USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 863 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 34 TYR OH : rot 180:sc= -0.563 USER MOD Set 1.2: A 101 ASN : amide:sc= -0.357 X(o=-0.92,f=-0.65) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.94 (180deg=-0.0519) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= -0.0228 (180deg=-0.0228) USER MOD Single : A 7 TYR OH : rot 109:sc= 1.97 USER MOD Single : A 8 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.3!) USER MOD Single : A 10 SER OG : rot -41:sc= 0.245 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 41:sc= 1.19 USER MOD Single : A 15 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.087) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 21:sc= 0.0216 USER MOD Single : A 23 MET CE :methyl 165:sc= 0 (180deg=-0.121) USER MOD Single : A 29 SER OG : rot 82:sc= 0.127 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.4) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 45 MET CE :methyl -176:sc= -6.21! (180deg=-6.35!) USER MOD Single : A 46 MET CE :methyl -136:sc= -1.04 (180deg=-3.85!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -62:sc= 0.712 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 74 LYS NZ :NH3+ -147:sc= -0.391 (180deg=-1.68!) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.012 (180deg=-0.152) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0837 USER MOD Single : A 80 SER OG : rot 141:sc= 1.62 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.226 K(o=-0.23,f=-4.5!) USER MOD Single : A 88 MET CE :methyl 144:sc= -0.0981 (180deg=-0.647) USER MOD Single : A 89 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.134) USER MOD Single : A 90 LYS NZ :NH3+ 166:sc=-0.00724 (180deg=-0.126) USER MOD Single : A 93 LYS NZ :NH3+ -135:sc= -0.238 (180deg=-1.75!) USER MOD Single : A 95 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= -0.356 (180deg=-1.41) USER MOD Single : A 102 LYS NZ :NH3+ -128:sc= 0.589 (180deg=-0.495) USER MOD Single : A 105 LYS NZ :NH3+ 155:sc= -0.384 (180deg=-1.14) USER MOD Single : A 108 THR OG1 : rot 14:sc= 0.887 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.120 -1.541 -1.684 1.00 0.00 N ATOM 2 CA MET A 1 1.331 -0.337 -1.451 1.00 0.00 C ATOM 3 C MET A 1 0.372 -0.082 -2.610 1.00 0.00 C ATOM 4 O MET A 1 0.428 -0.760 -3.636 1.00 0.00 O ATOM 5 CB MET A 1 2.249 0.872 -1.259 1.00 0.00 C ATOM 6 CG MET A 1 3.128 1.164 -2.464 1.00 0.00 C ATOM 7 SD MET A 1 4.706 0.294 -2.401 1.00 0.00 S ATOM 8 CE MET A 1 5.629 1.347 -1.286 1.00 0.00 C ATOM 0 H1 MET A 1 2.104 -2.137 -0.832 1.00 0.00 H new ATOM 0 H2 MET A 1 1.718 -2.070 -2.484 1.00 0.00 H new ATOM 0 H3 MET A 1 3.102 -1.276 -1.902 1.00 0.00 H new ATOM 0 HA MET A 1 0.746 -0.487 -0.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.640 1.750 -1.042 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.884 0.702 -0.389 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.597 0.880 -3.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.311 2.237 -2.523 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.630 0.940 -1.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.701 2.349 -1.708 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.119 1.394 -0.324 1.00 0.00 H new ATOM 18 N THR A 2 -0.509 0.899 -2.439 1.00 0.00 N ATOM 19 CA THR A 2 -1.481 1.241 -3.469 1.00 0.00 C ATOM 20 C THR A 2 -1.093 2.530 -4.185 1.00 0.00 C ATOM 21 O THR A 2 -1.193 3.620 -3.620 1.00 0.00 O ATOM 22 CB THR A 2 -2.894 1.402 -2.878 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.312 0.176 -2.267 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.890 1.802 -3.956 1.00 0.00 C ATOM 0 H THR A 2 -0.569 1.471 -1.596 1.00 0.00 H new ATOM 0 HA THR A 2 -1.486 0.418 -4.184 1.00 0.00 H new ATOM 0 HB THR A 2 -2.861 2.190 -2.126 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.211 0.287 -1.892 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.881 1.910 -3.514 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.585 2.750 -4.399 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.919 1.033 -4.728 1.00 0.00 H new ATOM 32 N LEU A 3 -0.649 2.399 -5.430 1.00 0.00 N ATOM 33 CA LEU A 3 -0.246 3.555 -6.224 1.00 0.00 C ATOM 34 C LEU A 3 -1.420 4.094 -7.035 1.00 0.00 C ATOM 35 O LEU A 3 -1.853 3.474 -8.007 1.00 0.00 O ATOM 36 CB LEU A 3 0.905 3.180 -7.159 1.00 0.00 C ATOM 37 CG LEU A 3 2.280 3.033 -6.506 1.00 0.00 C ATOM 38 CD1 LEU A 3 3.325 2.650 -7.542 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.674 4.322 -5.799 1.00 0.00 C ATOM 0 H LEU A 3 -0.559 1.504 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 3 0.089 4.335 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.656 2.239 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.975 3.938 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 3 2.226 2.236 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.297 2.550 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.050 1.701 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.379 3.424 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.655 4.200 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.711 5.137 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.939 4.554 -5.028 1.00 0.00 H new ATOM 51 N CYS A 4 -1.928 5.253 -6.631 1.00 0.00 N ATOM 52 CA CYS A 4 -3.051 5.878 -7.322 1.00 0.00 C ATOM 53 C CYS A 4 -2.656 7.241 -7.880 1.00 0.00 C ATOM 54 O CYS A 4 -1.589 7.766 -7.565 1.00 0.00 O ATOM 55 CB CYS A 4 -4.241 6.027 -6.373 1.00 0.00 C ATOM 56 SG CYS A 4 -3.949 7.163 -4.997 1.00 0.00 S ATOM 0 H CYS A 4 -1.581 5.779 -5.829 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.337 5.235 -8.154 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.104 6.375 -6.941 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.498 5.046 -5.972 1.00 0.00 H new ATOM 0 HG CYS A 4 -5.012 7.224 -4.252 1.00 0.00 H new ATOM 62 N ALA A 5 -3.523 7.807 -8.713 1.00 0.00 N ATOM 63 CA ALA A 5 -3.265 9.109 -9.315 1.00 0.00 C ATOM 64 C ALA A 5 -4.513 9.985 -9.284 1.00 0.00 C ATOM 65 O ALA A 5 -5.626 9.490 -9.113 1.00 0.00 O ATOM 66 CB ALA A 5 -2.772 8.941 -10.745 1.00 0.00 C ATOM 0 H ALA A 5 -4.410 7.384 -8.986 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.490 9.605 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.583 9.921 -11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.850 8.360 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.529 8.421 -11.332 1.00 0.00 H new ATOM 72 N MET A 6 -4.319 11.290 -9.451 1.00 0.00 N ATOM 73 CA MET A 6 -5.429 12.235 -9.442 1.00 0.00 C ATOM 74 C MET A 6 -5.712 12.754 -10.848 1.00 0.00 C ATOM 75 O MET A 6 -4.795 13.132 -11.577 1.00 0.00 O ATOM 76 CB MET A 6 -5.124 13.405 -8.505 1.00 0.00 C ATOM 77 CG MET A 6 -5.107 13.018 -7.035 1.00 0.00 C ATOM 78 SD MET A 6 -6.762 12.872 -6.335 1.00 0.00 S ATOM 79 CE MET A 6 -6.510 11.562 -5.140 1.00 0.00 C ATOM 0 H MET A 6 -3.403 11.716 -9.594 1.00 0.00 H new ATOM 0 HA MET A 6 -6.315 11.713 -9.081 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.156 13.830 -8.771 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.869 14.186 -8.658 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.583 12.069 -6.919 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.544 13.764 -6.474 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.447 11.356 -4.623 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.173 10.661 -5.653 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.756 11.870 -4.416 1.00 0.00 H new ATOM 89 N TYR A 7 -6.986 12.770 -11.223 1.00 0.00 N ATOM 90 CA TYR A 7 -7.389 13.240 -12.543 1.00 0.00 C ATOM 91 C TYR A 7 -8.342 14.426 -12.431 1.00 0.00 C ATOM 92 O TYR A 7 -9.509 14.268 -12.074 1.00 0.00 O ATOM 93 CB TYR A 7 -8.054 12.110 -13.330 1.00 0.00 C ATOM 94 CG TYR A 7 -7.818 12.190 -14.821 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.042 13.371 -15.517 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.371 11.084 -15.534 1.00 0.00 C ATOM 97 CE1 TYR A 7 -7.829 13.448 -16.880 1.00 0.00 C ATOM 98 CE2 TYR A 7 -7.153 11.153 -16.896 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.384 12.337 -17.565 1.00 0.00 C ATOM 100 OH TYR A 7 -7.169 12.409 -18.922 1.00 0.00 O ATOM 0 H TYR A 7 -7.758 12.463 -10.631 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.494 13.565 -13.074 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.681 11.154 -12.962 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.127 12.128 -13.139 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.389 14.244 -14.984 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.191 10.155 -15.014 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.010 14.374 -17.406 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.803 10.285 -17.434 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.206 12.378 -19.103 1.00 0.00 H new ATOM 110 N ASN A 8 -7.836 15.616 -12.740 1.00 0.00 N ATOM 111 CA ASN A 8 -8.641 16.830 -12.675 1.00 0.00 C ATOM 112 C ASN A 8 -9.290 17.125 -14.024 1.00 0.00 C ATOM 113 O ASN A 8 -8.617 17.532 -14.972 1.00 0.00 O ATOM 114 CB ASN A 8 -7.778 18.016 -12.240 1.00 0.00 C ATOM 115 CG ASN A 8 -8.470 18.887 -11.209 1.00 0.00 C ATOM 116 OD1 ASN A 8 -9.351 19.680 -11.540 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.071 18.742 -9.950 1.00 0.00 N ATOM 0 H ASN A 8 -6.872 15.765 -13.038 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.430 16.675 -11.939 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.839 17.647 -11.828 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.528 18.619 -13.113 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.499 19.301 -9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.337 18.072 -9.722 1.00 0.00 H new ATOM 124 N ILE A 9 -10.600 16.919 -14.102 1.00 0.00 N ATOM 125 CA ILE A 9 -11.340 17.165 -15.334 1.00 0.00 C ATOM 126 C ILE A 9 -12.404 18.237 -15.131 1.00 0.00 C ATOM 127 O ILE A 9 -13.283 18.102 -14.279 1.00 0.00 O ATOM 128 CB ILE A 9 -12.013 15.880 -15.852 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.822 16.177 -17.117 1.00 0.00 C ATOM 130 CG2 ILE A 9 -12.905 15.279 -14.776 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.454 14.948 -17.732 1.00 0.00 C ATOM 0 H ILE A 9 -11.171 16.582 -13.327 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.617 17.510 -16.073 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.237 15.156 -16.100 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.605 16.897 -16.877 