USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 THR OG1 : rot 171:sc= 0.179 USER MOD Set 1.2: A 77 THR OG1 : rot -33:sc= 0.722 USER MOD Set 2.1: A 53 ASN : amide:sc= -5.42! C(o=-16!,f=-14!) USER MOD Set 2.2: A 54 GLN : amide:sc= -10.1! C(o=-16!,f=-8!) USER MOD Set 3.1: A 35 GLN : amide:sc= -3.17! C(o=-0.27!,f=-1.7!) USER MOD Set 3.2: A 50 TYR OH : rot 112:sc= 0.775 USER MOD Set 3.3: A 94 TYR OH : rot -150:sc= 2.13 USER MOD Set 4.1: A 37 TYR OH : rot -127:sc= 1.13 USER MOD Set 4.2: A 47 THR OG1 : rot -51:sc= 0.301! USER MOD Set 5.1: A 31 SER OG : rot 30:sc= -0.0347 USER MOD Set 5.2: A 32 ASN : amide:sc= -4.55! C(o=-4.6!,f=-15!) USER MOD Set 6.1: A 13 SER OG : rot -170:sc= 0.00922 USER MOD Set 6.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 6 GLN : amide:sc= -12.3! C(o=-12!,f=-8.7!) USER MOD Set 7.2: A 106 THR OG1 : rot 91:sc= -0.165 USER MOD Single : A 3 MET CE :methyl -146:sc= -0.243 (180deg=-1.44!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0.396 K(o=0.4,f=-3.8!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000634 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 25 SER OG : rot -123:sc= 1.1 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -126:sc= 0.447 USER MOD Single : A 38 GLN : amide:sc= -5.17! C(o=-5.2!,f=-8.4!) USER MOD Single : A 39 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 46 THR OG1 : rot 13:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -39:sc= 0.557 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -1.04! USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 125:sc= 0.238 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= -0.127 (180deg=-0.871) USER MOD Single : A 83 THR OG1 : rot -20:sc= 0.248 USER MOD Single : A 89 TYR OH : rot -20:sc= -2.77! USER MOD Single : A 90 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 92 GLN : amide:sc= -0.0771 K(o=-0.077,f=-0.89) USER MOD Single : A 93 SER OG : rot 34:sc= 0.514 USER MOD Single : A 107 LYS NZ :NH3+ -164:sc=-0.00867 (180deg=-0.366) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 83.383 14.236 7.692 1.00 0.00 N ATOM 38 CA MET A 3 84.367 13.266 7.216 1.00 0.00 C ATOM 39 C MET A 3 83.760 11.865 7.189 1.00 0.00 C ATOM 40 O MET A 3 82.651 11.647 7.677 1.00 0.00 O ATOM 41 CB MET A 3 85.604 13.296 8.123 1.00 0.00 C ATOM 42 CG MET A 3 86.698 14.179 7.517 1.00 0.00 C ATOM 43 SD MET A 3 87.510 13.288 6.165 1.00 0.00 S ATOM 44 CE MET A 3 88.339 12.017 7.152 1.00 0.00 C ATOM 0 HA MET A 3 84.665 13.530 6.201 1.00 0.00 H new ATOM 0 HB2 MET A 3 85.330 13.673 9.108 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.983 12.284 8.263 1.00 0.00 H new ATOM 0 HG2 MET A 3 86.267 15.109 7.147 1.00 0.00 H new ATOM 0 HG3 MET A 3 87.428 14.448 8.280 1.00 0.00 H new ATOM 0 HE1 MET A 3 89.295 11.765 6.692 1.00 0.00 H new ATOM 0 HE2 MET A 3 88.509 12.393 8.161 1.00 0.00 H new ATOM 0 HE3 MET A 3 87.713 11.126 7.198 1.00 0.00 H new ATOM 54 N LEU A 4 84.469 10.934 6.554 1.00 0.00 N ATOM 55 CA LEU A 4 84.049 9.536 6.523 1.00 0.00 C ATOM 56 C LEU A 4 85.165 8.658 7.077 1.00 0.00 C ATOM 57 O LEU A 4 86.141 8.362 6.387 1.00 0.00 O ATOM 58 CB LEU A 4 83.716 9.102 5.090 1.00 0.00 C ATOM 59 CG LEU A 4 82.286 9.501 4.703 1.00 0.00 C ATOM 60 CD1 LEU A 4 82.192 11.000 4.397 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.833 8.686 3.487 1.00 0.00 C ATOM 0 H LEU A 4 85.338 11.123 6.054 1.00 0.00 H new ATOM 0 HA LEU A 4 83.154 9.426 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 4 84.423 9.558 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.831 8.022 4.999 1.00 0.00 H new ATOM 0 HG LEU A 4 81.630 9.289 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 4 81.167 11.252 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 4 82.485 11.570 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.857 11.245 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.817 8.972 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.502 8.881 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 4 81.858 7.624 3.731 1.00 0.00 H new ATOM 73 N THR A 5 84.948 8.132 8.276 1.00 0.00 N ATOM 74 CA THR A 5 85.966 7.309 8.916 1.00 0.00 C ATOM 75 C THR A 5 85.961 5.908 8.314 1.00 0.00 C ATOM 76 O THR A 5 84.968 5.184 8.405 1.00 0.00 O ATOM 77 CB THR A 5 85.705 7.231 10.424 1.00 0.00 C ATOM 78 OG1 THR A 5 85.129 8.454 10.862 1.00 0.00 O ATOM 79 CG2 THR A 5 87.017 6.981 11.172 1.00 0.00 C ATOM 0 H THR A 5 84.092 8.257 8.817 1.00 0.00 H new ATOM 0 HA THR A 5 86.943 7.762 8.748 1.00 0.00 H new ATOM 0 HB THR A 5 85.021 6.408 10.630 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.958 8.409 11.826 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.821 6.927 12.243 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.454 6.041 10.836 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.712 7.797 10.971 1.00 0.00 H new ATOM 87 N GLN A 6 87.043 5.560 7.623 1.00 0.00 N ATOM 88 CA GLN A 6 87.182 4.218 7.065 1.00 0.00 C ATOM 89 C GLN A 6 88.619 3.723 7.217 1.00 0.00 C ATOM 90 O GLN A 6 89.554 4.522 7.180 1.00 0.00 O ATOM 91 CB GLN A 6 86.781 4.242 5.585 1.00 0.00 C ATOM 92 CG GLN A 6 85.268 4.053 5.440 1.00 0.00 C ATOM 93 CD GLN A 6 84.887 3.938 3.968 1.00 0.00 C ATOM 94 OE1 GLN A 6 85.641 4.376 3.101 1.00 0.00 O ATOM 95 NE2 GLN A 6 83.847 3.225 3.632 1.00 0.00 N ATOM 0 H GLN A 6 87.830 6.182 7.437 1.00 0.00 H new ATOM 0 HA GLN A 6 86.528 3.534 7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 6 87.081 5.189 5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 6 87.306 3.453 5.046 1.00 0.00 H new ATOM 0 HG2 GLN A 6 84.954 3.157 5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 6 84.745 4.895 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.223 2.863 4.353 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.658 3.030 2.649 1.00 0.00 H new ATOM 104 N PRO A 7 88.827 2.434 7.182 1.00 0.00 N ATOM 105 CA PRO A 7 90.193 1.854 7.291 1.00 0.00 C ATOM 106 C PRO A 7 91.115 2.466 6.242 1.00 0.00 C ATOM 107 O PRO A 7 90.741 2.586 5.076 1.00 0.00 O ATOM 108 CB PRO A 7 90.005 0.346 7.072 1.00 0.00 C ATOM 109 CG PRO A 7 88.544 0.100 6.864 1.00 0.00 C ATOM 110 CD PRO A 7 87.792 1.388 7.210 1.00 0.00 C ATOM 0 HA PRO A 7 90.658 2.058 8.256 1.00 0.00 H new ATOM 0 HB2 PRO A 7 90.577 0.010 6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 7 90.369 -0.215 7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 7 88.350 -0.189 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 7 88.203 -0.721 7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 7 87.001 1.592 6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 7 87.320 1.322 8.190 1.00 0.00 H new ATOM 118 N HIS A 8 92.358 2.718 6.633 1.00 0.00 N ATOM 119 CA HIS A 8 93.341 3.265 5.706 1.00 0.00 C ATOM 120 C HIS A 8 93.619 2.247 4.602 1.00 0.00 C ATOM 121 O HIS A 8 93.614 2.575 3.415 1.00 0.00 O ATOM 122 CB HIS A 8 94.636 3.646 6.440 1.00 0.00 C ATOM 123 CG HIS A 8 94.453 3.517 7.928 1.00 0.00 C ATOM 124 ND1 HIS A 8 94.218 2.295 8.537 1.00 0.00 N ATOM 125 CD2 HIS A 8 94.377 4.455 8.931 1.00 0.00 C ATOM 126 CE1 HIS A 8 94.083 2.517 9.856 1.00 0.00 C ATOM 127 NE2 HIS A 8 94.224 3.811 10.158 1.00 0.00 N ATOM 0 H HIS A 8 92.707 2.554 7.577 1.00 0.00 H new ATOM 0 HA HIS A 8 92.940 4.174 5.258 1.00 0.00 H new ATOM 0 HB2 HIS A 8 95.451 3.002 6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.916 4.669 6.189 1.00 0.00 H new ATOM 0 HD2 HIS A 8 94.428 5.525 8.790 1.00 0.00 H new ATOM 0 HE1 HIS A 8 93.885 1.743 10.583 1.00 0.00 H new ATOM 0 HE2 HIS A 8 94.220 4.236 11.085 1.00 0.00 H new ATOM 135 N SER A 9 93.884 1.010 5.011 1.00 0.00 N ATOM 136 CA SER A 9 94.192 -0.055 4.063 1.00 0.00 C ATOM 137 C SER A 9 94.091 -1.414 4.751 1.00 0.00 C ATOM 138 O SER A 9 94.733 -1.647 5.776 1.00 0.00 O ATOM 139 CB SER A 9 95.596 0.164 3.487 1.00 0.00 C ATOM 140 OG SER A 9 96.400 0.842 4.442 1.00 0.00 O ATOM 0 H SER A 9 93.892 0.721 5.989 1.00 0.00 H new ATOM 0 HA SER A 9 93.472 -0.035 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 9 96.048 -0.794 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.537 0.746 2.567 1.00 0.00 H new ATOM 0 HG SER A 9 97.298 0.980 4.074 1.00 0.00 H new ATOM 146 N VAL A 10 93.344 -2.330 4.142 1.00 0.00 N ATOM 147 CA VAL A 10 93.172 -3.669 4.697 1.00 0.00 C ATOM 148 C VAL A 10 93.221 -4.710 3.583 1.00 0.00 C ATOM 149 O VAL A 10 93.059 -4.378 2.409 1.00 0.00 O ATOM 150 CB VAL A 10 91.838 -3.763 5.441 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.674 -3.412 4.511 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.652 -5.183 5.980 1.00 0.00 C ATOM 0 H VAL A 10 92.848 -2.170 3.265 1.00 0.00 H new ATOM 0 HA VAL A 10 93.983 -3.864 5.399 1.00 0.00 H new ATOM 0 HB VAL A 10 91.849 -3.053 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.735 -3.485 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.799 -2.395 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.658 -4.106 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 10 90.702 -5.249 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.655 -5.890 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.466 -5.422 6.664 1.00 0.00 H new ATOM 162 N SER A 11 93.449 -5.966 3.956 1.00 0.00 N ATOM 163 CA SER A 11 93.523 -7.050 2.985 1.00 0.00 C ATOM 164 C SER A 11 92.909 -8.323 3.554 1.00 0.00 C ATOM 165 O SER A 11 92.848 -8.508 4.769 1.00 0.00 O ATOM 166 CB SER A 11 94.985 -7.302 2.612 1.00 0.00 C ATOM 167 OG SER A 11 95.702 -7.734 3.759 1.00 0.00 O ATOM 0 H SER A 11 93.586 -6.257 4.924 1.00 0.00 H new ATOM 0 HA SER A 11 92.962 -6.763 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.046 -8.056 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.431 -6.391 2.214 1.00 0.00 H new ATOM 0 HG SER A 11 96.638 -7.897 3.518 1.00 0.00 H new ATOM 173 N GLU A 12 92.455 -9.204 2.667 1.00 0.00 N ATOM 174 CA GLU A 12 91.818 -10.450 3.080 1.00 0.00 C ATOM 175 C GLU A 12 92.259 -11.591 2.168 1.00 0.00 C ATOM 176 O GLU A 12 92.715 -11.359 1.048 1.00 0.00 O ATOM 177 CB GLU A 12 90.294 -10.300 3.018 1.00 0.00 C ATOM 178 CG GLU A 12 89.640 -11.263 4.011 1.00 0.00 C ATOM 179 CD GLU A 12 89.839 -10.752 5.435 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.118 -9.573 5.587 1.00 0.00 O ATOM 181 OE2 GLU A 12 89.629 -11.525 6.355 1.00 0.00 O ATOM 0 H GLU A 12 92.517 -9.078 1.657 1.00 0.00 H new ATOM 0 HA GLU A 12 92.117 -10.677 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.010 -9.274 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 12 89.939 -10.507 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.576 -11.356 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.075 -12.257 3.908 1.00 0.00 H new ATOM 188 N SER A 13 92.237 -12.812 2.695 1.00 0.00 N ATOM 189 CA SER A 13 92.704 -13.957 1.920 1.00 0.00 C ATOM 190 C SER A 13 91.665 -14.340 0.866 1.00 0.00 C ATOM 191 O SER A 13 90.467 -14.330 1.151 1.00 0.00 O ATOM 192 CB SER A 13 93.005 -15.149 2.835 1.00 0.00 C ATOM 193 OG SER A 13 93.479 -14.673 4.086 1.00 0.00 O ATOM 0 H SER A 13 91.908 -13.032 3.635 1.00 0.00 H new ATOM 0 HA SER A 13 93.628 -13.676 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.106 -15.748 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.750 -15.797 2.374 1.00 0.00 H new ATOM 0 HG SER A 13 93.820 -15.425 4.614 1.00 0.00 H new ATOM 199 N PRO A 14 92.070 -14.733 -0.314 1.00 0.00 N ATOM 200 CA PRO A 14 91.111 -15.188 -1.360 1.00 0.00 C ATOM 201 C PRO A 14 90.187 -16.282 -0.826 1.00 0.00 C ATOM 202 O PRO A 14 90.611 -17.428 -0.665 1.00 0.00 O ATOM 203 CB PRO A 14 91.985 -15.702 -2.515 1.00 0.00 C ATOM 204 CG PRO A 14 93.419 -15.496 -2.135 1.00 0.00 C ATOM 205 CD PRO A 14 93.470 -14.817 -0.763 1.00 0.00 C ATOM 0 HA PRO A 14 90.453 -14.382 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.788 -16.758 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.754 -15.167 -3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.943 -16.451 -2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.923 -14.881 -2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 14 94.073 -15.394 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.920 -13.827 -0.832 1.00 0.00 H new ATOM 213 N GLY A 15 88.891 -15.983 -0.751 1.00 0.00 N ATOM 214 CA GLY A 15 87.891 -16.978 -0.374 1.00 0.00 C ATOM 215 C GLY A 15 87.343 -16.708 1.025 1.00 0.00 C ATOM 216 O GLY A 15 86.557 -17.492 1.559 1.00 0.00 O ATOM 0 H GLY A 15 88.509 -15.058 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.074 -16.968 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.334 -17.973 -0.408 1.00 0.00 H new ATOM 220 N LYS A 16 87.827 -15.637 1.650 1.00 0.00 N ATOM 221 CA LYS A 16 87.371 -15.249 2.982 1.00 0.00 C ATOM 222 C LYS A 16 86.313 -14.153 2.895 1.00 0.00 C ATOM 223 O LYS A 16 86.210 -13.452 1.890 1.00 0.00 O ATOM 224 CB LYS A 16 88.570 -14.757 3.796 1.00 0.00 C ATOM 225 CG LYS A 16 89.311 -15.937 4.427 1.00 0.00 C ATOM 226 CD LYS A 16 90.353 -15.413 5.413 1.00 0.00 C ATOM 227 CE LYS A 16 91.177 -16.592 5.932 1.00 0.00 C ATOM 228 NZ LYS A 16 92.196 -16.105 6.903 1.00 0.00 N ATOM 0 H LYS A 16 88.537 -15.021 1.254 1.00 0.00 H new ATOM 0 HA LYS A 16 86.922 -16.114 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.248 -14.196 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.232 -14.074 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.606 -16.591 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.794 -16.533 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.001 -14.685 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.864 -14.900 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 16 90.524 -17.321 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 16 91.666 -17.100 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 92.754 -16.910 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 92.827 -15.425 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 91.720 -15.640 7.702 1.00 0.00 H new ATOM 242 N THR A 17 85.551 -13.976 3.970 1.00 0.00 N ATOM 243 CA THR A 17 84.533 -12.929 4.013 1.00 0.00 C ATOM 244 C THR A 17 85.089 -11.648 4.627 1.00 0.00 C ATOM 245 O THR A 17 85.760 -11.680 5.659 1.00 0.00 O ATOM 246 CB THR A 17 83.333 -13.405 4.834 1.00 0.00 C ATOM 247 OG1 THR A 17 83.771 -13.807 6.124 1.00 0.00 O ATOM 248 CG2 THR A 17 82.676 -14.586 4.119 1.00 0.00 C ATOM 0 H THR A 17 85.617 -14.539 4.818 1.00 0.00 H new ATOM 0 HA THR A 17 84.222 -12.718 2.990 1.00 0.00 H new ATOM 0 HB THR A 17 82.611 -12.595 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.002 -14.110 6.651 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.820 -14.931 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.343 -14.273 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.397 -15.397 4.019 1.00 0.00 H new ATOM 256 N VAL A 18 84.801 -10.521 3.982 1.00 0.00 N ATOM 257 CA VAL A 18 85.261 -9.221 4.460 1.00 0.00 C ATOM 258 C VAL A 18 84.099 -8.239 4.543 1.00 0.00 C ATOM 259 O VAL A 18 83.266 -8.161 3.641 1.00 0.00 O ATOM 260 CB VAL A 18 86.337 -8.666 3.525 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.727 -8.304 2.170 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.959 -7.416 4.148 1.00 0.00 C ATOM 0 H VAL A 18 84.250 -10.482 3.125 1.00 0.00 H new ATOM 0 HA VAL A 18 85.683 -9.352 5.456 1.00 0.00 H new ATOM 0 HB VAL A 18 87.103 -9.428 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.504 -7.910 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.288 -9.194 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.953 -7.549 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.726 -7.020 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.186 -6.662 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.409 -7.673 5.107 1.00 0.00 H new ATOM 272 N THR A 19 84.068 -7.472 5.628 1.00 0.00 N ATOM 273 CA THR A 19 83.044 -6.454 5.836 1.00 0.00 C ATOM 274 C THR A 19 83.707 -5.083 5.931 1.00 0.00 C ATOM 275 O THR A 19 84.649 -4.890 6.698 1.00 0.00 O ATOM 276 CB THR A 19 82.274 -6.790 7.120 1.00 0.00 C ATOM 277 OG1 THR A 19 81.172 -7.628 6.808 1.00 0.00 O ATOM 278 CG2 THR A 19 81.767 -5.541 7.847 1.00 0.00 C ATOM 0 H THR A 19 84.749 -7.538 6.385 1.00 0.00 H new ATOM 0 HA THR A 19 82.344 -6.434 5.001 1.00 0.00 H new ATOM 0 HB THR A 19 82.969 -7.299 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.768 -7.959 7.637 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.230 -5.837 8.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.613 -4.910 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.097 -4.985 7.191 1.00 0.00 H new ATOM 286 N ILE A 20 83.136 -4.113 5.227 1.00 0.00 N ATOM 287 CA ILE A 20 83.631 -2.740 5.253 1.00 0.00 C ATOM 288 C ILE A 20 82.785 -1.887 6.192 1.00 0.00 C ATOM 289 O ILE A 20 81.558 -1.992 6.209 1.00 0.00 O ATOM 290 CB ILE A 20 83.581 -2.149 3.842 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.226 -3.134 2.865 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.350 -0.825 3.825 1.00 0.00 C ATOM 293 CD1 ILE A 20 84.228 -2.543 1.453 1.00 0.00 C ATOM 0 H ILE A 20 82.323 -4.253 4.626 1.00 0.00 H new ATOM 0 HA ILE A 20 84.660 -2.746 5.613 1.00 0.00 H new ATOM 0 HB ILE A 20 82.547 -1.970 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.247 -3.354 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 20 83.680 -4.077 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.318 -0.399 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.893 -0.130 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.387 -1.003 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 20 84.689 -3.250 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 83.203 -2.346 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.794 -1.611 1.449 1.00 0.00 H new ATOM 305 N SER A 21 83.445 -1.051 6.990 1.00 0.00 N ATOM 306 CA SER A 21 82.759 -0.161 7.922 1.00 0.00 C ATOM 307 C SER A 21 82.925 1.290 7.474 1.00 0.00 C ATOM 308 O SER A 21 84.025 1.831 7.567 1.00 0.00 O ATOM 309 CB SER A 21 83.353 -0.355 9.322 1.00 0.00 C ATOM 310 OG SER A 21 83.561 -1.740 9.567 1.00 0.00 O ATOM 0 H SER A 21 84.462 -0.972 7.009 1.00 0.00 H new ATOM 0 HA SER A 21 81.695 -0.396 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.296 0.184 9.405 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.681 0.060 10.073 1.00 0.00 H new ATOM 0 HG SER A 21 83.942 -1.860 10.462 1.00 0.00 H new ATOM 316 N CYS A 22 81.820 1.956 7.135 1.00 0.00 N ATOM 317 CA CYS A 22 81.829 3.342 6.655 1.00 0.00 C ATOM 318 C CYS A 22 81.012 4.176 7.643 1.00 0.00 C ATOM 319 O CYS A 22 79.891 3.800 7.986 1.00 0.00 O ATOM 320 CB CYS A 22 81.252 3.424 5.225 1.00 0.00 C ATOM 321 SG CYS A 22 81.528 5.015 4.380 1.00 0.00 S ATOM 0 H CYS A 22 80.887 1.548 7.186 1.00 0.00 H new ATOM 0 HA CYS A 22 82.847 3.728 6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 22 81.693 2.628 4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.180 3.233 5.269 1.00 0.00 H new ATOM 326 N THR A 23 81.686 5.077 8.354 1.00 0.00 N ATOM 327 CA THR A 23 81.021 5.945 9.321 1.00 0.00 C ATOM 328 C THR A 23 81.135 7.379 8.827 1.00 0.00 C ATOM 329 O THR A 23 82.243 7.859 8.591 1.00 0.00 O ATOM 330 CB THR A 23 81.662 5.841 10.707 1.00 0.00 C ATOM 331 OG1 THR A 23 81.494 4.522 11.201 1.00 0.00 O ATOM 332 CG2 THR A 23 81.007 6.825 11.683 1.00 0.00 C ATOM 0 H THR A 23 82.692 5.225 8.278 1.00 0.00 H new ATOM 0 HA THR A 23 79.979 5.637 9.411 1.00 0.00 H new ATOM 0 HB THR A 23 82.721 6.083 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.905 4.450 12.088 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.478 6.734 12.662 1.00 0.00 H new ATOM 0 HG22 THR A 23 81.133 7.843 11.313 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.944 6.599 11.769 1.00 0.00 H new ATOM 340 N ARG A 24 80.057 8.133 9.010 1.00 0.00 N ATOM 341 CA ARG A 24 80.115 9.564 8.745 1.00 0.00 C ATOM 342 C ARG A 24 80.470 10.294 10.036 1.00 0.00 C ATOM 343 O ARG A 24 79.815 10.115 11.064 1.00 0.00 O ATOM 344 CB ARG A 24 78.767 10.045 8.195 1.00 0.00 C ATOM 345 CG ARG A 24 78.960 11.273 7.299 1.00 0.00 C ATOM 346 CD ARG A 24 77.645 11.623 6.599 1.00 0.00 C ATOM 347 NE ARG A 24 76.657 12.121 7.549 1.00 0.00 N ATOM 348 CZ ARG A 24 75.411 12.378 7.161 1.00 0.00 C ATOM 349 NH1 ARG A 24 74.709 11.448 6.573 1.00 0.00 N ATOM 350 NH2 ARG A 24 74.902 13.567 7.336 1.00 0.00 N ATOM 0 H ARG A 24 79.153 7.788 9.333 1.00 0.00 H new ATOM 0 HA ARG A 24 80.880 9.776 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 24 78.293 9.244 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.098 10.291 9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.300 12.119 7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.734 11.074 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.828 12.376 5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 24 77.254 10.741 6.093 1.00 0.00 H new ATOM 0 HE ARG A 24 76.924 12.274 8.521 1.00 0.00 H new ATOM 0 HH11 ARG A 24 75.116 10.527 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 24 73.753 11.642 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.460 14.302 7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 24 73.946 13.762 7.038 1.00 0.00 H new ATOM 364 N SER A 25 81.366 11.266 9.919 1.00 0.00 N ATOM 365 CA SER A 25 81.748 12.086 11.062 1.00 0.00 C ATOM 366 C SER A 25 80.531 12.802 11.640 1.00 0.00 C ATOM 367 O SER A 25 80.675 13.766 12.391 1.00 0.00 O ATOM 368 CB SER A 25 82.815 13.101 10.645 1.00 0.00 C ATOM 369 OG SER A 25 82.202 14.336 10.309 1.00 0.00 O ATOM 0 H SER A 25 81.840 11.505 9.048 1.00 0.00 H new ATOM 0 HA SER A 25 82.161 11.437 11.834 1.00 0.00 H new ATOM 0 HB2 SER A 25 83.527 13.248 11.457 1.00 0.00 H new ATOM 0 HB3 SER A 25 83.378 12.721 9.793 1.00 0.00 H new ATOM 0 HG SER A 25 82.445 14.583 9.392 1.00 0.00 H new ATOM 375 N SER A 26 79.363 12.504 11.074 1.00 0.00 N ATOM 376 CA SER A 26 78.128 13.192 11.433 1.00 0.00 C ATOM 377 C SER A 26 77.269 12.283 12.309 1.00 0.00 C ATOM 378 O SER A 26 76.354 12.743 12.992 1.00 0.00 O ATOM 379 CB SER A 26 77.389 13.572 10.146 1.00 0.00 C ATOM 380 OG SER A 26 77.022 14.942 10.200 1.00 0.00 O ATOM 0 H SER A 26 79.248 11.785 10.360 1.00 0.00 H new ATOM 0 HA SER A 26 78.347 14.097 11.999 1.00 0.00 H new ATOM 0 HB2 SER A 26 78.026 13.389 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.501 