATOM 357 OH TYR 52 -8.470 1.387 -3.946 1.00 99.99 ATOM 358 N VAL 53 -4.522 1.823 3.560 1.00 12.69 ATOM 359 CA VAL 53 -3.680 2.165 4.725 1.00 13.28 ATOM 360 C VAL 53 -2.415 2.842 4.186 1.00 13.28 ATOM 361 O VAL 53 -1.556 2.182 3.666 1.00 14.98 ATOM 362 CB VAL 53 -3.407 0.861 5.532 1.00 13.28 ATOM 363 CG1 VAL 53 -2.548 1.147 6.761 1.00 30.16 ATOM 364 CG2 VAL 53 -4.736 0.258 5.972 1.00 23.97 ATOM 365 N CYS 54 -2.296 4.240 4.330 1.00 15.11 ATOM 366 CA CYS 54 -1.145 5.024 3.871 1.00 15.11 ATOM 367 C CYS 54 -0.199 5.293 5.024 1.00 15.11 ATOM 368 O CYS 54 -0.390 5.752 6.132 1.00 17.84 ATOM 369 CB CYS 54 -1.636 6.319 3.278 1.00 15.11 ATOM 370 SG CYS 54 -2.971 6.370 3.078 1.00 22.75 ATOM 371 N CYS 55 1.143 5.029 4.923 1.00 13.91 ATOM 372 CA CYS 55 2.187 5.239 5.940 1.00 13.91 ATOM 373 C CYS 55 3.332 6.029 5.341 1.00 13.91 ATOM 374 O CYS 55 3.304 6.236 4.051 1.00 17.12 ATOM 375 CB CYS 55 2.663 3.955 6.508 1.00 13.91 ATOM 376 SG CYS 55 3.506 3.729 7.617 1.00 24.67 ATOM 377 N ASN 56 4.267 6.576 5.975 1.00 17.09 ATOM 378 CA ASN 56 5.407 7.350 5.448 1.00 17.09 ATOM 379 C ASN 56 6.626 7.011 5.845 1.00 17.09 ATOM 380 O ASN 56 7.626 8.071 5.998 1.00 22.05 ATOM 381 CB ASN 56 5.439 8.883 5.412 1.00 17.09 ATOM 382 CG ASN 56 6.265 9.496 4.291 1.00 42.50 ATOM 383 OD1 ASN 56 5.721 10.145 3.399 1.00 42.50 ATOM 384 ND2 ASN 56 7.582 9.286 4.335 1.00 42.50 ATOM 385 N THR 57 6.648 5.992 6.806 1.00 20.69 ATOM 386 CA THR 57 7.831 5.924 8.142 1.00 27.99 ATOM 387 C THR 57 8.741 5.330 7.946 1.00 29.78 ATOM 388 O THR 57 9.693 5.686 8.998 1.00 34.50 ATOM 389 CB THR 57 6.711 5.439 9.249 1.00 27.02 ATOM 390 OG1 THR 57 5.317 5.745 9.167 1.00 27.02 ATOM 391 CG2 THR 57 7.282 6.015 10.540 1.00 34.50 ATOM 392 N ASP 58 8.819 5.104 7.118 1.00 35.82 ATOM 393 CA ASP 58 9.982 4.392 6.583 1.00 35.82 ATOM 394 C ASP 58 9.843 3.328 6.556 1.00 35.82 ATOM 395 O ASP 58 10.096 2.941 8.496 1.00 46.75 ATOM 396 CB ASP 58 10.915 5.135 6.167 1.00 35.82 ATOM 397 CG ASP 58 11.592 4.616 4.901 1.00 35.28 ATOM 398 OD1 ASP 58 11.048 4.895 3.800 1.00 35.28 ATOM 399 OD2 ASP 58 12.648 3.942 5.048 1.00 35.28 ATOM 400 N ARG 59 9.643 2.205 6.257 1.00 37.25 ATOM 401 CA ARG 59 10.096 0.484 7.398 1.00 49.21 ATOM 402 C ARG 59 8.772 0.205 8.112 1.00 49.21 ATOM 403 O ARG 59 8.632 -0.772 8.820 1.00 49.21 ATOM 404 CB ARG 59 11.465 0.480 8.238 1.00 49.21 ATOM 405 CG ARG 59 11.798 -0.999 8.400 1.00 49.21 ATOM 406 CD ARG 59 13.047 -1.148 9.261 1.00 49.21 ATOM 407 NE ARG 59 12.765 -0.803 10.671 1.00 49.21 ATOM 408 CZ ARG 59 13.667 -0.924 11.641 1.00 49.21 ATOM 409 NH1 ARG 59 14.897 -1.370 11.409 1.00 49.21 ATOM 410 NH2 ARG 59 13.306 -0.583 12.876 1.00 49.21 ATOM 411 N CYS 60 7.795 1.052 7.928 1.00 51.94 ATOM 412 CA CYS 60 6.481 0.828 8.592 1.00 51.94 ATOM 413 C CYS 60 5.562 0.051 7.648 1.00 51.94 ATOM 414 O CYS 60 4.097 -0.868 7.264 1.00 38.80 ATOM 415 CB CYS 60 5.844 2.178 8.933 1.00 51.94 ATOM 416 SG CYS 60 5.108 2.609 7.426 1.00 38.80