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.170 16.648 -17.853 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.374 14.372 -15.157 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.305 15.037 -13.899 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.677 15.998 -14.500 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.011 15.233 -18.624 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.675 14.235 -18.003 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.132 14.489 -17.012 1.00 0.00 H new ATOM 143 N SER A 10 -12.321 19.303 -15.920 1.00 0.00 N ATOM 144 CA SER A 10 -13.276 20.401 -15.826 1.00 0.00 C ATOM 145 C SER A 10 -13.816 20.770 -17.204 1.00 0.00 C ATOM 146 O SER A 10 -13.054 21.088 -18.117 1.00 0.00 O ATOM 147 CB SER A 10 -12.620 21.622 -15.179 1.00 0.00 C ATOM 148 OG SER A 10 -13.572 22.401 -14.477 1.00 0.00 O ATOM 0 H SER A 10 -11.602 19.430 -16.632 1.00 0.00 H new ATOM 0 HA SER A 10 -14.109 20.073 -15.204 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.836 21.298 -14.495 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.142 22.231 -15.946 1.00 0.00 H new ATOM 0 HG SER A 10 -14.401 22.452 -14.997 1.00 0.00 H new ATOM 154 N MET A 11 -15.137 20.725 -17.347 1.00 0.00 N ATOM 155 CA MET A 11 -15.781 21.056 -18.613 1.00 0.00 C ATOM 156 C MET A 11 -16.022 22.558 -18.724 1.00 0.00 C ATOM 157 O MET A 11 -16.177 23.247 -17.716 1.00 0.00 O ATOM 158 CB MET A 11 -17.106 20.304 -18.748 1.00 0.00 C ATOM 159 CG MET A 11 -17.494 20.009 -20.188 1.00 0.00 C ATOM 160 SD MET A 11 -18.598 21.256 -20.878 1.00 0.00 S ATOM 161 CE MET A 11 -19.504 20.280 -22.076 1.00 0.00 C ATOM 0 H MET A 11 -15.782 20.463 -16.602 1.00 0.00 H new ATOM 0 HA MET A 11 -15.115 20.752 -19.421 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.039 19.365 -18.199 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.897 20.891 -18.280 1.00 0.00 H new ATOM 0 HG2 MET A 11 -16.593 19.949 -20.798 1.00 0.00 H new ATOM 0 HG3 MET A 11 -17.978 19.033 -20.238 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.229 20.913 -22.588 1.00 0.00 H new ATOM 0 HE2 MET A 11 -18.809 19.862 -22.805 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.026 19.470 -21.566 1.00 0.00 H new ATOM 171 N ALA A 12 -16.052 23.059 -19.954 1.00 0.00 N ATOM 172 CA ALA A 12 -16.276 24.479 -20.196 1.00 0.00 C ATOM 173 C ALA A 12 -17.520 24.971 -19.464 1.00 0.00 C ATOM 174 O ALA A 12 -18.637 24.562 -19.774 1.00 0.00 O ATOM 175 CB ALA A 12 -16.400 24.747 -21.689 1.00 0.00 C ATOM 0 H ALA A 12 -15.924 22.502 -20.799 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.417 25.028 -19.809 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.567 25.811 -21.855 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.482 24.441 -22.191 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.240 24.181 -22.092 1.00 0.00 H new ATOM 181 N GLY A 13 -17.317 25.851 -18.488 1.00 0.00 N ATOM 182 CA GLY A 13 -18.431 26.384 -17.726 1.00 0.00 C ATOM 183 C GLY A 13 -18.902 25.432 -16.645 1.00 0.00 C ATOM 184 O GLY A 13 -20.100 25.188 -16.501 1.00 0.00 O ATOM 0 H GLY A 13 -16.401 26.204 -18.212 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.136 27.329 -17.270 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.259 26.600 -18.401 1.00 0.00 H new ATOM 188 N SER A 14 -17.957 24.890 -15.883 1.00 0.00 N ATOM 189 CA SER A 14 -18.280 23.954 -14.813 1.00 0.00 C ATOM 190 C SER A 14 -17.068 23.711 -13.919 1.00 0.00 C ATOM 191 O SER A 14 -15.951 23.528 -14.404 1.00 0.00 O ATOM 192 CB SER A 14 -18.772 22.629 -15.397 1.00 0.00 C ATOM 193 OG SER A 14 -20.176 22.646 -15.590 1.00 0.00 O ATOM 0 H SER A 14 -16.961 25.083 -15.987 1.00 0.00 H new ATOM 0 HA SER A 14 -19.073 24.392 -14.208 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.273 22.440 -16.348 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.504 21.811 -14.728 1.00 0.00 H new ATOM 0 HG SER A 14 -20.447 23.520 -15.941 1.00 0.00 H new ATOM 199 N HIS A 15 -17.297 23.710 -12.609 1.00 0.00 N ATOM 200 CA HIS A 15 -16.225 23.489 -11.646 1.00 0.00 C ATOM 201 C HIS A 15 -15.444 22.223 -11.984 1.00 0.00 C ATOM 202 O HIS A 15 -15.940 21.319 -12.656 1.00 0.00 O ATOM 203 CB HIS A 15 -16.795 23.388 -10.230 1.00 0.00 C ATOM 204 CG HIS A 15 -18.011 22.518 -10.135 1.00 0.00 C ATOM 205 ND1 HIS A 15 -19.201 22.947 -9.587 1.00 0.00 N ATOM 206 CD2 HIS A 15 -18.216 21.238 -10.524 1.00 0.00 C ATOM 207 CE1 HIS A 15 -20.086 21.967 -9.641 1.00 0.00 C ATOM 208 NE2 HIS A 15 -19.514 20.919 -10.205 1.00 0.00 N ATOM 0 H HIS A 15 -18.215 23.860 -12.191 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.544 24.339 -11.696 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -16.026 22.997 -9.564 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.045 24.388 -9.876 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -17.494 20.589 -10.997 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -21.104 22.015 -9.284 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -19.963 20.019 -10.376 1.00 0.00 H new ATOM 216 N PRO A 16 -14.191 22.154 -11.508 1.00 0.00 N ATOM 217 CA PRO A 16 -13.315 21.004 -11.747 1.00 0.00 C ATOM 218 C PRO A 16 -13.773 19.760 -10.995 1.00 0.00 C ATOM 219 O PRO A 16 -14.388 19.855 -9.932 1.00 0.00 O ATOM 220 CB PRO A 16 -11.957 21.477 -11.222 1.00 0.00 C ATOM 221 CG PRO A 16 -12.285 22.518 -10.208 1.00 0.00 C ATOM 222 CD PRO A 16 -13.535 23.195 -10.699 1.00 0.00 C ATOM 0 HA PRO A 16 -13.303 20.712 -12.797 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.396 20.655 -10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.343 21.885 -12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.443 22.071 -9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.469 23.233 -10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.167 23.520 -9.873 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.306 24.080 -11.292 1.00 0.00 H new ATOM 230 N THR A 17 -13.470 18.591 -11.552 1.00 0.00 N ATOM 231 CA THR A 17 -13.852 17.328 -10.934 1.00 0.00 C ATOM 232 C THR A 17 -12.627 16.469 -10.637 1.00 0.00 C ATOM 233 O THR A 17 -11.888 16.088 -11.544 1.00 0.00 O ATOM 234 CB THR A 17 -14.817 16.531 -11.832 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.023 17.276 -12.037 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.146 15.183 -11.211 1.00 0.00 C ATOM 0 H THR A 17 -12.961 18.493 -12.430 1.00 0.00 H new ATOM 0 HA THR A 17 -14.357 17.574 -10.000 1.00 0.00 H new ATOM 0 HB THR A 17 -14.329 16.360 -12.791 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.631 16.764 -12.610 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.829 14.639 -11.863 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.229 14.607 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.616 15.335 -10.239 1.00 0.00 H new ATOM 244 N THR A 18 -12.418 16.168 -9.359 1.00 0.00 N ATOM 245 CA THR A 18 -11.283 15.354 -8.942 1.00 0.00 C ATOM 246 C THR A 18 -11.606 13.868 -9.038 1.00 0.00 C ATOM 247 O THR A 18 -12.362 13.334 -8.226 1.00 0.00 O ATOM 248 CB THR A 18 -10.857 15.683 -7.498 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.008 17.085 -7.250 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.412 15.272 -7.254 1.00 0.00 C ATOM 0 H THR A 18 -13.020 16.476 -8.595 1.00 0.00 H new ATOM 0 HA THR A 18 -10.461 15.588 -9.619 1.00 0.00 H new ATOM 0 HB THR A 18 -11.498 15.123 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.737 17.285 -6.330 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.133 15.514 -6.228 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.307 14.199 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.760 15.808 -7.943 1.00 0.00 H new ATOM 258 N ILE A 19 -11.030 13.205 -10.035 1.00 0.00 N ATOM 259 CA ILE A 19 -11.256 11.779 -10.235 1.00 0.00 C ATOM 260 C ILE A 19 -9.998 10.974 -9.927 1.00 0.00 C ATOM 261 O ILE A 19 -9.030 11.000 -10.687 1.00 0.00 O ATOM 262 CB ILE A 19 -11.704 11.477 -11.678 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.800 12.454 -12.109 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.192 10.041 -11.792 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.305 12.213 -13.515 1.00 0.00 C ATOM 0 H ILE A 19 -10.403 13.633 -10.717 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.049 11.486 -9.547 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.849 11.603 -12.342 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.636 12.380 -11.414 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.416 13.472 -12.039 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.505 9.843 -12.817 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.385 9.360 -11.521 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.036 9.889 -11.119 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.080 12.942 -13.753 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.481 12.316 -14.220 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.719 11.207 -13.586 1.00 0.00 H new ATOM 277 N CYS A 20 -10.021 10.259 -8.807 1.00 0.00 N ATOM 278 CA CYS A 20 -8.882 9.444 -8.398 1.00 0.00 C ATOM 279 C CYS A 20 -8.954 8.055 -9.024 1.00 0.00 C ATOM 280 O CYS A 20 -9.982 7.382 -8.950 1.00 0.00 O ATOM 281 CB CYS A 20 -8.833 9.329 -6.874 1.00 0.00 C ATOM 282 SG CYS A 20 -10.319 8.604 -6.141 1.00 0.00 S ATOM 0 H CYS A 20 -10.815 10.227 -8.167 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.972 9.932 -8.748 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.970 8.725 -6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.679 10.321 -6.450 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.957 7.918 -7.042 1.00 0.00 H new ATOM 288 N VAL A 21 -7.856 7.632 -9.641 1.00 0.00 N ATOM 289 CA VAL A 21 -7.794 6.323 -10.280 1.00 0.00 C ATOM 290 C VAL A 21 -6.406 5.709 -10.142 1.00 0.00 C ATOM 291 O VAL A 21 -5.397 6.415 -10.163 1.00 0.00 O ATOM 292 CB VAL A 21 -8.158 6.411 -11.775 1.00 0.00 C ATOM 293 CG1 VAL A 21 -8.303 5.019 -12.371 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.434 7.218 -11.965 1.00 0.00 C ATOM 0 H VAL A 21 -6.997 8.177 -9.712 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.521 5.688 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.351 6.922 -12.300 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.560 5.100 -13.427 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.362 4.479 -12.267 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.091 4.479 -11.846 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.677 7.270 -13.026 