12.951 10.026 1.00 0.00 H new ATOM 0 HG SER A 26 76.551 15.187 9.377 1.00 0.00 H new ATOM 386 N GLY A 27 77.566 10.989 12.280 1.00 0.00 N ATOM 387 CA GLY A 27 76.825 10.021 13.079 1.00 0.00 C ATOM 388 C GLY A 27 75.466 9.704 12.462 1.00 0.00 C ATOM 389 O GLY A 27 74.580 9.183 13.139 1.00 0.00 O ATOM 0 H GLY A 27 78.313 10.587 11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.406 9.103 13.171 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.685 10.412 14.087 1.00 0.00 H new ATOM 393 N SER A 28 75.311 9.979 11.170 1.00 0.00 N ATOM 394 CA SER A 28 74.048 9.745 10.472 1.00 0.00 C ATOM 395 C SER A 28 74.254 8.821 9.276 1.00 0.00 C ATOM 396 O SER A 28 74.936 9.179 8.314 1.00 0.00 O ATOM 397 CB SER A 28 73.476 11.072 9.970 1.00 0.00 C ATOM 398 OG SER A 28 73.469 12.022 11.024 1.00 0.00 O ATOM 0 H SER A 28 76.048 10.366 10.581 1.00 0.00 H new ATOM 0 HA SER A 28 73.357 9.279 11.174 1.00 0.00 H new ATOM 0 HB2 SER A 28 74.073 11.444 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 28 72.463 10.923 9.595 1.00 0.00 H new ATOM 0 HG SER A 28 73.103 12.871 10.697 1.00 0.00 H new ATOM 404 N ILE A 29 73.747 7.596 9.382 1.00 0.00 N ATOM 405 CA ILE A 29 73.930 6.584 8.345 1.00 0.00 C ATOM 406 C ILE A 29 72.627 5.851 8.047 1.00 0.00 C ATOM 407 O ILE A 29 72.058 5.990 6.965 1.00 0.00 O ATOM 408 CB ILE A 29 74.959 5.547 8.803 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.696 5.129 10.264 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.383 6.102 8.642 1.00 0.00 C ATOM 411 CD1 ILE A 29 74.073 3.736 10.411 1.00 0.00 C ATOM 0 H ILE A 29 73.201 7.278 10.183 1.00 0.00 H new ATOM 0 HA ILE A 29 74.270 7.098 7.446 1.00 0.00 H new ATOM 0 HB ILE A 29 74.862 4.661 8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.637 5.155 10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.036 5.862 10.728 1.00 0.00 H new ATOM 0 HG21 ILE A 29 77.104 5.354 8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.563 6.343 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.493 7.003 9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.919 3.516 11.467 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.115 3.709 9.891 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.741 2.991 9.979 1.00 0.00 H new ATOM 423 N ALA A 30 72.112 5.152 9.056 1.00 0.00 N ATOM 424 CA ALA A 30 70.868 4.412 8.882 1.00 0.00 C ATOM 425 C ALA A 30 69.765 5.431 8.635 1.00 0.00 C ATOM 426 O ALA A 30 68.592 5.100 8.458 1.00 0.00 O ATOM 427 CB ALA A 30 70.528 3.606 10.139 1.00 0.00 C ATOM 0 H ALA A 30 72.528 5.083 9.985 1.00 0.00 H new ATOM 0 HA ALA A 30 70.968 3.715 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.596 3.064 9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.330 2.897 10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.416 4.283 10.986 1.00 0.00 H new ATOM 433 N SER A 31 70.199 6.686 8.632 1.00 0.00 N ATOM 434 CA SER A 31 69.297 7.820 8.434 1.00 0.00 C ATOM 435 C SER A 31 69.522 8.486 7.079 1.00 0.00 C ATOM 436 O SER A 31 68.940 9.535 6.800 1.00 0.00 O ATOM 437 CB SER A 31 69.464 8.834 9.567 1.00 0.00 C ATOM 438 OG SER A 31 70.784 9.356 9.551 1.00 0.00 O ATOM 0 H SER A 31 71.176 6.947 8.765 1.00 0.00 H new ATOM 0 HA SER A 31 68.275 7.441 8.448 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.742 9.642 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 31 69.262 8.358 10.527 1.00 0.00 H new ATOM 0 HG SER A 31 71.127 9.351 8.633 1.00 0.00 H new ATOM 444 N ASN A 32 70.509 8.005 6.328 1.00 0.00 N ATOM 445 CA ASN A 32 70.843 8.587 5.032 1.00 0.00 C ATOM 446 C ASN A 32 71.078 7.498 3.992 1.00 0.00 C ATOM 447 O ASN A 32 71.349 6.345 4.328 1.00 0.00 O ATOM 448 CB ASN A 32 72.100 9.451 5.159 1.00 0.00 C ATOM 449 CG ASN A 32 72.051 10.246 6.460 1.00 0.00 C ATOM 450 OD1 ASN A 32 72.494 9.763 7.502 1.00 0.00 O ATOM 451 ND2 ASN A 32 71.527 11.441 6.466 1.00 0.00 N ATOM 0 H ASN A 32 71.092 7.212 6.596 1.00 0.00 H new ATOM 0 HA ASN A 32 70.005 9.203 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.989 8.821 5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.173 10.130 4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 32 71.484 11.975 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 32 71.160 11.841 5.603 1.00 0.00 H new ATOM 458 N TYR A 33 70.949 7.872 2.722 1.00 0.00 N ATOM 459 CA TYR A 33 71.134 6.924 1.631 1.00 0.00 C ATOM 460 C TYR A 33 72.627 6.708 1.401 1.00 0.00 C ATOM 461 O TYR A 33 73.386 7.666 1.243 1.00 0.00 O ATOM 462 CB TYR A 33 70.478 7.464 0.354 1.00 0.00 C ATOM 463 CG TYR A 33 69.017 7.079 0.297 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.226 7.133 1.451 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.464 6.620 -0.905 1.00 0.00 C ATOM 466 CE1 TYR A 33 66.877 6.765 1.395 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.105 6.292 -0.971 1.00 0.00 C ATOM 468 CZ TYR A 33 66.308 6.373 0.177 1.00 0.00 C ATOM 469 OH TYR A 33 64.985 5.980 0.133 1.00 0.00 O ATOM 0 H TYR A 33 70.718 8.820 2.425 1.00 0.00 H new ATOM 0 HA TYR A 33 70.666 5.974 1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.574 8.549 0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.997 7.071 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.658 7.459 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 33 69.087 6.519 -1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.275 6.783 2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.671 5.976 -1.908 1.00 0.00 H new ATOM 0 HH TYR A 33 64.920 5.094 -0.282 1.00 0.00 H new ATOM 479 N VAL A 34 73.040 5.445 1.360 1.00 0.00 N ATOM 480 CA VAL A 34 74.444 5.092 1.165 1.00 0.00 C ATOM 481 C VAL A 34 74.609 4.190 -0.050 1.00 0.00 C ATOM 482 O VAL A 34 73.732 3.395 -0.387 1.00 0.00 O ATOM 483 CB VAL A 34 75.004 4.390 2.405 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.468 4.011 2.165 1.00 0.00 C ATOM 485 CG2 VAL A 34 74.920 5.336 3.606 1.00 0.00 C ATOM 0 H VAL A 34 72.418 4.643 1.460 1.00 0.00 H new ATOM 0 HA VAL A 34 74.999 6.015 0.999 1.00 0.00 H new ATOM 0 HB VAL A 34 74.422 3.490 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 34 76.864 3.512 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 34 76.534 3.340 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.049 4.912 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.318 4.838 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.502 6.235 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.880 5.610 3.782 1.00 0.00 H new ATOM 495 N GLN A 35 75.756 4.334 -0.707 1.00 0.00 N ATOM 496 CA GLN A 35 76.060 3.540 -1.892 1.00 0.00 C ATOM 497 C GLN A 35 77.517 3.093 -1.865 1.00 0.00 C ATOM 498 O GLN A 35 78.377 3.793 -1.332 1.00 0.00 O ATOM 499 CB GLN A 35 75.802 4.397 -3.134 1.00 0.00 C ATOM 500 CG GLN A 35 76.331 5.822 -2.927 1.00 0.00 C ATOM 501 CD GLN A 35 75.197 6.792 -2.602 1.00 0.00 C ATOM 502 OE1 GLN A 35 74.545 7.315 -3.506 1.00 0.00 O ATOM 503 NE2 GLN A 35 74.854 6.973 -1.356 1.00 0.00 N ATOM 0 H GLN A 35 76.488 4.992 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 35 75.427 2.653 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.286 3.946 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 35 74.733 4.427 -3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.061 5.827 -2.117 1.00 0.00 H new ATOM 0 HG3 GLN A 35 76.850 6.154 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 35 75.396 6.538 -0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 35 74.044 7.549 -1.129 1.00 0.00 H new ATOM 512 N TRP A 36 77.798 1.978 -2.534 1.00 0.00 N ATOM 513 CA TRP A 36 79.150 1.428 -2.589 1.00 0.00 C ATOM 514 C TRP A 36 79.725 1.579 -3.992 1.00 0.00 C ATOM 515 O TRP A 36 79.039 1.355 -4.990 1.00 0.00 O ATOM 516 CB TRP A 36 79.130 -0.057 -2.223 1.00 0.00 C ATOM 517 CG TRP A 36 78.734 -0.214 -0.792 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.515 -0.604 -0.357 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.545 0.007 0.398 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.531 -0.673 1.023 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.748 -0.272 1.536 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.852 0.475 0.607 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.241 -0.106 2.836 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.352 0.642 1.905 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.566 0.307 3.015 1.00 0.00 C ATOM 0 H TRP A 36 77.104 1.435 -3.048 1.00 0.00 H new ATOM 0 HA TRP A 36 79.770 1.975 -1.878 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.430 -0.591 -2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.114 -0.496 -2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.666 -0.826 -0.986 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.742 -0.982 1.591 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.478 0.709 -0.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.607 -0.294 3.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.349 1.031 2.051 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.983 0.367 4.009 1.00 0.00 H new ATOM 536 N TYR A 37 80.977 2.019 -4.059 1.00 0.00 N ATOM 537 CA TYR A 37 81.663 2.193 -5.335 1.00 0.00 C ATOM 538 C TYR A 37 83.015 1.490 -5.281 1.00 0.00 C ATOM 539 O TYR A 37 83.737 1.587 -4.288 1.00 0.00 O ATOM 540 CB TYR A 37 81.850 3.688 -5.615 1.00 0.00 C ATOM 541 CG TYR A 37 80.638 4.251 -6.323 1.00 0.00 C ATOM 542 CD1 TYR A 37 79.422 4.375 -5.641 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.724 4.625 -7.670 1.00 0.00 C ATOM 544 CE1 TYR A 37 78.291 4.862 -6.308 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.590 5.094 -8.341 1.00 0.00 C ATOM 546 CZ TYR A 37 78.375 5.222 -7.657 1.00 0.00 C ATOM 547 OH TYR A 37 77.256 5.691 -8.315 1.00 0.00 O ATOM 0 H TYR A 37 81.539 2.262 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 37 81.069 1.757 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.012 4.222 -4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 37 82.739 3.841 -6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 37 79.356 4.095 -4.600 1.00 0.00 H new ATOM 0 HD2 TYR A 37 81.667 4.551 -8.191 1.00 0.00 H new ATOM 0 HE1 TYR A 37 77.354 4.960 -5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 37 79.652 5.357 -9.387 1.00 0.00 H new ATOM 0 HH TYR A 37 77.118 5.174 -9.136 1.00 0.00 H new ATOM 557 N GLN A 38 83.441 0.977 -6.430 1.00 0.00 N ATOM 558 CA GLN A 38 84.740 0.325 -6.546 1.00 0.00 C ATOM 559 C GLN A 38 85.440 0.826 -7.805 1.00 0.00 C ATOM 560 O GLN A 38 84.850 0.862 -8.885 1.00 0.00 O ATOM 561 CB GLN A 38 84.598 -1.204 -6.586 1.00 0.00 C ATOM 562 CG GLN A 38 83.145 -1.632 -6.814 1.00 0.00 C ATOM 563 CD GLN A 38 82.393 -1.699 -5.488 1.00 0.00 C ATOM 564 OE1 GLN A 38 81.605 -0.808 -5.170 1.00 0.00 O ATOM 565 NE2 GLN A 38 82.650 -2.678 -4.664 1.00 0.00 N ATOM 0 H GLN A 38 82.904 1.000 -7.297 1.00 0.00 H new ATOM 0 HA GLN A 38 85.336 0.575 -5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.225 -1.607 -7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 38 84.960 -1.628 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.653 -0.926 -7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.119 -2.606 -7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.304 -3.413 -4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 38 82.197 -2.708 -3.751 1.00 0.00 H new ATOM 574 N GLN A 39 86.712 1.184 -7.661 1.00 0.00 N ATOM 575 CA GLN A 39 87.508 1.654 -8.786 1.00 0.00 C ATOM 576 C GLN A 39 88.607 0.651 -9.119 1.00 0.00 C ATOM 577 O GLN A 39 89.540 0.458 -8.339 1.00 0.00 O ATOM 578 CB GLN A 39 88.129 3.012 -8.450 1.00 0.00 C ATOM 579 CG GLN A 39 88.833 3.603 -9.679 1.00 0.00 C ATOM 580 CD GLN A 39 88.363 5.027 -9.962 1.00 0.00 C ATOM 581 OE1 GLN A 39 89.110 5.983 -9.754 1.00 0.00 O ATOM 582 NE2 GLN A 39 87.161 5.216 -10.437 1.00 0.00 N ATOM 0 H GLN A 39 87.213 1.157 -6.773 1.00 0.00 H new ATOM 0 HA GLN A 39 86.857 1.759 -9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.355 3.696 -8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 39 88.843 2.900 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 39 89.911 3.600 -9.519 1.00 0.00 H new ATOM 0 HG3 GLN A 39 88.638 2.975 -10.548 1.00 0.00 H new ATOM 0 HE21 GLN A 39 86.548 4.418 -10.607 1.00 0.00 H new ATOM 0 HE22 GLN A 39 86.835 6.161 -10.638 1.00 0.00 H new ATOM 591 N ARG A 40 88.531 0.077 -10.315 1.00 0.00 N ATOM 592 CA ARG A 40 89.540 -0.872 -10.780 1.00 0.00 C ATOM 593 C ARG A 40 90.884 -0.151 -10.880 1.00 0.00 C ATOM 594 O ARG A 40 91.000 0.971 -10.385 1.00 0.00 O ATOM 595 CB ARG A 40 89.082 -1.435 -12.133 1.00 0.00 C ATOM 596 CG ARG A 40 88.987 -2.970 -12.179 1.00 0.00 C ATOM 597 CD ARG A 40 87.605 -3.418 -12.663 1.00 0.00 C ATOM 598 NE ARG A 40 86.555 -2.746 -11.907 1.00 0.00 N ATOM 599 CZ ARG A 40 86.031 -3.276 -10.807 1.00 0.00 C ATOM 600 NH1 ARG A 40 86.714 -4.133 -10.099 1.00 0.00 N ATOM 601 NH2 ARG A 40 84.794 -3.007 -10.498 1.00 0.00 N ATOM 0 H ARG A 40 87.780 0.252 -10.982 1.00 0.00 H new ATOM 0 HA ARG A 40 89.661 -1.704 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 40 88.106 -1.015 -12.377 1.00 0.00 H new ATOM 0 HB3 ARG A 40 89.775 -1.102 -12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 40 89.755 -3.366 -12.843 1.00 0.00 H new ATOM 0 HG3 ARG A 40 89.180 -3.380 -11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 40 87.496 -3.196 -13.724 1.00 0.00 H new ATOM 0 HD3 ARG A 40 87.507 -4.498 -12.552 1.00 0.00 H new ATOM 0 HE ARG A 40 86.212 -1.842 -12.232 1.00 0.00 H new ATOM 0 HH11 ARG A 40 87.655 -4.399 -10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 40 86.307 -4.537 -9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 40 84.240 -2.396 -11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 40 84.380 -3.408 -9.656 1.00 0.00 H new ATOM 658 N PRO A 45 85.563 3.484 -12.695 1.00 0.00 N ATOM 659 CA PRO A 45 84.451 3.579 -11.706 1.00 0.00 C ATOM 660 C PRO A 45 83.323 2.604 -12.039 1.00 0.00 C ATOM 661 O PRO A 45 82.831 2.596 -13.169 1.00 0.00 O ATOM 662 CB PRO A 45 83.991 5.041 -11.803 1.00 0.00 C ATOM 663 CG PRO A 45 84.835 5.705 -12.847 1.00 0.00 C ATOM 664 CD PRO A 45 85.520 4.600 -13.651 1.00 0.00 C ATOM 0 HA PRO A 45 84.763 3.312 -10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 45 82.936 5.095 -12.071 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.102 5.543 -10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.221 6.329 -13.497 1.00 0.00 H new ATOM 0 HG3 PRO A 45 85.575 6.358 -12.384 1.00 0.00 H new ATOM 0 HD2 PRO A 45 84.957 4.343 -14.548 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.518 4.894 -13.975 1.00 0.00 H new ATOM 672 N THR A 46 82.798 1.894 -11.040 1.00 0.00 N ATOM 673 CA THR A 46 81.675 0.991 -11.278 1.00 0.00 C ATOM 674 C THR A 46 80.755 0.930 -10.062 1.00 0.00 C ATOM 675 O THR A 46 81.073 0.290 -9.059 1.00 0.00 O ATOM 676 CB THR A 46 82.196 -0.415 -11.589 1.00 0.00 C ATOM 677 OG1 THR A 46 82.757 -0.990 -10.417 1.00 0.00 O ATOM 678 CG2 THR A 46 83.269 -0.336 -12.677 1.00 0.00 C ATOM 0 H THR A 46 83.126 1.926 -10.075 1.00 0.00 H new ATOM 0 HA THR A 46 81.107 1.372 -12.127 1.00 0.00 H new ATOM 0 HB THR A 46 81.368 -1.034 -11.936 1.00 0.00 H new ATOM 0 HG1 THR A 46 82.503 -0.455 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 46 83.639 -1.338 -12.897 1.00 0.00 H new ATOM 0 HG22 THR A 46 82.840 0.099 -13.580 1.00 0.00 H new ATOM 0 HG23 THR A 46 84.094 0.287 -12.330 1.00 0.00 H new ATOM 686 N THR A 47 79.597 1.577 -10.165 1.00 0.00 N ATOM 687 CA THR A 47 78.633 1.547 -9.070 1.00 0.00 C ATOM 688 C THR A 47 78.149 0.118 -8.844 1.00 0.00 C ATOM 689 O THR A 47 77.500 -0.459 -9.715 1.00 0.00 O ATOM 690 CB THR A 47 77.434 2.444 -9.394 1.00 0.00 C ATOM 691 OG1 THR A 47 77.886 3.734 -9.778 1.00 0.00 O ATOM 692 CG2 THR A 47 76.528 2.563 -8.165 1.00 0.00 C ATOM 0 H THR A 47 79.307 2.119 -10.979 1.00 0.00 H new ATOM 0 HA THR A 47 79.120 1.914 -8.167 1.00 0.00 H new ATOM 0 HB THR A 47 76.871 2.001 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.517 4.072 -9.109 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.677 3.202 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.171 1.574 -7.879 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.091 2.998 -7.339 1.00 0.00 H new ATOM 700 N VAL A 48 78.368 -0.414 -7.643 1.00 0.00 N ATOM 701 CA VAL A 48 78.009 -1.804 -7.379 1.00 0.00 C ATOM 702 C VAL A 48 76.714 -1.911 -6.578 1.00 0.00 C ATOM 703 O VAL A 48 75.944 -2.841 -6.808 1.00 0.00 O ATOM 704 CB VAL A 48 79.155 -2.467 -6.601 1.00 0.00 C ATOM 705 CG1 VAL A 48 78.652 -3.660 -5.784 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.246 -2.958 -7.557 1.00 0.00 C ATOM 0 H VAL A 48 78.782 0.083 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 48 77.848 -2.309 -8.332 1.00 0.00 H new ATOM 0 HB VAL A 48 79.564 -1.714 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 48 79.486 -4.109 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 48 77.899 -3.322 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.213 -4.400 -6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.048 -3.424 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 48 79.823 -3.686 -8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.645 -2.113 -8.119 1.00 0.00 H new ATOM 716 N ILE A 49 76.379 -0.922 -5.755 1.00 0.00 N ATOM 717 CA ILE A 49 75.117 -0.932 -5.028 1.00 0.00 C ATOM 718 C ILE A 49 74.615 0.503 -4.908 1.00 0.00 C ATOM 719 O ILE A 49 75.387 1.413 -4.610 1.00 0.00 O ATOM 720 CB ILE A 49 75.333 -1.585 -3.657 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.288 -3.111 -3.776 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.258 -1.125 -2.669 1.00 0.00 C ATOM 723 CD1 ILE A 49 75.813 -3.749 -2.488 1.00 0.00 C ATOM 0 H ILE A 49 76.964 -0.106 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 49 74.361 -1.514 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 49 76.314 -1.281 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.266 -3.440 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 49 75.890 -3.436 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.427 -1.598 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.307 -0.042 -2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.274 -1.407 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 49 75.778 -4.835 -2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 49 76.842 -3.432 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.193 -3.436 -1.648 1.00 0.00 H new ATOM 735 N TYR A 50 73.295 0.642 -4.862 1.00 0.00 N ATOM 736 CA TYR A 50 72.664 1.937 -4.643 1.00 0.00 C ATOM 737 C TYR A 50 71.548 1.800 -3.613 1.00 0.00 C ATOM 738 O TYR A 50 71.251 0.694 -3.159 1.00 0.00 O ATOM 739 CB TYR A 50 72.107 2.452 -5.974 1.00 0.00 C ATOM 740 CG TYR A 50 72.043 3.961 -5.975 1.00 0.00 C ATOM 741 CD1 TYR A 50 70.952 4.622 -5.400 1.00 0.00 C ATOM 742 CD2 TYR A 50 73.108 4.694 -6.509 1.00 0.00 C ATOM 743 CE1 TYR A 50 70.913 6.022 -5.389 1.00 0.00 C ATOM 744 CE2 TYR A 50 73.054 6.092 -6.530 1.00 0.00 C ATOM 745 CZ TYR A 50 71.948 6.754 -5.984 1.00 0.00 C ATOM 746 OH TYR A 50 71.905 8.133 -5.985 1.00 0.00 O ATOM 0 H TYR A 50 72.639 -0.131 -4.974 1.00 0.00 H new ATOM 0 HA TYR A 50 73.397 2.648 -4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.736 2.109 -6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.112 2.040 -6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 50 70.142 4.054 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 50 73.972 4.181 -6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.086 6.536 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 50 73.863 6.659 -6.966 1.00 0.00 H new ATOM 0 HH TYR A 50 72.614 8.483 -5.406 1.00 0.00 H new ATOM 756 N GLU A 51 71.111 2.931 -3.076 1.00 0.00 N ATOM 757 CA GLU A 51 70.151 2.928 -1.979 1.00 0.00 C ATOM 758 C GLU A 51 70.544 1.902 -0.919 1.00 0.00 C ATOM 759 O GLU A 51 69.714 1.318 -0.222 1.00 0.00 O ATOM 760 CB GLU A 51 68.794 2.541 -2.579 1.00 0.00 C ATOM 761 CG GLU A 51 67.727 2.448 -1.483 1.00 0.00 C ATOM 762 CD GLU A 51 66.364 2.897 -2.000 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.130 2.755 -3.188 1.00 0.00 O ATOM 764 OE2 GLU A 51 65.594 3.415 -1.209 1.00 0.00 O ATOM 0 H GLU A 51 71.404 3.859 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 51 70.118 3.907 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.495 3.279 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 51 68.878 1.584 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.662 1.422 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.019 3.067 -0.634 1.00 0.00 H new ATOM 771 N ASP A 52 71.834 1.595 -0.905 1.00 0.00 N ATOM 772 CA ASP A 52 72.394 0.596 -0.002 1.00 0.00 C ATOM 773 C ASP A 52 71.494 -0.635 0.020 1.00 0.00 C ATOM 774 O ASP A 52 71.693 -1.538 0.833 1.00 0.00 O ATOM 775 CB ASP A 52 72.480 1.156 1.421 1.00 0.00 C ATOM 776 CG ASP A 52 71.083 1.368 2.002 1.00 0.00 C ATOM 777 OD1 ASP A 52 70.538 0.415 2.535 1.00 0.00 O ATOM 778 OD2 ASP A 52 70.535 2.441 1.803 1.00 0.00 O ATOM 0 H ASP A 52 72.522 2.031 -1.519 1.00 0.00 H new ATOM 0 HA ASP A 52 73.391 0.332 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.042 0.470 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.024 2.101 1.413 1.00 0.00 H new ATOM 783 N ASN A 53 70.667 -0.768 -1.012 1.00 0.00 N ATOM 784 CA ASN A 53 69.876 -1.974 -1.234 1.00 0.00 C ATOM 785 C ASN A 53 70.102 -2.468 -2.658 1.00 0.00 C ATOM 786 O ASN A 53 69.993 -3.662 -2.933 1.00 0.00 O ATOM 787 CB ASN A 53 68.408 -1.681 -0.894 1.00 0.00 C ATOM 788 CG ASN A 53 67.544 -1.493 -2.136 1.00 0.00 C ATOM 789 OD1 ASN A 53 66.992 -0.417 -2.355 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.288 -2.523 -2.893 1.00 0.00 N ATOM 0 H ASN A 53 70.526 -0.044 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 53 70.188 -2.786 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.007 -2.500 -0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.354 -0.783 -0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.630 -2.436 -3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.746 -3.416 -2.711 1.00 0.00 H new ATOM 797 N GLN A 54 70.047 -1.505 -3.573 1.00 0.00 N ATOM 798 CA GLN A 54 70.035 -1.810 -4.998 1.00 0.00 C ATOM 799 