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.252 6.737 -11.429 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.288 8.226 -11.576 1.00 0.00 H new ATOM 304 N VAL A 22 -6.361 4.388 -10.001 1.00 0.00 N ATOM 305 CA VAL A 22 -5.096 3.677 -9.860 1.00 0.00 C ATOM 306 C VAL A 22 -4.128 4.050 -10.978 1.00 0.00 C ATOM 307 O VAL A 22 -4.540 4.526 -12.035 1.00 0.00 O ATOM 308 CB VAL A 22 -5.306 2.151 -9.867 1.00 0.00 C ATOM 309 CG1 VAL A 22 -5.898 1.688 -8.544 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.195 1.741 -11.031 1.00 0.00 C ATOM 0 H VAL A 22 -7.186 3.789 -9.981 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.672 3.974 -8.901 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.337 1.668 -9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.040 0.607 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.220 1.948 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.859 2.176 -8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.333 0.660 -11.020 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.164 2.231 -10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.726 2.038 -11.969 1.00 0.00 H new ATOM 320 N MET A 23 -2.840 3.830 -10.736 1.00 0.00 N ATOM 321 CA MET A 23 -1.814 4.142 -11.724 1.00 0.00 C ATOM 322 C MET A 23 -1.820 3.120 -12.857 1.00 0.00 C ATOM 323 O MET A 23 -1.394 3.415 -13.973 1.00 0.00 O ATOM 324 CB MET A 23 -0.434 4.179 -11.063 1.00 0.00 C ATOM 325 CG MET A 23 0.081 2.809 -10.655 1.00 0.00 C ATOM 326 SD MET A 23 1.163 2.076 -11.898 1.00 0.00 S ATOM 327 CE MET A 23 1.971 0.801 -10.934 1.00 0.00 C ATOM 0 H MET A 23 -2.482 3.437 -9.865 1.00 0.00 H new ATOM 0 HA MET A 23 -2.036 5.124 -12.143 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.277 4.635 -11.751 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.479 4.818 -10.181 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.622 2.894 -9.713 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.765 2.145 -10.478 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.463 0.096 -11.604 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.713 1.256 -10.278 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.230 0.274 -10.333 1.00 0.00 H new ATOM 337 N ASP A 24 -2.306 1.919 -12.561 1.00 0.00 N ATOM 338 CA ASP A 24 -2.368 0.854 -13.555 1.00 0.00 C ATOM 339 C ASP A 24 -3.523 1.083 -14.525 1.00 0.00 C ATOM 340 O ASP A 24 -3.492 0.616 -15.664 1.00 0.00 O ATOM 341 CB ASP A 24 -2.524 -0.504 -12.869 1.00 0.00 C ATOM 342 CG ASP A 24 -1.275 -0.919 -12.116 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.221 -1.087 -12.764 1.00 0.00 O ATOM 344 OD2 ASP A 24 -1.352 -1.077 -10.880 1.00 0.00 O ATOM 0 H ASP A 24 -2.662 1.659 -11.641 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.436 0.862 -14.120 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.365 -0.464 -12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.762 -1.260 -13.617 1.00 0.00 H new ATOM 349 N ARG A 25 -4.540 1.804 -14.066 1.00 0.00 N ATOM 350 CA ARG A 25 -5.706 2.093 -14.893 1.00 0.00 C ATOM 351 C ARG A 25 -5.714 3.555 -15.330 1.00 0.00 C ATOM 352 O ARG A 25 -6.528 3.962 -16.159 1.00 0.00 O ATOM 353 CB ARG A 25 -6.992 1.772 -14.129 1.00 0.00 C ATOM 354 CG ARG A 25 -8.188 1.513 -15.030 1.00 0.00 C ATOM 355 CD ARG A 25 -9.311 0.815 -14.280 1.00 0.00 C ATOM 356 NE ARG A 25 -9.749 1.581 -13.115 1.00 0.00 N ATOM 357 CZ ARG A 25 -10.913 1.388 -12.505 1.00 0.00 C ATOM 358 NH1 ARG A 25 -11.751 0.460 -12.945 1.00 0.00 N ATOM 359 NH2 ARG A 25 -11.240 2.125 -11.451 1.00 0.00 N ATOM 0 H ARG A 25 -4.581 2.199 -13.126 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.653 1.466 -15.783 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.823 0.896 -13.503 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.224 2.601 -13.461 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.551 2.458 -15.434 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.880 0.901 -15.878 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.156 0.662 -14.952 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.975 -0.171 -13.960 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.127 2.303 -12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.503 -0.109 -13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.644 0.315 -12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.597 2.840 -11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.134 1.977 -10.983 1.00 0.00 H new ATOM 373 N PHE A 26 -4.802 4.341 -14.766 1.00 0.00 N ATOM 374 CA PHE A 26 -4.704 5.758 -15.097 1.00 0.00 C ATOM 375 C PHE A 26 -4.626 5.960 -16.607 1.00 0.00 C ATOM 376 O PHE A 26 -5.318 6.810 -17.168 1.00 0.00 O ATOM 377 CB PHE A 26 -3.477 6.377 -14.423 1.00 0.00 C ATOM 378 CG PHE A 26 -3.630 7.842 -14.130 1.00 0.00 C ATOM 379 CD1 PHE A 26 -4.720 8.308 -13.413 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.683 8.752 -14.570 1.00 0.00 C ATOM 381 CE1 PHE A 26 -4.863 9.656 -13.142 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.821 10.101 -14.302 1.00 0.00 C ATOM 383 CZ PHE A 26 -3.912 10.553 -13.586 1.00 0.00 C ATOM 0 H PHE A 26 -4.121 4.021 -14.078 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.602 6.255 -14.728 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.278 5.847 -13.492 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.608 6.232 -15.064 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.466 7.611 -13.062 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.827 8.404 -15.129 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.718 10.007 -12.583 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.077 10.801 -14.652 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.021 11.606 -13.374 1.00 0.00 H new ATOM 393 N LEU A 27 -3.777 5.174 -17.260 1.00 0.00 N ATOM 394 CA LEU A 27 -3.606 5.266 -18.705 1.00 0.00 C ATOM 395 C LEU A 27 -4.940 5.092 -19.424 1.00 0.00 C ATOM 396 O LEU A 27 -5.346 5.944 -20.214 1.00 0.00 O ATOM 397 CB LEU A 27 -2.612 4.208 -19.190 1.00 0.00 C ATOM 398 CG LEU A 27 -2.364 4.161 -20.698 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.027 5.547 -21.227 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.249 3.179 -21.024 1.00 0.00 C ATOM 0 H LEU A 27 -3.196 4.466 -16.811 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.215 6.257 -18.936 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.658 4.378 -18.690 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.969 3.229 -18.870 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.277 3.820 -21.187 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.854 5.494 -22.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.857 6.225 -21.026 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.129 5.917 -20.732 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.086 3.158 -22.102 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.332 3.491 -20.524 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.529 2.183 -20.680 1.00 0.00 H new ATOM 412 N GLU A 28 -5.619 3.985 -19.141 1.00 0.00 N ATOM 413 CA GLU A 28 -6.909 3.701 -19.760 1.00 0.00 C ATOM 414 C GLU A 28 -7.876 4.865 -19.560 1.00 0.00 C ATOM 415 O GLU A 28 -8.543 5.300 -20.498 1.00 0.00 O ATOM 416 CB GLU A 28 -7.508 2.420 -19.177 1.00 0.00 C ATOM 417 CG GLU A 28 -8.898 2.104 -19.704 1.00 0.00 C ATOM 418 CD GLU A 28 -9.990 2.826 -18.939 1.00 0.00 C ATOM 419 OE1 GLU A 28 -10.319 2.386 -17.817 1.00 0.00 O ATOM 420 OE2 GLU A 28 -10.517 3.830 -19.462 1.00 0.00 O ATOM 0 H GLU A 28 -5.298 3.271 -18.488 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.748 3.564 -20.829 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.845 1.584 -19.401 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.552 2.510 -18.092 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.954 2.379 -20.757 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.069 1.029 -19.646 1.00 0.00 H new ATOM 427 N SER A 29 -7.945 5.364 -18.330 1.00 0.00 N ATOM 428 CA SER A 29 -8.833 6.474 -18.004 1.00 0.00 C ATOM 429 C SER A 29 -8.566 7.668 -18.916 1.00 0.00 C ATOM 430 O SER A 29 -9.490 8.241 -19.495 1.00 0.00 O ATOM 431 CB SER A 29 -8.655 6.885 -16.542 1.00 0.00 C ATOM 432 OG SER A 29 -9.588 7.888 -16.177 1.00 0.00 O ATOM 0 H SER A 29 -7.397 5.017 -17.543 1.00 0.00 H new ATOM 0 HA SER A 29 -9.860 6.143 -18.158 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.782 6.015 -15.898 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.641 7.253 -16.385 1.00 0.00 H new ATOM 0 HG SER A 29 -10.446 7.471 -15.953 1.00 0.00 H new ATOM 438 N PHE A 30 -7.296 8.039 -19.039 1.00 0.00 N ATOM 439 CA PHE A 30 -6.906 9.165 -19.879 1.00 0.00 C ATOM 440 C PHE A 30 -7.315 8.929 -21.329 1.00 0.00 C ATOM 441 O PHE A 30 -7.809 9.834 -22.001 1.00 0.00 O ATOM 442 CB PHE A 30 -5.395 9.393 -19.793 1.00 0.00 C ATOM 443 CG PHE A 30 -4.992 10.826 -19.999 1.00 0.00 C ATOM 444 CD1 PHE A 30 -5.234 11.461 -21.206 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.372 11.537 -18.984 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.864 12.778 -21.398 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.000 12.855 -19.170 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.247 13.477 -20.378 1.00 0.00 C ATOM 0 H PHE A 30 -6.519 7.576 -18.567 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.422 10.054 -19.515 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.040 9.061 -18.817 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.899 8.773 -20.540 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.717 10.920 -22.006 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.177 11.056 -18.037 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.057 13.261 -22.345 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.517 13.398 -18.371 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.959 14.507 -20.525 1.00 0.00 H new ATOM 458 N SER A 31 -7.104 7.706 -21.806 1.00 0.00 N ATOM 459 CA SER A 31 -7.447 7.351 -23.178 1.00 0.00 C ATOM 460 C SER A 31 -8.929 7.592 -23.448 1.00 0.00 C ATOM 461 O SER A 31 -9.296 8.210 -24.447 1.00 0.00 O ATOM 462 CB SER A 31 -7.099 5.887 -23.450 1.00 0.00 C ATOM 463 OG SER A 31 -6.924 5.653 -24.837 1.00 0.00 O ATOM 0 H SER A 31 -6.697 6.945 -21.262 1.00 0.00 H new ATOM 0 HA SER A 31 -6.866 7.986 -23.847 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.187 5.621 -22.915 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.892 5.244 -23.067 1.00 0.00 H new ATOM 0 HG SER A 31 -6.701 4.710 -24.984 1.00 0.00 H