C GLN A 54 71.226 -2.705 -5.332 1.00 0.00 C ATOM 800 O GLN A 54 72.347 -2.450 -4.890 1.00 0.00 O ATOM 801 CB GLN A 54 70.091 -0.507 -5.809 1.00 0.00 C ATOM 802 CG GLN A 54 68.899 -0.401 -6.764 1.00 0.00 C ATOM 803 CD GLN A 54 67.623 -0.311 -5.934 1.00 0.00 C ATOM 804 OE1 GLN A 54 66.528 -0.158 -6.476 1.00 0.00 O ATOM 805 NE2 GLN A 54 67.723 -0.345 -4.632 1.00 0.00 N ATOM 0 H GLN A 54 70.010 -0.510 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 54 69.116 -2.336 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 54 70.095 0.347 -5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 54 71.021 -0.468 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 54 69.000 0.478 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 54 68.862 -1.269 -7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 54 68.635 -0.472 -4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 54 66.889 -0.244 -4.054 1.00 0.00 H new ATOM 814 N ARG A 55 70.981 -3.749 -6.117 1.00 0.00 N ATOM 815 CA ARG A 55 72.043 -4.660 -6.530 1.00 0.00 C ATOM 816 C ARG A 55 71.875 -4.995 -8.012 1.00 0.00 C ATOM 817 O ARG A 55 70.982 -5.769 -8.358 1.00 0.00 O ATOM 818 CB ARG A 55 71.955 -5.925 -5.667 1.00 0.00 C ATOM 819 CG ARG A 55 73.337 -6.526 -5.376 1.00 0.00 C ATOM 820 CD ARG A 55 73.275 -7.373 -4.101 1.00 0.00 C ATOM 821 NE ARG A 55 72.430 -8.543 -4.320 1.00 0.00 N ATOM 822 CZ ARG A 55 71.382 -8.814 -3.544 1.00 0.00 C ATOM 823 NH1 ARG A 55 70.694 -7.843 -3.011 1.00 0.00 N ATOM 824 NH2 ARG A 55 71.092 -10.054 -3.257 1.00 0.00 N ATOM 0 H ARG A 55 70.057 -3.985 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 55 73.022 -4.201 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 55 71.459 -5.687 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.338 -6.667 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.661 -7.140 -6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.073 -5.730 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 55 74.278 -7.687 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 55 72.880 -6.778 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 55 72.649 -9.173 -5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 55 70.958 -6.874 -3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 55 69.892 -8.053 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 55 71.667 -10.811 -3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 55 70.290 -10.266 -2.663 1.00 0.00 H new ATOM 838 N PRO A 56 72.715 -4.512 -8.892 1.00 0.00 N ATOM 839 CA PRO A 56 72.608 -4.837 -10.342 1.00 0.00 C ATOM 840 C PRO A 56 72.973 -6.291 -10.631 1.00 0.00 C ATOM 841 O PRO A 56 73.802 -6.886 -9.941 1.00 0.00 O ATOM 842 CB PRO A 56 73.565 -3.867 -11.049 1.00 0.00 C ATOM 843 CG PRO A 56 74.128 -2.953 -10.008 1.00 0.00 C ATOM 844 CD PRO A 56 73.802 -3.552 -8.639 1.00 0.00 C ATOM 0 HA PRO A 56 71.583 -4.725 -10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.363 -4.414 -11.551 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.038 -3.298 -11.814 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.206 -2.849 -10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 56 73.698 -1.956 -10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.672 -4.046 -8.207 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.491 -2.780 -7.935 1.00 0.00 H new ATOM 852 N SER A 57 72.404 -6.829 -11.705 1.00 0.00 N ATOM 853 CA SER A 57 72.745 -8.175 -12.149 1.00 0.00 C ATOM 854 C SER A 57 74.154 -8.228 -12.732 1.00 0.00 C ATOM 855 O SER A 57 74.824 -9.258 -12.652 1.00 0.00 O ATOM 856 CB SER A 57 71.737 -8.635 -13.205 1.00 0.00 C ATOM 857 OG SER A 57 71.732 -7.717 -14.289 1.00 0.00 O ATOM 0 H SER A 57 71.708 -6.356 -12.281 1.00 0.00 H new ATOM 0 HA SER A 57 72.710 -8.838 -11.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.997 -9.632 -13.561 1.00 0.00 H new ATOM 0 HB3 SER A 57 70.741 -8.702 -12.767 1.00 0.00 H new ATOM 0 HG SER A 57 71.088 -8.013 -14.965 1.00 0.00 H new ATOM 863 N GLY A 58 74.573 -7.141 -13.371 1.00 0.00 N ATOM 864 CA GLY A 58 75.888 -7.101 -13.997 1.00 0.00 C ATOM 865 C GLY A 58 76.974 -7.417 -12.976 1.00 0.00 C ATOM 866 O GLY A 58 77.859 -8.236 -13.229 1.00 0.00 O ATOM 0 H GLY A 58 74.027 -6.285 -13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.930 -7.820 -14.816 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.062 -6.115 -14.429 1.00 0.00 H new ATOM 870 N VAL A 59 76.899 -6.767 -11.820 1.00 0.00 N ATOM 871 CA VAL A 59 77.881 -6.995 -10.767 1.00 0.00 C ATOM 872 C VAL A 59 77.400 -8.116 -9.846 1.00 0.00 C ATOM 873 O VAL A 59 76.269 -8.057 -9.365 1.00 0.00 O ATOM 874 CB VAL A 59 78.099 -5.707 -9.968 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.288 -4.527 -10.927 1.00 0.00 C ATOM 876 CG2 VAL A 59 76.903 -5.446 -9.047 1.00 0.00 C ATOM 0 H VAL A 59 76.176 -6.085 -11.590 1.00 0.00 H new ATOM 0 HA VAL A 59 78.829 -7.291 -11.217 1.00 0.00 H new ATOM 0 HB VAL A 59 78.994 -5.818 -9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.443 -3.613 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.156 -4.709 -11.561 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.400 -4.418 -11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.071 -4.527 -8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.998 -5.345 -9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.788 -6.280 -8.354 1.00 0.00 H new ATOM 886 N PRO A 60 78.212 -9.084 -9.510 1.00 0.00 N ATOM 887 CA PRO A 60 77.766 -10.205 -8.635 1.00 0.00 C ATOM 888 C PRO A 60 77.286 -9.689 -7.283 1.00 0.00 C ATOM 889 O PRO A 60 77.819 -8.708 -6.770 1.00 0.00 O ATOM 890 CB PRO A 60 78.993 -11.114 -8.475 1.00 0.00 C ATOM 891 CG PRO A 60 80.095 -10.543 -9.311 1.00 0.00 C ATOM 892 CD PRO A 60 79.556 -9.322 -10.060 1.00 0.00 C ATOM 0 HA PRO A 60 76.923 -10.742 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 60 79.295 -11.168 -7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 60 78.760 -12.130 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 60 80.939 -10.259 -8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 60 80.460 -11.289 -10.017 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.200 -8.455 -9.912 1.00 0.00 H new ATOM 0 HD3 PRO A 60 79.513 -9.507 -11.133 1.00 0.00 H new ATOM 900 N ASP A 61 76.234 -10.297 -6.743 1.00 0.00 N ATOM 901 CA ASP A 61 75.715 -9.888 -5.441 1.00 0.00 C ATOM 902 C ASP A 61 76.750 -10.061 -4.330 1.00 0.00 C ATOM 903 O ASP A 61 76.424 -9.925 -3.150 1.00 0.00 O ATOM 904 CB ASP A 61 74.446 -10.674 -5.103 1.00 0.00 C ATOM 905 CG ASP A 61 74.750 -12.167 -5.041 1.00 0.00 C ATOM 906 OD1 ASP A 61 75.853 -12.543 -5.403 1.00 0.00 O ATOM 907 OD2 ASP A 61 73.874 -12.911 -4.630 1.00 0.00 O ATOM 0 H ASP A 61 75.728 -11.067 -7.181 1.00 0.00 H new ATOM 0 HA ASP A 61 75.477 -8.826 -5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 61 74.045 -10.337 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.680 -10.483 -5.855 1.00 0.00 H new ATOM 912 N ARG A 62 77.950 -10.510 -4.687 1.00 0.00 N ATOM 913 CA ARG A 62 78.982 -10.788 -3.694 1.00 0.00 C ATOM 914 C ARG A 62 79.169 -9.626 -2.722 1.00 0.00 C ATOM 915 O ARG A 62 79.925 -9.741 -1.758 1.00 0.00 O ATOM 916 CB ARG A 62 80.318 -11.058 -4.391 1.00 0.00 C ATOM 917 CG ARG A 62 80.695 -9.840 -5.235 1.00 0.00 C ATOM 918 CD ARG A 62 81.884 -10.182 -6.135 1.00 0.00 C ATOM 919 NE ARG A 62 83.090 -10.365 -5.338 1.00 0.00 N ATOM 920 CZ ARG A 62 83.664 -9.338 -4.720 1.00 0.00 C ATOM 921 NH1 ARG A 62 84.050 -8.295 -5.404 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.860 -9.392 -3.432 1.00 0.00 N ATOM 0 H ARG A 62 78.230 -10.688 -5.651 1.00 0.00 H new ATOM 0 HA ARG A 62 78.657 -11.663 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 62 81.094 -11.259 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 62 80.241 -11.944 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 62 79.845 -9.530 -5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.947 -9.001 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.672 -11.091 -6.699 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.039 -9.385 -6.862 1.00 0.00 H new ATOM 0 HE ARG A 62 83.500 -11.295 -5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 62 83.911 -8.268 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 62 84.490 -7.508 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 62 83.573 -10.218 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.300 -8.608 -2.950 1.00 0.00 H new ATOM 936 N PHE A 63 78.439 -8.530 -2.921 1.00 0.00 N ATOM 937 CA PHE A 63 78.511 -7.390 -2.014 1.00 0.00 C ATOM 938 C PHE A 63 77.230 -7.313 -1.194 1.00 0.00 C ATOM 939 O PHE A 63 76.138 -7.558 -1.709 1.00 0.00 O ATOM 940 CB PHE A 63 78.665 -6.095 -2.814 1.00 0.00 C ATOM 941 CG PHE A 63 79.743 -6.280 -3.855 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.421 -6.865 -5.084 1.00 0.00 C ATOM 943 CD2 PHE A 63 81.034 -5.793 -3.626 1.00 0.00 C ATOM 944 CE1 PHE A 63 80.394 -6.975 -6.086 1.00 0.00 C ATOM 945 CE2 PHE A 63 82.005 -5.894 -4.630 1.00 0.00 C ATOM 946 CZ PHE A 63 81.692 -6.506 -5.850 1.00 0.00 C ATOM 0 H PHE A 63 77.793 -8.409 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 63 79.370 -7.515 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.721 -5.835 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.923 -5.271 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 63 78.421 -7.232 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.281 -5.340 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.144 -7.420 -7.038 1.00 0.00 H new ATOM 0 HE2 PHE A 63 82.996 -5.499 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.452 -6.616 -6.609 1.00 0.00 H new ATOM 956 N SER A 64 77.359 -6.861 0.050 1.00 0.00 N ATOM 957 CA SER A 64 76.198 -6.702 0.918 1.00 0.00 C ATOM 958 C SER A 64 76.186 -5.323 1.561 1.00 0.00 C ATOM 959 O SER A 64 76.850 -5.102 2.565 1.00 0.00 O ATOM 960 CB SER A 64 76.183 -7.786 1.997 1.00 0.00 C ATOM 961 OG SER A 64 74.870 -7.936 2.513 1.00 0.00 O ATOM 0 H SER A 64 78.248 -6.600 0.476 1.00 0.00 H new ATOM 0 HA SER A 64 75.302 -6.804 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.529 -8.732 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.871 -7.521 2.800 1.00 0.00 H new ATOM 0 HG SER A 64 74.867 -8.633 3.202 1.00 0.00 H new ATOM 967 N GLY A 65 75.100 -4.620 1.278 1.00 0.00 N ATOM 968 CA GLY A 65 74.870 -3.284 1.810 1.00 0.00 C ATOM 969 C GLY A 65 73.776 -3.317 2.870 1.00 0.00 C ATOM 970 O GLY A 65 72.688 -3.844 2.637 1.00 0.00 O ATOM 0 H GLY A 65 74.352 -4.959 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.792 -2.893 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.584 -2.609 1.004 1.00 0.00 H new ATOM 974 N SER A 66 74.099 -2.850 4.072 1.00 0.00 N ATOM 975 CA SER A 66 73.124 -2.846 5.155 1.00 0.00 C ATOM 976 C SER A 66 73.523 -1.829 6.219 1.00 0.00 C ATOM 977 O SER A 66 74.662 -1.360 6.250 1.00 0.00 O ATOM 978 CB SER A 66 73.037 -4.241 5.780 1.00 0.00 C ATOM 979 OG SER A 66 74.075 -4.392 6.736 1.00 0.00 O ATOM 0 H SER A 66 75.015 -2.475 4.318 1.00 0.00 H new ATOM 0 HA SER A 66 72.150 -2.571 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.066 -4.379 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.125 -5.005 5.007 1.00 0.00 H new ATOM 0 HG SER A 66 74.893 -3.970 6.400 1.00 0.00 H new ATOM 985 N ILE A 67 72.578 -1.493 7.091 1.00 0.00 N ATOM 986 CA ILE A 67 72.835 -0.538 8.162 1.00 0.00 C ATOM 987 C ILE A 67 72.267 -1.046 9.480 1.00 0.00 C ATOM 988 O ILE A 67 71.534 -2.035 9.508 1.00 0.00 O ATOM 989 CB ILE A 67 72.217 0.818 7.811 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.730 0.655 7.474 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.946 1.431 6.611 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.878 0.330 8.705 1.00 0.00 C ATOM 0 H ILE A 67 71.629 -1.867 7.077 1.00 0.00 H new ATOM 0 HA ILE A 67 73.913 -0.421 8.273 1.00 0.00 H new ATOM 0 HB ILE A 67 72.318 1.477 8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.363 1.573 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.614 -0.139 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.500 2.395 6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.999 1.570 6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.859 0.764 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.834 0.225 8.408 1.00 0.00 H new ATOM 0 HD12 ILE A 67 70.224 -0.603 9.151 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.969 1.136 9.433 1.00 0.00 H new ATOM 1004 N ASP A 68 72.778 -0.498 10.576 1.00 0.00 N ATOM 1005 CA ASP A 68 72.308 -0.872 11.907 1.00 0.00 C ATOM 1006 C ASP A 68 71.264 0.118 12.415 1.00 0.00 C ATOM 1007 O ASP A 68 71.438 1.331 12.295 1.00 0.00 O ATOM 1008 CB ASP A 68 73.494 -0.937 12.870 1.00 0.00 C ATOM 1009 CG ASP A 68 74.598 -1.790 12.253 1.00 0.00 C ATOM 1010 OD1 ASP A 68 74.308 -2.906 11.857 1.00 0.00 O ATOM 1011 OD2 ASP A 68 75.710 -1.302 12.145 1.00 0.00 O ATOM 0 H ASP A 68 73.516 0.206 10.571 1.00 0.00 H new ATOM 0 HA ASP A 68 71.838 -1.854 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.866 0.067 13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 68 73.180 -1.362 13.823 1.00 0.00 H new ATOM 1016 N SER A 69 70.277 -0.394 13.144 1.00 0.00 N ATOM 1017 CA SER A 69 69.239 0.461 13.712 1.00 0.00 C ATOM 1018 C SER A 69 69.799 1.328 14.837 1.00 0.00 C ATOM 1019 O SER A 69 69.097 1.637 15.801 1.00 0.00 O ATOM 1020 CB SER A 69 68.089 -0.395 14.246 1.00 0.00 C ATOM 1021 OG SER A 69 68.607 -1.403 15.103 1.00 0.00 O ATOM 0 H SER A 69 70.174 -1.387 13.354 1.00 0.00 H new ATOM 0 HA SER A 69 68.869 1.115 12.922 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.379 0.229 14.789 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.546 -0.850 13.418 1.00 0.00 H new ATOM 0 HG SER A 69 67.870 -1.950 15.447 1.00 0.00 H new ATOM 1027 N SER A 70 71.096 1.619 14.769 1.00 0.00 N ATOM 1028 CA SER A 70 71.767 2.436 15.776 1.00 0.00 C ATOM 1029 C SER A 70 71.983 3.858 15.271 1.00 0.00 C ATOM 1030 O SER A 70 72.038 4.798 16.063 1.00 0.00 O ATOM 1031 CB SER A 70 73.120 1.806 16.113 1.00 0.00 C ATOM 1032 OG SER A 70 72.912 0.664 16.931 1.00 0.00 O ATOM 0 H SER A 70 71.708 1.297 14.019 1.00 0.00 H new ATOM 0 HA SER A 70 71.138 2.479 16.665 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.641 1.523 15.198 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.752 2.528 16.630 1.00 0.00 H new ATOM 0 HG SER A 70 73.776 0.256 17.148 1.00 0.00 H new ATOM 1038 N SER A 71 72.282 3.988 13.981 1.00 0.00 N ATOM 1039 CA SER A 71 72.565 5.297 13.404 1.00 0.00 C ATOM 1040 C SER A 71 74.015 5.689 13.671 1.00 0.00 C ATOM 1041 O SER A 71 74.328 6.871 13.808 1.00 0.00 O ATOM 1042 CB SER A 71 71.601 6.349 13.960 1.00 0.00 C ATOM 1043 OG SER A 71 70.360 5.722 14.252 1.00 0.00 O ATOM 0 H SER A 71 72.334 3.211 13.322 1.00 0.00 H new ATOM 0 HA SER A 71 72.418 5.244 12.325 1.00 0.00 H new ATOM 0 HB2 SER A 71 72.016 6.803 14.860 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.458 7.151 13.235 1.00 0.00 H new ATOM 0 HG SER A 71 69.735 6.386 14.611 1.00 0.00 H new ATOM 1049 N ASN A 72 74.857 4.687 13.914 1.00 0.00 N ATOM 1050 CA ASN A 72 76.252 4.927 14.267 1.00 0.00 C ATOM 1051 C ASN A 72 77.145 4.838 13.033 1.00 0.00 C ATOM 1052 O ASN A 72 78.091 5.611 12.889 1.00 0.00 O ATOM 1053 CB ASN A 72 76.710 3.901 15.308 1.00 0.00 C ATOM 1054 CG ASN A 72 77.863 4.455 16.139 1.00 0.00 C ATOM 1055 OD1 ASN A 72 77.638 5.025 17.207 1.00 0.00 O ATOM 1056 ND2 ASN A 72 79.070 4.447 15.644 1.00 0.00 N ATOM 0 H ASN A 72 74.596 3.702 13.873 1.00 0.00 H new ATOM 0 HA ASN A 72 76.333 5.931 14.684 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.877 3.641 15.961 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.023 2.984 14.809 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.828 4.913 16.142 1.00 0.00 H new ATOM 0 HD22 ASN A 72 79.255 3.974 14.759 1.00 0.00 H new ATOM 1063 N SER A 73 76.909 3.829 12.200 1.00 0.00 N ATOM 1064 CA SER A 73 77.732 3.660 11.006 1.00 0.00 C ATOM 1065 C SER A 73 77.043 2.750 9.990 1.00 0.00 C ATOM 1066 O SER A 73 76.216 1.924 10.374 1.00 0.00 O ATOM 1067 CB SER A 73 79.094 3.088 11.401 1.00 0.00 C ATOM 1068 OG SER A 73 78.921 1.770 11.900 1.00 0.00 O ATOM 0 H SER A 73 76.175 3.132 12.323 1.00 0.00 H new ATOM 0 HA SER A 73 77.873 4.634 10.537 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.761 3.079 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.560 3.718 12.158 1.00 0.00 H new ATOM 0 HG SER A 73 79.792 1.399 12.153 1.00 0.00 H new ATOM 1074 N ALA A 74 77.645 2.601 8.812 1.00 0.00 N ATOM 1075 CA ALA A 74 77.069 1.741 7.779 1.00 0.00 C ATOM 1076 C ALA A 74 77.932 0.500 7.572 1.00 0.00 C ATOM 1077 O ALA A 74 79.155 0.593 7.459 1.00 0.00 O ATOM 1078 CB ALA A 74 76.981 2.499 6.452 1.00 0.00 C ATOM 0 H ALA A 74 78.519 3.057 8.550 1.00 0.00 H new ATOM 0 HA ALA A 74 76.073 1.443 8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.551 1.849 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.350 3.379 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.979 2.809 6.143 1.00 0.00 H new ATOM 1084 N SER A 75 77.289 -0.663 7.660 1.00 0.00 N ATOM 1085 CA SER A 75 78.011 -1.937 7.662 1.00 0.00 C ATOM 1086 C SER A 75 77.639 -2.824 6.474 1.00 0.00 C ATOM 1087 O SER A 75 76.469 -2.833 6.092 1.00 0.00 O ATOM 1088 CB SER A 75 77.650 -2.720 8.924 1.00 0.00 C ATOM 1089 OG SER A 75 77.887 -1.914 10.067 1.00 0.00 O ATOM 0 H SER A 75 76.275 -0.751 7.731 1.00 0.00 H new ATOM 0 HA SER A 75 79.072 -1.694 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.603 -3.022 8.890 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.243 -3.633 8.980 1.00 0.00 H new ATOM 0 HG SER A 75 77.069 -1.858 10.603 1.00 0.00 H new ATOM 1095 N LEU A 76 78.615 -3.004 5.589 1.00 0.00 N ATOM 1096 CA LEU A 76 78.580 -3.985 4.505 1.00 0.00 C ATOM 1097 C LEU A 76 79.285 -5.319 4.761 1.00 0.00 C ATOM 1098 O LEU A 76 80.448 -5.323 5.149 1.00 0.00 O ATOM 1099 CB LEU A 76 78.989 -3.304 3.199 1.00 0.00 C ATOM 1100 CG LEU A 76 79.477 -4.320 2.157 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.164 -3.783 0.756 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.986 -4.542 2.323 1.00 0.00 C ATOM 0 H LEU A 76 79.476 -2.458 5.605 1.00 0.00 H new ATOM 0 HA LEU A 76 77.546 -4.321 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 76 78.141 -2.749 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.779 -2.579 3.398 1.00 0.00 H new ATOM 0 HG LEU A 76 78.969 -5.274 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.507 -4.497 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.089 -3.638 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.674 -2.831 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.331 -5.264 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.511 -3.597 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.190 -4.923 3.324 1.00 0.00 H new ATOM 1114 N THR A 77 78.692 -6.421 4.301 1.00 0.00 N ATOM 1115 CA THR A 77 79.416 -7.687 4.164 1.00 0.00 C ATOM 1116 C THR A 77 79.648 -8.096 2.709 1.00 0.00 C ATOM 1117 O THR A 77 78.711 -8.386 1.972 1.00 0.00 O ATOM 1118 CB THR A 77 78.596 -8.760 4.881 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.498 -8.434 6.261 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.246 -10.138 4.739 1.00 0.00 C ATOM 0 H THR A 77 77.713 -6.464 4.017 1.00 0.00 H new ATOM 0 HA THR A 77 80.407 -7.569 4.603 1.00 0.00 H new ATOM 0 HB THR A 77 77.606 -8.794 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.320 -7.987 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.641 -10.881 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.315 -10.401 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.245 -10.115 5.174 1.00 0.00 H new ATOM 1128 N ILE A 78 80.891 -8.403 2.350 1.00 0.00 N ATOM 1129 CA ILE A 78 81.211 -8.939 1.026 1.00 0.00 C ATOM 1130 C ILE A 78 81.531 -10.429 1.111 1.00 0.00 C ATOM 1131 O ILE A 78 82.604 -10.831 1.562 1.00 0.00 O ATOM 1132 CB ILE A 78 82.385 -8.154 0.426 1.00 0.00 C ATOM 1133 CG1 ILE A 78 81.882 -6.887 -0.278 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.161 -8.998 -0.590 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.971 -5.813 -0.250 1.00 0.00 C ATOM 0 H ILE A 78 81.700 -8.290 2.961 1.00 0.00 H new ATOM 0 HA ILE A 78 80.345 -8.826 0.374 1.00 0.00 H new ATOM 0 HB ILE A 78 83.046 -7.887 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.610 -7.116 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 78 80.982 -6.519 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 78 83.986 -8.412 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.555 -9.887 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.495 -9.296 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.609 -4.915 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.221 -5.576 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 78 83.859 -6.182 -0.763 1.00 0.00 H new ATOM 1147 N SER A 79 80.628 -11.245 0.575 1.00 0.00 N ATOM 1148 CA SER A 79 80.820 -12.693 0.538 1.00 0.00 C ATOM 1149 C SER A 79 81.340 -13.155 -0.820 1.00 0.00 C ATOM 1150 O SER A 79 80.929 -12.635 -1.856 1.00 0.00 O ATOM 1151 CB SER A 79 79.491 -13.383 0.856 1.00 0.00 C ATOM 1152 OG SER A 79 79.521 -14.716 0.367 1.00 0.00 O ATOM 0 H SER A 79 79.753 -10.927 0.159 1.00 0.00 H new ATOM 0 HA SER A 79 81.568 -12.963 1.284 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.317 -13.383 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.666 -12.835 0.400 1.00 0.00 H new ATOM 0 HG SER A 79 78.671 -15.159 0.572 1.00 0.00 H new ATOM 1158 N GLY A 80 82.249 -14.126 -0.811 1.00 0.00 N ATOM 1159 CA GLY A 80 82.804 -14.656 -2.053 1.00 0.00 C ATOM 1160 C GLY A 80 83.890 -13.734 -2.597 1.00 0.00 C ATOM 1161 O GLY A 80 84.120 -13.670 -3.803 1.00 0.00 O ATOM 0 H GLY A 80 82.615 -14.560 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.218 -15.649 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.011 -14.768 -2.793 1.00 0.00 H new ATOM 1165 N LEU A 81 84.615 -13.091 -1.691 1.00 0.00 N ATOM 1166 CA LEU A 81 85.732 -12.242 -2.082 1.00 0.00 C ATOM 1167 C LEU A 81 86.727 -13.031 -2.922 1.00 0.00 C ATOM 1168 O LEU A 81 87.012 -14.194 -2.640 1.00 0.00 O ATOM 1169 CB LEU A 81 86.410 -11.690 -0.826 1.00 0.00 C ATOM 1170 CG LEU A 81 87.768 -11.044 -1.138 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.963 -9.765 -0.317 1.00 0.00 C ATOM 1172 CD2 LEU A 81 88.906 -12.016 -0.814 1.00 0.00 C ATOM 0 H LEU A 81 84.451 -13.141 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 81 85.363 -11.412 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.758 -10.953 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.550 -12.496 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 81 87.783 -10.798 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.931 -9.325 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.172 -9.054 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.924 -10.005 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.862 -11.545 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.871 -12.277 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.795 -12.919 -1.415 1.00 0.00 H new ATOM 1184 N LYS A 82 87.341 -12.345 -3.878 1.00 0.00 N ATOM 1185 CA LYS A 82 88.355 -12.974 -4.713 1.00 0.00 C ATOM 1186 C LYS A 82 89.226 -11.914 -5.379 1.00 0.00 C ATOM 1187 O LYS A 82 88.908 -10.726 -5.340 1.00 0.00 O ATOM 1188 CB LYS A 82 87.658 -13.857 -5.755 1.00 0.00 C ATOM 1189 CG LYS A 82 88.231 -15.275 -5.718 1.00 0.00 C ATOM 1190 CD LYS A 82 87.428 -16.201 -6.634 1.00 0.00 C ATOM 1191 CE LYS A 82 88.166 -17.538 -6.739 1.00 0.00 C ATOM 1192 NZ LYS A 82 88.624 -17.945 -5.381 1.00 0.00 N ATOM 0 H LYS A 82 87.157 -11.365 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 82 89.009 -13.595 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.586 -13.885 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.789 -13.430 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.275 -15.260 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.210 -15.656 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.425 -16.352 -6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.314 -15.752 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 82 87.509 -18.299 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 82 89.018 -17.446 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 88.782 -18.973 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 89.512 -17.454 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 87.898 -17.693 -4.680 1.00 0.00 H new ATOM 1206 N THR A 83 90.221 -12.366 -6.136 1.00 0.00 N ATOM 1207 CA THR A 83 91.060 -11.449 -6.899 1.00 0.00 C ATOM 1208 C THR A 83 90.180 -10.434 -7.619 1.00 0.00 C ATOM 1209 O THR A 83 90.655 -9.395 -8.077 1.00 0.00 O ATOM 1210 CB THR A 83 91.919 -12.211 -7.911 1.00 0.00 C ATOM 1211 OG1 THR A 83 92.692 -11.285 -8.660 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.020 -13.002 -8.863 1.00 0.00 C ATOM 0 H THR A 83 90.464 -13.351 -6.237 1.00 0.00 H new ATOM 0 HA THR A 83 91.727 -10.930 -6.211 1.00 0.00 H new ATOM 0 HB THR A 83 92.576 -12.899 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.288 -10.394 -8.596 1.00 0.00 H new ATOM 0 HG21 THR A 83 91.637 -13.542 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 83 90.421 -13.712 -8.292 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.361 -12.316 -9.395 1.00 0.00 H new ATOM 1220 N GLU A 84 88.908 -10.785 -7.775 1.00 0.00 N ATOM 1221 CA GLU A 84 87.951 -9.880 -8.402 1.00 0.00 C ATOM 1222 C GLU A 84 87.613 -8.708 -7.487 1.00 0.00 C ATOM 1223 O GLU A 84 87.500 -7.570 -7.942 1.00 0.00 O ATOM 1224 CB GLU A 84 86.668 -10.633 -8.756 1.00 0.00 C ATOM 1225 CG GLU A 84 86.979 -11.661 -9.846 1.00 0.00 C ATOM 1226 CD GLU A 84 85.723 -12.459 -10.178 1.00 0.00 C ATOM 1227 OE1 GLU A 84 84.996 -12.791 -9.256 1.00 0.00 O ATOM 1228 OE2 GLU A 84 85.538 -12.779 -11.341 1.00 0.00 O ATOM 0 H GLU A 84 88.518 -11.680 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 84 88.411 -9.489 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.267 -11.130 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 84 85.905 -9.936 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.347 -11.157 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.769 -12.333 -9.510 1.00 0.00 H new ATOM 1235 N ASP A 85 87.466 -8.983 -6.193 1.00 0.00 N ATOM 1236 CA ASP A 85 87.138 -7.923 -5.245 1.00 0.00 C ATOM 1237 C ASP A 85 88.332 -6.990 -5.065 1.00 0.00 C ATOM 1238 O ASP A 85 88.193 -5.872 -4.566 1.00 0.00 O ATOM 1239 CB ASP A 85 86.792 -8.547 -3.890 1.00 0.00 C ATOM 1240 CG ASP A 85 86.032 -7.548 -3.025 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.946 -7.157 -3.420 1.00 0.00 O ATOM 1242 OD2 ASP A 85 86.514 -7.242 -1.946 1.00 0.00 O ATOM 0 H ASP A 85 87.566 -9.912 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 85 86.290 -7.356 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.189 -9.443 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.705 -8.858 -3.382 1.00 0.00 H new ATOM 1247 N GLU A 86 89.487 -7.435 -5.550 1.00 0.00 N ATOM 1248 CA GLU A 86 90.695 -6.623 -5.453 1.00 0.00 C ATOM 1249 C GLU A 86 90.469 -5.285 -6.148 1.00 0.00 C ATOM 1250 O GLU A 86 90.175 -5.252 -7.343 1.00 0.00 O ATOM 1251 CB GLU A 86 91.865 -7.339 -6.131 1.00 0.00 C ATOM 1252 CG GLU A 86 93.179 -6.651 -5.754 1.00 0.00 C ATOM 1253 CD GLU A 86 94.354 -7.498 -6.230 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.644 -7.456 -7.414 1.00 0.00 O ATOM 1255 OE2 GLU A 86 94.930 -8.193 -5.409 1.00 0.00 O ATOM 0 H GLU A 86 89.612 -8.338 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 86 90.926 -6.463 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 86 91.890 -8.385 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.734 -7.326 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.225 -5.660 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.232 -6.512 -4.674 1.00 0.00 H new ATOM 1262 N ALA A 87 90.656 -4.191 -5.415 1.00 0.00 N ATOM 1263 CA ALA A 87 90.478 -2.852 -5.970 1.00 0.00 C ATOM 1264 C ALA A 87 90.218 -1.853 -4.846 1.00 0.00 C ATOM 1265 O ALA A 87 90.222 -2.206 -3.668 1.00 0.00 O ATOM 1266 CB ALA A 87 89.312 -2.828 -6.965 1.00 0.00 C ATOM 0 H ALA A 87 90.931 -4.205 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 87 91.391 -2.574 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.197 -1.821 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.515 -3.523 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.394 -3.123 -6.457 1.00 0.00 H new ATOM 1272 N ASP A 88 90.059 -0.585 -5.219 1.00 0.00 N ATOM 1273 CA ASP A 88 89.744 0.459 -4.250 1.00 0.00 C ATOM 1274 C ASP A 88 88.236 0.579 -4.057 1.00 0.00 C ATOM 1275 O ASP A 88 87.474 0.349 -4.995 1.00 0.00 O ATOM 1276 CB ASP A 88 90.300 1.799 -4.733 1.00 0.00 C ATOM 1277 CG ASP A 88 91.824 1.744 -4.750 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.367 0.792 -4.212 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.425 2.676 -5.261 1.00 0.00 O ATOM 0 H ASP A 88 90.143 -0.258 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 88 90.201 0.192 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 88 89.923 2.022 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 88 89.962 2.602 -4.078 1.00 0.00 H new ATOM 1284 N TYR A 89 87.807 0.911 -2.841 1.00 0.00 N ATOM 1285 CA TYR A 89 86.386 1.037 -2.526 1.00 0.00 C ATOM 1286 C TYR A 89 86.061 2.434 -2.005 1.00 0.00 C ATOM 1287 O TYR A 89 86.828 3.020 -1.242 1.00 0.00 O ATOM 1288 CB TYR A 89 86.000 0.000 -1.470 1.00 0.00 C ATOM 1289 CG TYR A 89 86.011 -1.378 -2.089 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.221 -1.935 -2.524 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.809 -2.066 -2.297 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.228 -3.189 -3.146 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.821 -3.333 -2.892 1.00 0.00 C ATOM 1294 CZ TYR A 89 86.034 -3.902 -3.299 1.00 0.00 C ATOM 1295 OH TYR A 89 86.039 -5.122 -3.947 1.00 0.00 O ATOM 0 H TYR A 89 88.428 1.099 -2.054 1.00 0.00 H new ATOM 0 HA TYR A 89 85.818 0.868 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 89 86.698 0.040 -0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.011 0.223 -1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.147 -1.398 -2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.872 -1.619 -1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.156 -3.606 -3.508 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.896 -3.871 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 89 86.846 -5.197 -4.498 1.00 0.00 H new ATOM 1305 N TYR A 90 84.863 2.911 -2.328 1.00 0.00 N ATOM 1306 CA TYR A 90 84.409 4.232 -1.905 1.00 0.00 C ATOM 1307 C TYR A 90 82.925 4.188 -1.542 1.00 0.00 C ATOM 1308 O TYR A 90 82.175 3.398 -2.115 1.00 0.00 O ATOM 1309 CB TYR A 90 84.649 5.238 -3.035 1.00 0.00 C ATOM 1310 CG TYR A 90 86.017 5.033 -3.646 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.258 3.924 -4.465 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.024 5.989 -3.463 1.00 0.00 C ATOM 1313 CE1 TYR A 90 87.528 3.720 -5.020 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.299 5.780 -4.005 1.00 0.00 C ATOM 1315 CZ TYR A 90 88.543 4.662 -4.811 1.00 0.00 C ATOM 1316 OH TYR A 90 89.791 4.479 -5.372 1.00 0.00 O ATOM 0 H TYR A 90 84.183 2.396 -2.887 1.00 0.00 H new ATOM 0 HA TYR A 90 84.971 4.541 -1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 90 83.882 5.124 -3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.565 6.254 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 90 85.462 3.223 -4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.817 6.889 -2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 90 87.724 2.836 -5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 90 89.094 6.482 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 90 90.373 5.228 -5.126 1.00 0.00 H new ATOM 1326 N CYS A 91 82.497 5.028 -0.596 1.00 0.00 N ATOM 1327 CA CYS A 91 81.089 5.134 -0.207 1.00 0.00 C ATOM 1328 C CYS A 91 80.630 6.587 -0.336 1.00 0.00 C ATOM 1329 O CYS A 91 81.343 7.503 0.071 1.00 0.00 O ATOM 1330 CB CYS A 91 80.807 4.596 1.214 1.00 0.00 C ATOM 1331 SG CYS A 91 82.119 4.924 2.432 1.00 0.00 S ATOM 0 H CYS A 91 83.116 5.653 -0.079 1.00 0.00 H new ATOM 0 HA CYS A 91 80.518 4.502 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.878 5.036 1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 91 80.648 3.519 1.154 1.00 0.00 H new ATOM 1336 N GLN A 92 79.401 6.797 -0.809 1.00 0.00 N ATOM 1337 CA GLN A 92 78.822 8.139 -0.843 1.00 0.00 C ATOM 1338 C GLN A 92 77.592 8.204 0.056 1.00 0.00 C ATOM 1339 O GLN A 92 76.775 7.283 0.079 1.00 0.00 O ATOM 1340 CB GLN A 92 78.423 8.542 -2.266 1.00 0.00 C ATOM 1341 CG GLN A 92 79.529 8.175 -3.257 1.00 0.00 C ATOM 1342 CD GLN A 92 79.408 9.020 -4.522 1.00 0.00 C ATOM 1343 OE1 GLN A 92 79.227 10.235 -4.439 1.00 0.00 O ATOM 1344 NE2 GLN A 92 79.588 8.462 -5.687 1.00 0.00 N ATOM 0 H GLN A 92 78.793 6.062 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 92 79.582 8.833 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 92 77.496 8.042 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.232 9.614 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 92 80.505 8.333 -2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 