new ATOM 469 N GLU A 32 -9.775 7.100 -22.549 1.00 0.00 N ATOM 470 CA GLU A 32 -11.218 7.261 -22.691 1.00 0.00 C ATOM 471 C GLU A 32 -11.628 8.712 -22.461 1.00 0.00 C ATOM 472 O GLU A 32 -12.576 9.206 -23.075 1.00 0.00 O ATOM 473 CB GLU A 32 -11.954 6.349 -21.706 1.00 0.00 C ATOM 474 CG GLU A 32 -13.467 6.450 -21.799 1.00 0.00 C ATOM 475 CD GLU A 32 -13.963 6.486 -23.232 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.726 5.504 -23.966 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.587 7.496 -23.619 1.00 0.00 O ATOM 0 H GLU A 32 -9.487 6.587 -21.716 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.491 6.981 -23.708 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.655 5.316 -21.887 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.643 6.598 -20.691 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.916 5.601 -21.284 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.800 7.349 -21.281 1.00 0.00 H new ATOM 484 N LEU A 33 -10.909 9.391 -21.574 1.00 0.00 N ATOM 485 CA LEU A 33 -11.198 10.787 -21.262 1.00 0.00 C ATOM 486 C LEU A 33 -11.050 11.663 -22.502 1.00 0.00 C ATOM 487 O LEU A 33 -11.886 12.529 -22.766 1.00 0.00 O ATOM 488 CB LEU A 33 -10.266 11.286 -20.157 1.00 0.00 C ATOM 489 CG LEU A 33 -10.787 12.452 -19.316 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.958 13.695 -20.175 1.00 0.00 C ATOM 491 CD2 LEU A 33 -12.101 12.081 -18.644 1.00 0.00 C ATOM 0 H LEU A 33 -10.122 8.998 -21.058 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.229 10.851 -20.915 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.047 10.452 -19.490 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.322 11.586 -20.613 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.054 12.670 -18.539 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.329 14.514 -19.560 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.997 13.973 -20.608 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.670 13.490 -20.974 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.456 12.923 -18.050 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.842 11.835 -19.405 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.947 11.219 -17.995 1.00 0.00 H new ATOM 503 N TYR A 34 -9.984 11.432 -23.260 1.00 0.00 N ATOM 504 CA TYR A 34 -9.727 12.201 -24.472 1.00 0.00 C ATOM 505 C TYR A 34 -10.892 12.083 -25.450 1.00 0.00 C ATOM 506 O TYR A 34 -11.071 12.930 -26.325 1.00 0.00 O ATOM 507 CB TYR A 34 -8.436 11.724 -25.139 1.00 0.00 C ATOM 508 CG TYR A 34 -8.237 12.273 -26.534 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.143 13.641 -26.756 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.142 11.424 -27.629 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.962 14.148 -28.028 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.959 11.921 -28.905 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.870 13.283 -29.099 1.00 0.00 C ATOM 514 OH TYR A 34 -7.689 13.783 -30.369 1.00 0.00 O ATOM 0 H TYR A 34 -9.284 10.719 -23.057 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.618 13.248 -24.191 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.588 12.014 -24.519 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.441 10.635 -25.183 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.213 14.320 -25.919 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.212 10.357 -27.480 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.893 15.215 -28.183 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.886 11.247 -29.745 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.643 13.042 -31.009 1.00 0.00 H new ATOM 524 N ASP A 35 -11.682 11.026 -25.293 1.00 0.00 N ATOM 525 CA ASP A 35 -12.831 10.795 -26.161 1.00 0.00 C ATOM 526 C ASP A 35 -14.078 11.473 -25.601 1.00 0.00 C ATOM 527 O ASP A 35 -14.660 12.349 -26.241 1.00 0.00 O ATOM 528 CB ASP A 35 -13.081 9.295 -26.325 1.00 0.00 C ATOM 529 CG ASP A 35 -12.781 8.809 -27.729 1.00 0.00 C ATOM 530 OD1 ASP A 35 -13.369 9.357 -28.684 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.960 7.879 -27.872 1.00 0.00 O ATOM 0 H ASP A 35 -11.548 10.316 -24.573 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.611 11.227 -27.137 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.463 8.747 -25.614 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.120 9.074 -26.081 1.00 0.00 H new ATOM 536 N ILE A 36 -14.483 11.061 -24.404 1.00 0.00 N ATOM 537 CA ILE A 36 -15.661 11.628 -23.760 1.00 0.00 C ATOM 538 C ILE A 36 -15.566 13.148 -23.681 1.00 0.00 C ATOM 539 O ILE A 36 -16.575 13.848 -23.768 1.00 0.00 O ATOM 540 CB ILE A 36 -15.852 11.063 -22.340 1.00 0.00 C ATOM 541 CG1 ILE A 36 -17.165 11.569 -21.739 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.676 11.445 -21.454 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.582 10.829 -20.487 1.00 0.00 C ATOM 0 H ILE A 36 -14.013 10.337 -23.861 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.520 11.351 -24.372 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.897 9.976 -22.401 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.064 12.629 -21.508 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.955 11.479 -22.485 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.827 11.038 -20.454 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.756 11.040 -21.876 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.602 12.531 -21.396 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.521 11.241 -20.116 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.715 9.772 -20.717 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.811 10.940 -19.725 1.00 0.00 H new ATOM 555 N ILE A 37 -14.347 13.651 -23.518 1.00 0.00 N ATOM 556 CA ILE A 37 -14.120 15.089 -23.431 1.00 0.00 C ATOM 557 C ILE A 37 -14.681 15.809 -24.652 1.00 0.00 C ATOM 558 O ILE A 37 -15.080 16.971 -24.571 1.00 0.00 O ATOM 559 CB ILE A 37 -12.620 15.415 -23.300 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.427 16.882 -22.912 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.896 15.105 -24.602 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.169 17.088 -21.436 1.00 0.00 C ATOM 0 H ILE A 37 -13.502 13.085 -23.444 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.638 15.437 -22.538 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.194 14.792 -22.513 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.592 17.292 -23.479 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.315 17.445 -23.199 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.837 15.340 -24.494 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.010 14.047 -24.839 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.321 15.705 -25.407 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.042 18.152 -21.234 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.014 16.708 -20.862 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.264 16.553 -21.147 1.00 0.00 H new ATOM 574 N ASP A 38 -14.710 15.111 -25.782 1.00 0.00 N ATOM 575 CA ASP A 38 -15.226 15.683 -27.020 1.00 0.00 C ATOM 576 C ASP A 38 -16.526 15.001 -27.434 1.00 0.00 C ATOM 577 O ASP A 38 -16.839 14.908 -28.620 1.00 0.00 O ATOM 578 CB ASP A 38 -14.189 15.552 -28.137 1.00 0.00 C ATOM 579 CG ASP A 38 -14.336 16.630 -29.193 1.00 0.00 C ATOM 580 OD1 ASP A 38 -15.089 17.598 -28.952 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.698 16.507 -30.259 1.00 0.00 O ATOM 0 H ASP A 38 -14.382 14.149 -25.866 1.00 0.00 H new ATOM 0 HA ASP A 38 -15.431 16.739 -26.846 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.188 15.602 -27.708 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.286 14.573 -28.606 1.00 0.00 H new ATOM 586 N GLU A 39 -17.278 14.524 -26.447 1.00 0.00 N ATOM 587 CA GLU A 39 -18.544 13.848 -26.709 1.00 0.00 C ATOM 588 C GLU A 39 -19.720 14.685 -26.214 1.00 0.00 C ATOM 589 O GLU A 39 -20.879 14.329 -26.422 1.00 0.00 O ATOM 590 CB GLU A 39 -18.562 12.473 -26.038 1.00 0.00 C ATOM 591 CG GLU A 39 -17.889 11.386 -26.858 1.00 0.00 C ATOM 592 CD GLU A 39 -18.063 10.007 -26.253 1.00 0.00 C ATOM 593 OE1 GLU A 39 -19.109 9.766 -25.614 1.00 0.00 O ATOM 594 OE2 GLU A 39 -17.154 9.167 -26.419 1.00 0.00 O ATOM 0 H GLU A 39 -17.033 14.593 -25.459 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.642 13.719 -27.787 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.067 12.544 -25.069 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.596 12.185 -25.847 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.300 11.390 -27.867 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.826 11.608 -26.946 1.00 0.00 H new ATOM 601 N ASN A 40 -19.411 15.798 -25.556 1.00 0.00 N ATOM 602 CA ASN A 40 -20.442 16.685 -25.029 1.00 0.00 C ATOM 603 C ASN A 40 -21.445 15.910 -24.180 1.00 0.00 C ATOM 604 O ASN A 40 -22.618 16.275 -24.098 1.00 0.00 O ATOM 605 CB ASN A 40 -21.167 17.394 -26.175 1.00 0.00 C ATOM 606 CG ASN A 40 -20.228 17.789 -27.298 1.00 0.00 C ATOM 607 OD1 ASN A 40 -19.887 16.972 -28.153 1.00 0.00 O ATOM 608 ND2 ASN A 40 -19.805 19.048 -27.300 1.00 0.00 N ATOM 0 H ASN A 40 -18.456 16.107 -25.375 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.958 17.430 -24.397 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.945 16.740 -26.569 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.664 18.285 -25.791 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.171 19.372 -28.031 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -20.114 19.691 -26.571 1.00 0.00 H new ATOM 615 N ASP A 41 -20.975 14.839 -23.549 1.00 0.00 N ATOM 616 CA ASP A 41 -21.829 14.013 -22.705 1.00 0.00 C ATOM 617 C ASP A 41 -21.721 14.437 -21.243 1.00 0.00 C ATOM 618 O ASP A 41 -20.829 13.992 -20.520 1.00 0.00 O ATOM 619 CB ASP A 41 -21.453 12.538 -22.850 1.00 0.00 C ATOM 620 CG ASP A 41 -21.972 11.932 -24.139 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.475 12.693 -24.991 1.00 0.00 O ATOM 622 OD2 ASP A 41 -21.877 10.696 -24.294 1.00 0.00 O ATOM 0 H ASP A 41 -20.007 14.523 -23.607 1.00 0.00 H new ATOM 0 HA ASP A 41 -22.860 14.150 -23.030 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -20.368 12.438 -22.816 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -21.852 11.980 -22.003 1.00 0.00 H new ATOM 627 N THR A 42 -22.635 15.302 -20.814 1.00 0.00 N ATOM 628 CA THR A 42 -22.642 15.788 -19.440 1.00 0.00 C ATOM 629 C THR A 42 -23.387 14.827 -18.520 1.00 0.00 C ATOM 630 O THR A 42 -22.890 14.462 -17.455 1.00 0.00 O ATOM 631 CB THR A 42 -23.290 