92 79.463 7.117 -3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 92 79.738 7.455 -5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 92 79.579 9.032 -6.533 1.00 0.00 H new ATOM 1353 N SER A 93 77.445 9.316 0.773 1.00 0.00 N ATOM 1354 CA SER A 93 76.310 9.498 1.670 1.00 0.00 C ATOM 1355 C SER A 93 75.728 10.895 1.493 1.00 0.00 C ATOM 1356 O SER A 93 76.415 11.897 1.686 1.00 0.00 O ATOM 1357 CB SER A 93 76.752 9.314 3.124 1.00 0.00 C ATOM 1358 OG SER A 93 77.813 10.209 3.422 1.00 0.00 O ATOM 0 H SER A 93 78.096 10.101 0.750 1.00 0.00 H new ATOM 0 HA SER A 93 75.551 8.754 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 93 75.912 9.495 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.075 8.286 3.288 1.00 0.00 H new ATOM 0 HG SER A 93 77.687 11.043 2.923 1.00 0.00 H new ATOM 1364 N TYR A 94 74.461 10.961 1.103 1.00 0.00 N ATOM 1365 CA TYR A 94 73.780 12.244 0.989 1.00 0.00 C ATOM 1366 C TYR A 94 72.266 12.069 1.040 1.00 0.00 C ATOM 1367 O TYR A 94 71.736 11.029 0.645 1.00 0.00 O ATOM 1368 CB TYR A 94 74.183 12.940 -0.314 1.00 0.00 C ATOM 1369 CG TYR A 94 74.010 11.978 -1.464 1.00 0.00 C ATOM 1370 CD1 TYR A 94 72.773 11.873 -2.109 1.00 0.00 C ATOM 1371 CD2 TYR A 94 75.081 11.171 -1.865 1.00 0.00 C ATOM 1372 CE1 TYR A 94 72.613 10.978 -3.172 1.00 0.00 C ATOM 1373 CE2 TYR A 94 74.916 10.261 -2.916 1.00 0.00 C ATOM 1374 CZ TYR A 94 73.685 10.174 -3.577 1.00 0.00 C ATOM 1375 OH TYR A 94 73.519 9.280 -4.614 1.00 0.00 O ATOM 0 H TYR A 94 73.890 10.151 0.863 1.00 0.00 H new ATOM 0 HA TYR A 94 74.080 12.863 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 94 73.570 13.827 -0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 94 75.219 13.274 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 94 71.942 12.483 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 94 76.034 11.250 -1.364 1.00 0.00 H new ATOM 0 HE1 TYR A 94 71.663 10.907 -3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 94 75.737 9.627 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 94 74.115 8.513 -4.483 1.00 0.00 H new ATOM 1482 N PHE A 102 80.657 12.664 0.755 1.00 0.00 N ATOM 1483 CA PHE A 102 80.803 11.372 0.096 1.00 0.00 C ATOM 1484 C PHE A 102 82.278 11.058 -0.128 1.00 0.00 C ATOM 1485 O PHE A 102 83.089 11.962 -0.324 1.00 0.00 O ATOM 1486 CB PHE A 102 80.076 11.402 -1.250 1.00 0.00 C ATOM 1487 CG PHE A 102 80.421 12.677 -1.981 1.00 0.00 C ATOM 1488 CD1 PHE A 102 79.653 13.827 -1.756 1.00 0.00 C ATOM 1489 CD2 PHE A 102 81.421 12.685 -2.962 1.00 0.00 C ATOM 1490 CE1 PHE A 102 79.965 15.016 -2.423 1.00 0.00 C ATOM 1491 CE2 PHE A 102 81.720 13.871 -3.643 1.00 0.00 C ATOM 1492 CZ PHE A 102 80.983 15.033 -3.385 1.00 0.00 C ATOM 0 HA PHE A 102 80.370 10.599 0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 102 80.363 10.538 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 102 78.999 11.339 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 102 78.821 13.795 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 102 81.960 11.778 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 102 79.421 15.921 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 102 82.520 13.890 -4.368 1.00 0.00 H new ATOM 0 HZ PHE A 102 81.199 15.942 -3.927 1.00 0.00 H new ATOM 1502 N GLY A 103 82.615 9.771 -0.159 1.00 0.00 N ATOM 1503 CA GLY A 103 83.995 9.355 -0.393 1.00 0.00 C ATOM 1504 C GLY A 103 84.322 8.100 0.410 1.00 0.00 C ATOM 1505 O GLY A 103 83.614 7.097 0.325 1.00 0.00 O ATOM 0 H GLY A 103 81.957 9.003 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 103 84.147 9.163 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.675 10.159 -0.113 1.00 0.00 H new ATOM 1509 N GLY A 104 85.432 8.133 1.142 1.00 0.00 N ATOM 1510 CA GLY A 104 85.848 6.981 1.934 1.00 0.00 C ATOM 1511 C GLY A 104 86.645 5.994 1.089 1.00 0.00 C ATOM 1512 O GLY A 104 86.231 4.853 0.891 1.00 0.00 O ATOM 0 H GLY A 104 86.055 8.938 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 104 86.453 7.315 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.971 6.484 2.348 1.00 0.00 H new ATOM 1516 N GLY A 105 87.790 6.439 0.584 1.00 0.00 N ATOM 1517 CA GLY A 105 88.620 5.585 -0.255 1.00 0.00 C ATOM 1518 C GLY A 105 89.374 4.561 0.584 1.00 0.00 C ATOM 1519 O GLY A 105 90.273 4.912 1.347 1.00 0.00 O ATOM 0 H GLY A 105 88.161 7.376 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 105 87.996 5.072 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.329 6.196 -0.813 1.00 0.00 H new ATOM 1523 N THR A 106 88.989 3.295 0.459 1.00 0.00 N ATOM 1524 CA THR A 106 89.627 2.214 1.203 1.00 0.00 C ATOM 1525 C THR A 106 90.291 1.230 0.246 1.00 0.00 C ATOM 1526 O THR A 106 89.647 0.694 -0.656 1.00 0.00 O ATOM 1527 CB THR A 106 88.571 1.485 2.035 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.059 2.364 3.024 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.189 0.265 2.719 1.00 0.00 C ATOM 0 H THR A 106 88.233 2.991 -0.155 1.00 0.00 H new ATOM 0 HA THR A 106 90.391 2.634 1.858 1.00 0.00 H new ATOM 0 HB THR A 106 87.766 1.158 1.377 1.00 0.00 H new ATOM 0 HG1 THR A 106 87.279 2.838 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.428 -0.246 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.581 -0.416 1.964 1.00 0.00 H new ATOM 0 HG23 THR A 106 89.999 0.586 3.373 1.00 0.00 H new ATOM 1537 N LYS A 107 91.607 1.090 0.374 1.00 0.00 N ATOM 1538 CA LYS A 107 92.351 0.164 -0.472 1.00 0.00 C ATOM 1539 C LYS A 107 92.173 -1.263 0.035 1.00 0.00 C ATOM 1540 O LYS A 107 92.746 -1.632 1.060 1.00 0.00 O ATOM 1541 CB LYS A 107 93.842 0.517 -0.470 1.00 0.00 C ATOM 1542 CG LYS A 107 94.513 -0.026 -1.734 1.00 0.00 C ATOM 1543 CD LYS A 107 96.003 0.322 -1.702 1.00 0.00 C ATOM 1544 CE LYS A 107 96.636 -0.010 -3.054 1.00 0.00 C ATOM 1545 NZ LYS A 107 96.384 -1.439 -3.395 1.00 0.00 N ATOM 0 H LYS A 107 92.176 1.601 1.049 1.00 0.00 H new ATOM 0 HA LYS A 107 91.966 0.242 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 107 93.967 1.599 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.322 0.098 0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 107 94.381 -1.106 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 107 94.046 0.403 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 107 96.135 1.380 -1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.500 -0.237 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 107 96.222 0.636 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 107 97.709 0.181 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 97.027 -1.733 -4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 96.549 -2.031 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 95.399 -1.552 -3.710 1.00 0.00 H new ATOM 1559 N LEU A 108 91.565 -2.115 -0.785 1.00 0.00 N ATOM 1560 CA LEU A 108 91.384 -3.517 -0.429 1.00 0.00 C ATOM 1561 C LEU A 108 92.264 -4.396 -1.310 1.00 0.00 C ATOM 1562 O LEU A 108 92.268 -4.260 -2.533 1.00 0.00 O ATOM 1563 CB LEU A 108 89.912 -3.894 -0.610 1.00 0.00 C ATOM 1564 CG LEU A 108 89.664 -5.320 -0.110 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.720 -5.377 1.419 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.298 -5.812 -0.591 1.00 0.00 C ATOM 0 H LEU A 108 91.190 -1.859 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 108 91.672 -3.670 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.280 -3.194 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.636 -3.817 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 108 90.446 -5.964 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.541 -6.399 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.703 -5.051 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 108 88.956 -4.721 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.129 -6.827 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.518 -5.156 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.272 -5.804 -1.681 1.00 0.00 H new ATOM 1578 N THR A 109 93.071 -5.242 -0.674 1.00 0.00 N ATOM 1579 CA THR A 109 93.938 -6.172 -1.390 1.00 0.00 C ATOM 1580 C THR A 109 93.582 -7.610 -1.035 1.00 0.00 C ATOM 1581 O THR A 109 93.464 -7.965 0.137 1.00 0.00 O ATOM 1582 CB THR A 109 95.400 -5.902 -1.026 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.585 -4.504 -0.870 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.315 -6.422 -2.138 1.00 0.00 C ATOM 0 H THR A 109 93.142 -5.302 0.342 1.00 0.00 H new ATOM 0 HA THR A 109 93.796 -6.027 -2.461 1.00 0.00 H new ATOM 0 HB THR A 109 95.647 -6.413 -0.096 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.519 -4.322 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.355 -6.228 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.166 -7.495 -2.260 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.077 -5.914 -3.073 1.00 0.00 H new ATOM 1592 N VAL A 110 93.475 -8.458 -2.052 1.00 0.00 N ATOM 1593 CA VAL A 110 93.156 -9.861 -1.816 1.00 0.00 C ATOM 1594 C VAL A 110 94.425 -10.659 -1.529 1.00 0.00 C ATOM 1595 O VAL A 110 94.613 -11.762 -2.038 1.00 0.00 O ATOM 1596 CB VAL A 110 92.441 -10.441 -3.042 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.114 -11.926 -2.823 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.163 -9.638 -3.310 1.00 0.00 C ATOM 0 H VAL A 110 93.602 -8.205 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 110 92.501 -9.930 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 110 93.097 -10.368 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.607 -12.321 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.037 -12.481 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.466 -12.031 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.652 -10.048 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.506 -9.699 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.421 -8.596 -3.497 1.00 0.00 H new ATOM 1608 N LEU A 111 95.283 -10.111 -0.674 1.00 0.00 N ATOM 1609 CA LEU A 111 96.543 -10.762 -0.328 1.00 0.00 C ATOM 1610 C LEU A 111 97.170 -11.421 -1.555 1.00 0.00 C ATOM 1611 O LEU A 111 98.108 -12.180 -1.374 1.00 0.00 O ATOM 1612 CB LEU A 111 96.300 -11.803 0.774 1.00 0.00 C ATOM 1613 CG LEU A 111 96.502 -11.189 2.165 1.00 0.00 C ATOM 1614 CD1 LEU A 111 95.759 -12.013 3.221 1.00 0.00 C ATOM 1615 CD2 LEU A 111 97.993 -11.143 2.514 1.00 0.00 C ATOM 1616 OXT LEU A 111 96.794 -11.060 -2.658 1.00 0.00 O ATOM 0 H LEU A 111 95.129 -9.217 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 111 97.238 -10.007 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.287 -12.197 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 111 96.981 -12.644 0.641 1.00 0.00 H new ATOM 0 HG LEU A 111 96.104 -10.174 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 111 95.911 -11.567 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 111 94.694 -12.027 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.143 -13.033 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.122 -10.705 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.399 -12.154 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.521 -10.537 1.778 1.00 0.00 H new