17.182 -19.340 1.00 0.00 C ATOM 632 OG1 THR A 42 -24.696 17.088 -19.593 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.655 18.145 -20.331 1.00 0.00 C ATOM 0 H THR A 42 -23.380 15.680 -21.399 1.00 0.00 H new ATOM 0 HA THR A 42 -21.601 15.856 -19.124 1.00 0.00 H new ATOM 0 HB THR A 42 -23.128 17.563 -18.332 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.101 17.978 -19.526 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.128 19.123 -20.242 1.00 0.00 H new ATOM 0 HG22 THR A 42 -21.590 18.237 -20.118 1.00 0.00 H new ATOM 0 HG23 THR A 42 -22.791 17.767 -21.344 1.00 0.00 H new ATOM 641 N ASP A 43 -24.580 14.420 -18.939 1.00 0.00 N ATOM 642 CA ASP A 43 -25.394 13.499 -18.153 1.00 0.00 C ATOM 643 C ASP A 43 -24.633 12.208 -17.871 1.00 0.00 C ATOM 644 O ASP A 43 -24.873 11.541 -16.865 1.00 0.00 O ATOM 645 CB ASP A 43 -26.700 13.187 -18.885 1.00 0.00 C ATOM 646 CG ASP A 43 -27.709 14.313 -18.775 1.00 0.00 C ATOM 647 OD1 ASP A 43 -28.287 14.486 -17.682 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.922 15.020 -19.782 1.00 0.00 O ATOM 0 H ASP A 43 -25.005 14.713 -19.819 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.626 13.978 -17.202 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.487 12.996 -19.937 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -27.133 12.274 -18.476 1.00 0.00 H new ATOM 653 N VAL A 44 -23.713 11.861 -18.766 1.00 0.00 N ATOM 654 CA VAL A 44 -22.917 10.649 -18.613 1.00 0.00 C ATOM 655 C VAL A 44 -21.663 10.916 -17.788 1.00 0.00 C ATOM 656 O VAL A 44 -21.061 9.994 -17.239 1.00 0.00 O ATOM 657 CB VAL A 44 -22.505 10.072 -19.980 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.842 8.713 -19.809 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.712 9.973 -20.901 1.00 0.00 C ATOM 0 H VAL A 44 -23.501 12.402 -19.604 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.543 9.923 -18.094 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.781 10.747 -20.437 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -21.558 8.321 -20.786 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.953 8.818 -19.187 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -22.540 8.025 -19.331 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -23.403 9.563 -21.863 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -24.460 9.320 -20.452 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -24.139 10.965 -21.049 1.00 0.00 H new ATOM 669 N MET A 45 -21.275 12.184 -17.706 1.00 0.00 N ATOM 670 CA MET A 45 -20.092 12.573 -16.946 1.00 0.00 C ATOM 671 C MET A 45 -20.160 12.034 -15.521 1.00 0.00 C ATOM 672 O MET A 45 -19.227 11.386 -15.048 1.00 0.00 O ATOM 673 CB MET A 45 -19.954 14.097 -16.921 1.00 0.00 C ATOM 674 CG MET A 45 -18.536 14.583 -17.175 1.00 0.00 C ATOM 675 SD MET A 45 -17.768 15.283 -15.702 1.00 0.00 S ATOM 676 CE MET A 45 -16.291 14.277 -15.579 1.00 0.00 C ATOM 0 H MET A 45 -21.762 12.959 -18.156 1.00 0.00 H new ATOM 0 HA MET A 45 -19.218 12.144 -17.437 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.617 14.526 -17.673 1.00 0.00 H new ATOM 0 HB3 MET A 45 -20.289 14.468 -15.952 1.00 0.00 H new ATOM 0 HG2 MET A 45 -17.930 13.752 -17.536 1.00 0.00 H new ATOM 0 HG3 MET A 45 -18.549 15.334 -17.965 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.745 14.542 -14.674 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.570 13.224 -15.539 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.658 14.452 -16.449 1.00 0.00 H new ATOM 686 N MET A 46 -21.269 12.306 -14.842 1.00 0.00 N ATOM 687 CA MET A 46 -21.458 11.847 -13.471 1.00 0.00 C ATOM 688 C MET A 46 -21.206 10.346 -13.361 1.00 0.00 C ATOM 689 O MET A 46 -20.520 9.888 -12.447 1.00 0.00 O ATOM 690 CB MET A 46 -22.873 12.174 -12.991 1.00 0.00 C ATOM 691 CG MET A 46 -23.962 11.697 -13.938 1.00 0.00 C ATOM 692 SD MET A 46 -25.600 12.285 -13.466 1.00 0.00 S ATOM 693 CE MET A 46 -25.834 13.615 -14.643 1.00 0.00 C ATOM 0 H MET A 46 -22.051 12.842 -15.219 1.00 0.00 H new ATOM 0 HA MET A 46 -20.738 12.366 -12.838 1.00 0.00 H new ATOM 0 HB2 MET A 46 -23.030 11.720 -12.012 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.963 13.252 -12.860 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.735 12.038 -14.948 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.965 10.607 -13.963 1.00 0.00 H new ATOM 0 HE1 MET A 46 -26.250 14.484 -14.132 1.00 0.00 H new ATOM 0 HE2 MET A 46 -24.875 13.880 -15.088 1.00 0.00 H new ATOM 0 HE3 MET A 46 -26.520 13.292 -15.426 1.00 0.00 H new ATOM 703 N ASP A 47 -21.765 9.587 -14.296 1.00 0.00 N ATOM 704 CA ASP A 47 -21.599 8.138 -14.305 1.00 0.00 C ATOM 705 C ASP A 47 -20.141 7.759 -14.542 1.00 0.00 C ATOM 706 O ASP A 47 -19.612 6.852 -13.899 1.00 0.00 O ATOM 707 CB ASP A 47 -22.484 7.508 -15.381 1.00 0.00 C ATOM 708 CG ASP A 47 -22.857 6.074 -15.059 1.00 0.00 C ATOM 709 OD1 ASP A 47 -22.314 5.527 -14.077 1.00 0.00 O ATOM 710 OD2 ASP A 47 -23.691 5.499 -15.790 1.00 0.00 O ATOM 0 H ASP A 47 -22.337 9.951 -15.058 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.900 7.757 -13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.392 8.100 -15.492 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.964 7.539 -16.338 1.00 0.00 H new ATOM 715 N PHE A 48 -19.496 8.458 -15.470 1.00 0.00 N ATOM 716 CA PHE A 48 -18.099 8.194 -15.794 1.00 0.00 C ATOM 717 C PHE A 48 -17.207 8.417 -14.576 1.00 0.00 C ATOM 718 O PHE A 48 -16.218 7.710 -14.380 1.00 0.00 O ATOM 719 CB PHE A 48 -17.642 9.090 -16.946 1.00 0.00 C ATOM 720 CG PHE A 48 -16.152 9.109 -17.136 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.367 10.037 -16.471 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.537 8.199 -17.980 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.996 10.057 -16.645 1.00 0.00 C ATOM 724 CE2 PHE A 48 -14.166 8.214 -18.158 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.395 9.143 -17.489 1.00 0.00 C ATOM 0 H PHE A 48 -19.919 9.212 -16.011 1.00 0.00 H new ATOM 0 HA PHE A 48 -18.014 7.151 -16.099 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -18.114 8.751 -17.868 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.990 10.107 -16.765 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.832 10.753 -15.809 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.135 7.469 -18.505 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.395 10.786 -16.122 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.699 7.500 -18.820 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.324 9.155 -17.625 1.00 0.00 H new ATOM 735 N ILE A 49 -17.564 9.404 -13.762 1.00 0.00 N ATOM 736 CA ILE A 49 -16.796 9.720 -12.564 1.00 0.00 C ATOM 737 C ILE A 49 -17.020 8.675 -11.476 1.00 0.00 C ATOM 738 O ILE A 49 -16.068 8.165 -10.885 1.00 0.00 O ATOM 739 CB ILE A 49 -17.165 11.109 -12.009 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.914 12.187 -13.065 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.372 11.402 -10.745 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.682 13.467 -12.817 1.00 0.00 C ATOM 0 H ILE A 49 -18.380 9.998 -13.910 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.745 9.720 -12.854 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.226 11.114 -11.758 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.848 12.413 -13.096 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -17.185 11.794 -14.045 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.644 12.387 -10.365 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.597 10.647 -9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.306 11.382 -10.971 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.455 14.186 -13.605 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.751 13.255 -12.816 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.393 13.883 -11.852 1.00 0.00 H new ATOM 754 N SER A 50 -18.285 8.360 -11.217 1.00 0.00 N ATOM 755 CA SER A 50 -18.635 7.376 -10.199 1.00 0.00 C ATOM 756 C SER A 50 -18.219 5.974 -10.632 1.00 0.00 C ATOM 757 O SER A 50 -18.077 5.073 -9.805 1.00 0.00 O ATOM 758 CB SER A 50 -20.139 7.411 -9.921 1.00 0.00 C ATOM 759 OG SER A 50 -20.444 6.785 -8.687 1.00 0.00 O ATOM 0 H SER A 50 -19.085 8.772 -11.698 1.00 0.00 H new ATOM 0 HA SER A 50 -18.098 7.629 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.485 8.445 -9.903 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.673 6.910 -10.728 1.00 0.00 H new ATOM 0 HG SER A 50 -21.411 6.822 -8.532 1.00 0.00 H new ATOM 765 N ARG A 51 -18.025 5.797 -11.935 1.00 0.00 N ATOM 766 CA ARG A 51 -17.626 4.505 -12.480 1.00 0.00 C ATOM 767 C ARG A 51 -16.111 4.333 -12.418 1.00 0.00 C ATOM 768 O ARG A 51 -15.612 3.288 -11.999 1.00 0.00 O ATOM 769 CB ARG A 51 -18.107 4.367 -13.926 1.00 0.00 C ATOM 770 CG ARG A 51 -19.566 3.959 -14.047 1.00 0.00 C ATOM 771 CD ARG A 51 -19.714 2.450 -14.158 1.00 0.00 C ATOM 772 NE ARG A 51 -21.110 2.029 -14.070 1.00 0.00 N ATOM 773 CZ ARG A 51 -21.488 0.766 -13.902 1.00 0.00 C ATOM 774 NH1 ARG A 51 -20.579 -0.194 -13.802 1.00 0.00 N ATOM 775 NH2 ARG A 51 -22.777 0.462 -13.831 1.00 0.00 N ATOM 0 H ARG A 51 -18.138 6.532 -12.633 1.00 0.00 H new ATOM 0 HA ARG A 51 -18.088 3.725 -11.875 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -17.960 5.317 -14.441 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.489 3.629 -14.437 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -20.118 4.317 -13.178 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -20.007 4.435 -14.923 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -19.293 2.113 -15.105 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -19.140 1.970 -13.365 1.00 0.00 H new ATOM 0 HE ARG A 51 -21.834 2.744 -14.141 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -19.587 0.036 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -20.872 -1.162 -13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -23.479 1.198 -13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -23.066 -0.508 -13.702 1.00 0.00 H new ATOM 789 N PHE A 52 -15.386 5.364 -12.838 1.00 0.00 N ATOM 790 CA PHE A 52 -13.928 5.326 -12.831 1.00 0.00 C ATOM 791 C PHE A 52 -13.383 5.616 -11.436 1.00 0.00 C ATOM 792 O PHE A 52 -12.676 4.795 -10.851 1.00 0.00 O ATOM 793 CB PHE A 52 -13.366 6.339 -13.831 1.00 0.00 C ATOM 794 CG PHE A 52 -13.192 5.781 -15.215 1.00 0.00 C ATOM 795 CD1 PHE A 52 -14.280 5.638 -16.060 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.940 5.401 -15.670 1.00 0.00 C ATOM 797 CE1 PHE A 52 -14.123 5.125 -17.334 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.776 4.888 -16.943 1.00 0.00 C ATOM 799 CZ PHE A 52 -12.869 4.750 -17.776 1.00 0.00 C ATOM 0 H PHE A 52 -15.784 6.236 -13.187 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.614 4.324 -13.123 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.032 7.201 -13.876 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.403 6.699 -13.469 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.262 5.931 -15.720 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.082 5.507 -15.023 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.980 5.018 -17.983 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.795 4.595 -17.286 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.744 4.350 -18.771 1.00 0.00 H new ATOM 809 N ALA A 53 -13.716 6.789 -10.908 1.00 0.00 N ATOM 810 CA ALA A 53 -13.262 7.188 -9.582 1.00 0.00 C ATOM 811 C ALA A 53 -13.785 6.233 -8.513 1.00 0.00 C ATOM 812 O ALA A 53 -14.908 5.739 -8.605 1.00 0.00 O ATOM 813 CB ALA A 53 -13.701 8.613 -9.280 1.00 0.00 C ATOM 0 H ALA A 53 -14.299 7.480 -11.379 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.173 7.145 -9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.355 8.897 -8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.274 9.290 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.789 8.674 -9.317 1.00 0.00 H new ATOM 819 N ARG A 54 -12.962 5.978 -7.501 1.00 0.00 N ATOM 820 CA ARG A 54 -13.341 5.081 -6.416 1.00 0.00 C ATOM 821 C ARG A 54 -13.744 5.871 -5.174 1.00 0.00 C ATOM 822 O ARG A 54 -12.921 6.130 -4.295 1.00 0.00 O ATOM 823 CB ARG A 54 -12.186 4.136 -6.080 1.00 0.00 C ATOM 824 CG ARG A 54 -11.613 3.420 -7.292 1.00 0.00 C ATOM 825 CD ARG A 54 -12.558 2.342 -7.801 1.00 0.00 C ATOM 826 NE ARG A 54 -12.809 1.315 -6.794 1.00 0.00 N ATOM 827 CZ ARG A 54 -13.733 0.369 -6.923 1.00 0.00 C ATOM 828 NH1 ARG A 54 -14.489 0.321 -8.011 1.00 0.00 N ATOM 829 NH2 ARG A 54 -13.902 -0.531 -5.963 1.00 0.00 N ATOM 0 H ARG A 54 -12.029 6.380 -7.410 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.198 4.493 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.392 4.704 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.532 3.394 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.422 4.142 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.654 2.972 -7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.503 2.798 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.134 1.880 -8.693 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.244 1.324 -5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.362 1.011 -8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.198 -0.406 -8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.322 -0.497 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.612 -1.257 -6.063 1.00 0.00 H new ATOM 843 N THR A 55 -15.016 6.251 -5.107 1.00 0.00 N ATOM 844 CA THR A 55 -15.528 7.012 -3.975 1.00 0.00 C ATOM 845 C THR A 55 -15.720 6.119 -2.754 1.00 0.00 C ATOM 846 O THR A 55 -16.847 5.864 -2.330 1.00 0.00 O ATOM 847 CB THR A 55 -16.868 7.692 -4.314 1.00 0.00 C ATOM 848 OG1 THR A 55 -17.431 8.281 -3.137 1.00 0.00 O ATOM 849 CG2 THR A 55 -17.849 6.690 -4.904 1.00 0.00 C ATOM 0 H THR A 55 -15.711 6.044 -5.824 1.00 0.00 H new ATOM 0 HA THR A 55 -14.787 7.779 -3.749 1.00 0.00 H new ATOM 0 HB THR A 55 -16.678 8.470 -5.053 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.621 7.580 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.788 7.193 -5.135 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.430 6.265 -5.816 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.032 5.893 -4.183 1.00 0.00 H new ATOM 857 N ASP A 56 -14.612 5.647 -2.193 1.00 0.00 N ATOM 858 CA ASP A 56 -14.658 4.784 -1.018 1.00 0.00 C ATOM 859 C ASP A 56 -13.881 5.400 0.141 1.00 0.00 C ATOM 860 O ASP A 56 -13.390 6.525 0.042 1.00 0.00 O ATOM 861 CB ASP A 56 -14.091 3.403 -1.352 1.00 0.00 C ATOM 862 CG ASP A 56 -14.973 2.632 -2.313 1.00 0.00 C ATOM 863 OD1 ASP A 56 -16.200 2.859 -2.305 1.00 0.00 O ATOM 864 OD2 ASP A 56 -14.435 1.800 -3.075 1.00 0.00 O ATOM 0 H ASP A 56 -13.671 5.847 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.700 4.678 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.098 3.517 -1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.973 2.830 -0.432 1.00 0.00 H new ATOM 869 N GLU A 57 -13.774 4.657 1.237 1.00 0.00 N ATOM 870 CA GLU A 57 -13.059 5.133 2.415 1.00 0.00 C ATOM 871 C GLU A 57 -11.890 4.210 2.751 1.00 0.00 C ATOM 872 O GLU A 57 -11.554 4.018 3.920 1.00 0.00 O ATOM 873 CB GLU A 57 -14.007 5.228 3.612 1.00 0.00 C ATOM 874 CG GLU A 57 -15.253 6.053 3.337 1.00 0.00 C ATOM 875 CD GLU A 57 -15.290 7.340 4.138 1.00 0.00 C ATOM 876 OE1 GLU A 57 -14.208 7.907 4.399 1.00 0.00 O ATOM 877 OE2 GLU A 57 -16.399 7.780 4.506 1.00 0.00 O ATOM 0 H GLU A 57 -14.173 3.723 1.334 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.666 6.125 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.305 4.223 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.471 5.664 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.300 6.290 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.136 5.459 3.571 1.00 0.00 H new ATOM 884 N ILE A 58 -11.276 3.643 1.718 1.00 0.00 N ATOM 885 CA ILE A 58 -10.146 2.742 1.903 1.00 0.00 C ATOM 886 C ILE A 58 -8.847 3.384 1.427 1.00 0.00 C ATOM 887 O ILE A 58 -8.760 3.869 0.299 1.00 0.00 O ATOM 888 CB ILE A 58 -10.355 1.414 1.151 1.00 0.00 C ATOM 889 CG1 ILE A 58 -9.196 0.456 1.431 1.00 0.00 C ATOM 890 CG2 ILE A 58 -10.490 1.668 -0.343 1.00 0.00 C ATOM 891 CD1 ILE A 58 -9.445 -0.953 0.940 1.00 0.00 C ATOM 0 H ILE A 58 -11.542 3.792 0.745 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.077 2.538 2.972 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.276 0.953 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.293 0.843 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.008 0.430 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.637 0.720 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -11.346 2.318 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.584 2.148 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.582 -1.577 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.329 -1.359 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.604 -0.940 -0.138 1.00 0.00 H new ATOM 903 N MET A 59 -7.839 3.382 2.293 1.00 0.00 N ATOM 904 CA MET A 59 -6.544 3.961 1.959 1.00 0.00 C ATOM 905 C MET A 59 -5.465 3.470 2.919 1.00 0.00 C ATOM 906 O MET A 59 -4.911 4.232 3.712 1.00 0.00 O ATOM 907 CB MET A 59 -6.619 5.489 1.998 1.00 0.00 C ATOM 908 CG MET A 59 -6.980 6.114 0.660 1.00 0.00 C ATOM 909 SD MET A 59 -6.523 7.855 0.561 1.00 0.00 S ATOM 910 CE MET A 59 -7.998 8.630 1.219 1.00 0.00 C ATOM 0 H MET A 59 -7.895 2.986 3.231 1.00 0.00 H new ATOM 0 HA MET A 59 -6.281 3.642 0.950 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.358 5.790 2.741 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.657 5.884 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.481 5.565 -0.139 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.053 6.014 0.494 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.870 9.712 1.223 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.855 8.368 0.598 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.169 8.282 2.238 1.00 0.00 H new ATOM 920 N PRO A 60 -5.157 2.166 2.847 1.00 0.00 N ATOM 921 CA PRO A 60 -4.142 1.544 3.702 1.00 0.00 C ATOM 922 C PRO A 60 -2.730 1.997 3.349 1.00 0.00 C ATOM 923 O PRO A 60 -1.953 2.377 4.224 1.00 0.00 O ATOM 924 CB PRO A 60 -4.310 0.048 3.422 1.00 0.00 C ATOM 925 CG PRO A 60 -4.901 -0.017 2.056 1.00 0.00 C ATOM 926 CD PRO A 60 -5.777 1.199 1.926 1.00 0.00 C ATOM 0 HA PRO A 60 -4.272 1.812 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.353 -0.473 3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.962 -0.422 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.122 -0.020 1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.480 -0.931 1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.795 1.574 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.808 0.983 2.205 1.00 0.00 H new ATOM 934 N GLU A 61 -2.404 1.954 2.061 1.00 0.00 N ATOM 935 CA GLU A 61 -1.084 2.360 1.593 1.00 0.00 C ATOM 936 C GLU A 61 -1.196 3.297 0.394 1.00 0.00 C ATOM 937 O GLU A 61 -0.334 3.304 -0.485 1.00 0.00 O ATOM 938 CB GLU A 61 -0.251 1.132 1.219 1.00 0.00 C ATOM 939 CG GLU A 61 0.197 0.312 2.417 1.00 0.00 C ATOM 940 CD GLU A 61 1.398 0.914 3.120 1.00 0.00 C ATOM 941 OE1 GLU A 61 2.343 1.338 2.422 1.00 0.00 O ATOM 942 OE2 GLU A 61 1.392 0.961 4.368 1.00 0.00 O ATOM 0 H GLU A 61 -3.036 1.642 1.323 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.588 2.894 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.835 0.497 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.628 1.456 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.628 0.228 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.441 -0.699 2.090 1.00 0.00 H new ATOM 949 N ASP A 62 -2.265 4.085 0.364 1.00 0.00 N ATOM 950 CA ASP A 62 -2.492 5.026 -0.727 1.00 0.00 C ATOM 951 C ASP A 62 -1.250 5.877 -0.976 1.00 0.00 C ATOM 952 O ASP A 62 -0.670 6.436 -0.045 1.00 0.00 O ATOM 953 CB ASP A 62 -3.687 5.927 -0.412 1.00 0.00 C ATOM 954 CG ASP A 62 -3.335 7.039 0.557 1.00 0.00 C ATOM 955 OD1 ASP A 62 -3.430 6.812 1.781 1.00 0.00 O ATOM 956 OD2 ASP A 62 -2.964 8.136 0.090 1.00 0.00 O ATOM 0 H ASP A 62 -2.988 4.091 1.083 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.707 4.454 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.064 6.362 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.492 5.324 0.008 1.00 0.00 H new ATOM 961 N LYS A 63 -0.847 5.969 -2.239 1.00 0.00 N ATOM 962 CA LYS A 63 0.326 6.751 -2.613 1.00 0.00 C ATOM 963 C LYS A 63 0.139 7.390 -3.985 1.00 0.00 C ATOM 964 O LYS A 63 -0.060 6.695 -4.983 1.00 0.00 O ATOM 965 CB LYS A 63 1.575 5.867 -2.615 1.00 0.00 C ATOM 966 CG LYS A 63 2.842 6.606 -3.008 1.00 0.00 C ATOM 967 CD LYS A 63 4.085 5.883 -2.516 1.00 0.00 C ATOM 968 CE LYS A 63 5.354 6.533 -3.044 1.00 0.00 C ATOM 969 NZ LYS A 63 6.577 5.832 -2.564 1.00 0.00 N ATOM 0 H LYS A 63 -1.316 5.512 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 63 0.452 7.545 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.708 5.438 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.421 5.036 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.884 6.707 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.819 7.614 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.101 5.885 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.050 4.841 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.337 6.529 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.386 7.576 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.421 6.305 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.606 5.857 -1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.559 4.843 -2.886 1.00 0.00 H new ATOM 983 N THR A 64 0.206 8.717 -4.030 1.00 0.00 N ATOM 984 CA THR A 64 0.045 9.448 -5.280 1.00 0.00 C ATOM 985 C THR A 64 1.230 9.215 -6.211 1.00 0.00 C ATOM 986 O THR A 64 2.384 9.248 -5.782 1.00 0.00 O ATOM 987 CB THR A 64 -0.108 10.960 -5.031 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.950 11.187 -3.895 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.696 11.654 -6.250 1.00 0.00 C ATOM 0 H THR A 64 0.371 9.307 -3.215 1.00 0.00 H new ATOM 0 HA THR A 64 -0.863 9.071 -5.751 1.00 0.00 H new ATOM 0 HB THR A 64 0.881 11.375 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.041 12.151 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.794 12.721 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.038 11.505 -7.106 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.678 11.234 -6.469 1.00 0.00 H new ATOM 997 N VAL A 65 0.938 8.981 -7.486 1.00 0.00 N ATOM 998 CA VAL A 65 1.980 8.744 -8.478 1.00 0.00 C ATOM 999 C VAL A 65 2.025 9.868 -9.507 1.00 0.00 C ATOM 1000 O VAL A 65 3.034 10.065 -10.183 1.00 0.00 O ATOM 1001 CB VAL A 65 1.768 7.404 -9.207 1.00 0.00 C ATOM 1002 CG1 VAL A 65 2.135 6.239 -8.300 1.00 0.00 C ATOM 1003 CG2 VAL A 65 0.330 7.283 -9.689 1.00 0.00 C ATOM 0 H VAL A 65 -0.012 8.950 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 65 2.927 8.710 -7.939 1.00 0.00 H new ATOM 0 HB VAL A 65 2.423 7.375 -10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.979 5.301 -8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.182 6.321 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.507 6.260 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.197 6.330 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.345 7.332 -8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.107 8.099 -10.376 1.00 0.00 H new ATOM 1013 N GLY A 66 0.924 10.605 -9.619 1.00 0.00 N ATOM 1014 CA GLY A 66 0.859 11.702 -10.567 1.00 0.00 C ATOM 1015 C GLY A 66 -0.509 12.355 -10.605 1.00 0.00 C ATOM 1016 O GLY A 66 -1.507 11.744 -10.221 1.00 0.00 O ATOM 0 H GLY A 66 0.076 10.462 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.608 12.449 -10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.110 11.334 -11.562 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.556 13.600 -11.067 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.811 14.337 -11.151 1.00 0.00 C ATOM 1022 C PHE A 67 -1.951 15.019 -12.509 1.00 0.00 C ATOM 1023 O PHE A 67 -0.971 15.491 -13.084 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.890 15.380 -10.034 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.891 16.492 -10.180 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -1.207 17.636 -10.894 1.00 0.00 C ATOM 1027 CD2 PHE A 67 0.365 16.393 -9.603 1.00 0.00 C ATOM 1028 CE1 PHE A 67 -0.289 18.660 -11.031 1.00 0.00 C ATOM 1029 CE2 PHE A 67 1.287 17.414 -9.736 1.00 0.00 C ATOM 1030 CZ PHE A 67 0.959 18.550 -10.450 1.00 0.00 C ATOM 0 H PHE A 67 0.261 14.120 -11.389 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.629 13.627 -11.034 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.894 15.804 -10.015 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.734 14.886 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.182 17.729 -11.349 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.627 15.508 -9.043 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.548 19.546 -11.592 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.263 17.324 -9.282 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.677 19.350 -10.554 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.179 15.064 -13.017 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.450 15.688 -14.307 1.00 0.00 C ATOM 1042 C VAL A 68 -4.437 16.841 -14.164 1.00 0.00 C ATOM 1043 O VAL A 68 -5.425 16.739 -13.437 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.010 14.668 -15.317 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.314 15.344 -16.645 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.036 13.516 -15.506 1.00 0.00 C ATOM 0 H VAL A 68 -4.001 14.676 -12.555 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.500 16.072 -14.679 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.942 14.264 -14.921 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.709 14.608 -17.346 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.052 16.132 -16.492 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.400 15.777 -17.050 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.448 12.805 -16.223 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.087 13.900 -15.880 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.874 13.016 -14.551 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.164 17.937 -14.864 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.029 19.110 -14.817 1.00 0.00 C ATOM 1058 C VAL A 69 -5.685 19.363 -16.169 1.00 0.00 C ATOM 1059 O VAL A 69 -5.003 19.518 -17.183 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.247 20.367 -14.394 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.165 21.580 -14.356 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.580 20.151 -13.044 1.00 0.00 C ATOM 0 H VAL A 69 -3.350 18.037 -15.471 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.801 18.905 -14.075 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.468 20.554 -15.133 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.595 22.459 -14.055 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.591 21.745 -15.346 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.968 21.406 -13.640 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.032 21.050 -12.761 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.340 19.938 -12.292 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.889 19.310 -13.110 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.014 19.406 -16.178 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.763 19.643 -17.406 1.00 0.00 C ATOM 1074 C VAL A 70 -8.875 20.662 -17.183 1.00 0.00 C ATOM 1075 O VAL A 70 -9.863 20.379 -16.508 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.378 18.339 -17.949 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.202 18.616 -19.196 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.289 17.316 -18.236 1.00 0.00 C ATOM 0 H VAL A 70 -7.594 19.280 -15.348 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.056 20.035 -18.137 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.041 17.926 -17.189 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.628 17.683 -19.565 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.006 19.312 -18.954 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.564 19.052 -19.964 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.741 16.401 -18.619 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.599 17.718 -18.978 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.746 17.095 -17.317 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.706 21.849 -17.757 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.696 22.911 -17.621 1.00 0.00 C ATOM 1090 C ASN A 71 -10.199 23.364 -18.988 1.00 0.00 C ATOM 1091 O ASN A 71 -9.587 24.212 -19.637 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.098 24.100 -16.866 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.878 23.799 -15.396 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -9.476 22.877 -14.843 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -8.015 24.580 -14.755 1.00 0.00 N ATOM 0 H ASN A 71 -7.893 22.099 -18.320 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.540 22.517 -17.055 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.148 24.377 -17.324 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.761 24.959 -16.963 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.826 24.426 -13.765 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.541 25.333 -15.253 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.319 22.792 -19.419 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.906 23.139 -20.708 1.00 0.00 C ATOM 1104 C ALA A 72 -12.442 24.567 -20.701 1.00 0.00 C ATOM 1105 O ALA A 72 -12.567 25.197 -21.751 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.015 22.159 -21.063 1.00 0.00 C ATOM 0 H ALA A 72 -11.838 22.087 -18.895 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.124 23.076 -21.465 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.445 22.430 -22.028 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.605 21.150 -21.118 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.790 22.194 -20.298 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.756 25.070 -19.512 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.277 26.424 -19.369 1.00 0.00 C ATOM 1114 C ASP A 73 -12.209 27.457 -19.715 1.00 0.00 C ATOM 1115 O ASP A 73 -12.479 28.436 -20.411 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.782 26.651 -17.943 1.00 0.00 C ATOM 1117 CG ASP A 73 -12.679 26.518 -16.911 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -12.017 25.459 -16.883 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -12.478 27.473 -16.132 1.00 0.00 O ATOM 0 H ASP A 73 -12.659 24.560 -18.634 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.109 26.542 -20.064 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.225 27.644 -17.871 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.572 25.933 -17.721 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.996 27.233 -19.223 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.886 28.144 -19.479 1.00 0.00 C ATOM 1126 C LYS A 74 -9.013 27.630 -20.620 1.00 0.00 C ATOM 1127 O LYS A 74 -8.023 28.262 -20.991 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.040 28.318 -18.215 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.864 28.551 -16.960 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.041 29.214 -15.868 1.00 0.00 C ATOM 1131 CE LYS A 74 -9.036 30.728 -16.016 1.00 0.00 C ATOM 1132 NZ LYS A 74 -7.957 31.191 -16.932 1.00 0.00 N ATOM 0 H LYS A 74 -10.756 26.428 -18.644 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.300 29.110 -19.768 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.423 27.430 -18.075 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.361 29.159 -18.355 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.724 29.176 -17.199 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.253 27.600 -16.597 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.444 28.944 -14.892 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.018 28.840 -15.904 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.002 31.059 -16.396 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.904 31.188 -15.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.606 32.117 -16.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.176 30.504 -16.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.334 31.275 -17.898 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.386 26.481 -21.173 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.640 25.884 -22.274 1.00 0.00 C ATOM 1148 C LYS A 75 -7.181 25.663 -21.886 1.00 0.00 C ATOM 1149 O LYS A 75 -6.268 26.075 -22.603 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.719 26.776 -23.515 1.00 0.00 C ATOM 1151 CG LYS A 75 -10.140 27.095 -23.945 1.00 0.00 C ATOM 1152 CD LYS A 75 -10.198 27.530 -25.400 1.00 0.00 C ATOM 1153 CE LYS A 75 -9.746 28.972 -25.569 1.00 0.00 C ATOM 1154 NZ LYS A 75 -10.750 29.934 -25.035 1.00 0.00 N ATOM 0 H LYS A 75 -10.201 25.944 -20.876 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.088 24.917 -22.501 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.191 27.708 -23.316 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.201 26.285 -24.339 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.770 26.217 -23.801 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.544 27.885 -23.312 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.566 26.877 -26.002 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.216 27.421 -25.773 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.795 29.117 -25.056 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.573 29.177 -26.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.527 30.892 -25.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.699 29.663 -25.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.725 29.920 -23.995 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.969 25.009 -20.749 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.621 24.732 -20.266 1.00 0.00 C ATOM 1170 C LEU A 76 -5.457 23.253 -19.928 1.00 0.00 C ATOM 1171 O LEU A 76 -6.207 22.705 -19.121 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.313 25.586 -19.035 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.797 27.035 -19.086 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.599 27.712 -17.738 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -5.070 27.802 -20.181 1.00 0.00 C ATOM 0 H LEU A 76 -7.713 24.661 -20.145 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.918 24.984 -21.060 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.758 25.106 -18.164 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.234 25.590 -18.881 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.862 27.034 -19.316 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.949 28.743 -17.794 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.165 27.177 -16.976 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.541 27.702 -17.478 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.427 28.832 -20.203 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.999 27.794 -19.981 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.263 27.331 -21.145 1.00 0.00 H new ATOM 1187 N MET A 77 -4.470 22.615 -20.548 1.00 0.00 N ATOM 1188 CA MET A 77 -4.206 21.201 -20.310 1.00 0.00 C ATOM 1189 C MET A 77 -2.826 21.003 -19.691 1.00 0.00 C ATOM 1190 O MET A 77 -1.833 21.540 -20.180 1.00 0.00 O ATOM 1191 CB MET A 77 -4.310 20.413 -21.617 1.00 0.00 C ATOM 1192 CG MET A 77 -5.574 20.710 -22.406 1.00 0.00 C ATOM 1193 SD MET A 77 -7.071 20.209 -21.534 1.00 0.00 S ATOM 1194 CE MET A 77 -8.191 21.527 -21.999 1.00 0.00 C ATOM 0 H MET A 77 -3.840 23.055 -21.219 1.00 0.00 H new ATOM 0 HA MET A 77 -4.955 20.830 -19.611 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.443 20.638 -22.238 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.273 19.347 -21.393 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.622 21.778 -22.619 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.528 20.196 -23.366 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.163 21.358 -21.536 1.00 0.00 H new ATOM 0 HE2 MET A 77 -7.789 22.482 -21.661 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.303 21.544 -23.083 1.00 0.00 H new ATOM 1204 N SER A 78 -2.772 20.229 -18.612 1.00 0.00 N ATOM 1205 CA SER A 78 -1.514 19.963 -17.924 1.00 0.00 C ATOM 1206 C SER A 78 -1.452 18.516 -17.444 1.00 0.00 C ATOM 1207 O SER A 78 -2.482 17.879 -17.221 1.00 0.00 O ATOM 1208 CB SER A 78 -1.347 20.913 -16.736 1.00 0.00 C ATOM 1209 OG SER A 78 -1.058 20.198 -15.547 1.00 0.00 O ATOM 0 H SER A 78 -3.585 19.775 -18.195 1.00 0.00 H new ATOM 0 HA SER A 78 -0.701 20.129 -18.630 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.544 21.621 -16.943 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.258 21.495 -16.601 1.00 0.00 H new ATOM 0 HG SER A 78 -0.954 20.828 -14.803 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.236 18.003 -17.288 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.037 16.631 -16.834 1.00 0.00 C ATOM 1217 C VAL A 79 1.217 16.513 -15.976 1.00 0.00 C ATOM 1218 O VAL A 79 2.261 17.078 -16.302 1.00 0.00 O ATOM 1219 CB VAL A 79 0.073 15.657 -18.022 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -0.776 14.419 -17.778 1.00 0.00 C ATOM 1221 CG2 VAL A 79 -0.336 16.347 -19.315 1.00 0.00 C ATOM 0 H VAL A 79 0.627 18.516 -17.469 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.909 16.366 -16.236 1.00 0.00 H new ATOM 0 HB VAL A 79 1.112 15.343 -18.117 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.686 13.743 -18.628 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.433 13.915 -16.875 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.819 14.711 -17.656 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.252 15.645 -20.144 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.367 16.691 -19.233 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.318 17.200 -19.495 1.00 0.00 H new ATOM 1231 N SER A 80 1.108 15.773 -14.877 1.00 0.00 N ATOM 1232 CA SER A 80 2.232 15.582 -13.968 1.00 0.00 C ATOM 1233 C SER A 80 2.364 14.116 -13.567 1.00 0.00 C ATOM 1234 O SER A 80 1.683 13.647 -12.654 1.00 0.00 O ATOM 1235 CB SER A 80 2.061 16.451 -12.721 1.00 0.00 C ATOM 1236 OG SER A 80 2.128 17.829 -13.046 1.00 0.00 O ATOM 0 H SER A 80 0.252 15.296 -14.595 1.00 0.00 H new ATOM 0 HA SER A 80 3.142 15.881 -14.488 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.103 16.232 -12.250 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.837 16.207 -11.995 1.00 0.00 H new ATOM 0 HG SER A 80 1.473 18.324 -12.510 1.00 0.00 H new ATOM 1242 N PHE A 81 3.244 13.397 -14.256 1.00 0.00 N ATOM 1243 CA PHE A 81 3.465 11.984 -13.973 1.00 0.00 C ATOM 1244 C PHE A 81 4.774 11.779 -13.216 1.00 0.00 C ATOM 1245 O PHE A 81 5.802 12.360 -13.564 1.00 0.00 O ATOM 1246 CB PHE A 81 3.483 11.178 -15.274 1.00 0.00 C ATOM 1247 CG PHE A 81 2.118 10.763 -15.742 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.108 11.700 -15.891 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.844 9.437 -16.032 1.00 0.00 C ATOM 1250 CE1 PHE A 81 -0.150 11.322 -16.321 1.00 0.00 C ATOM 1251 CE2 PHE A 81 0.588 9.053 -16.463 1.00 0.00 C ATOM 1252 CZ PHE A 81 -0.410 9.996 -16.607 1.00 0.00 C ATOM 0 H PHE A 81 3.816 13.770 -15.014 1.00 0.00 H new ATOM 0 HA PHE A 81 2.645 11.632 -13.347 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.960 11.772 -16.053 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.096 10.288 -15.132 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.306 12.738 -15.668 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.620 8.695 -15.920 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.928 12.062 -16.433 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.387 8.016 -16.687 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.392 9.697 -16.943 1.00 0.00 H new ATOM 1262 N SER A 82 4.727 10.949 -12.179 1.00 0.00 N ATOM 1263 CA SER A 82 5.907 10.670 -11.369 1.00 0.00 C ATOM 1264 C SER A 82 6.038 9.174 -11.097 1.00 0.00 C ATOM 1265 O SER A 82 5.061 8.506 -10.757 1.00 0.00 O ATOM 1266 CB SER A 82 5.837 11.436 -10.047 1.00 0.00 C ATOM 1267 OG SER A 82 6.969 11.164 -9.239 1.00 0.00 O ATOM 0 H SER A 82 3.884 10.458 -11.880 1.00 0.00 H new ATOM 0 HA SER A 82 6.785 10.999 -11.925 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.777 12.506 -10.246 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.929 11.160 -9.511 1.00 0.00 H new ATOM 0 HG SER A 82 6.901 11.667 -8.400 1.00 0.00 H new ATOM 1273 N ASP A 83 7.252 8.656 -11.249 1.00 0.00 N ATOM 1274 CA ASP A 83 7.513 7.240 -11.019 1.00 0.00 C ATOM 1275 C ASP A 83 6.717 6.375 -11.992 1.00 0.00 C ATOM 1276 O ASP A 83 5.841 5.611 -11.585 1.00 0.00 O ATOM 1277 CB ASP A 83 7.163 6.862 -9.579 1.00 0.00 C ATOM 1278 CG ASP A 83 7.565 7.934 -8.585 1.00 0.00 C ATOM 1279 OD1 ASP A 83 8.736 8.368 -8.622 1.00 0.00 O ATOM 1280 OD2 ASP A 83 6.709 8.340 -7.772 1.00 0.00 O ATOM 0 H ASP A 83 8.071 9.195 -11.530 1.00 0.00 H new ATOM 0 HA ASP A 83 8.575 7.060 -11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.090 6.685 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.660 5.927 -9.321 1.00 0.00 H new ATOM 1285 N ILE A 84 7.026 6.502 -13.278 1.00 0.00 N ATOM 1286 CA ILE A 84 6.340 5.733 -14.308 1.00 0.00 C ATOM 1287 C ILE A 84 7.330 5.150 -15.310 1.00 0.00 C ATOM 1288 O ILE A 84 8.510 5.501 -15.309 1.00 0.00 O ATOM 1289 CB ILE A 84 5.311 6.595 -15.063 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.966 7.880 -15.574 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.129 6.920 -14.161 1.00 0.00 C ATOM 1292 CD1 ILE A 84 5.431 8.339 -16.912 1.00 0.00 C ATOM 0 H ILE A 84 7.747 7.131 -13.631 1.00 0.00 H new ATOM 0 HA ILE A 84 5.819 4.921 -13.801 1.00 0.00 H new ATOM 0 HB ILE A 84 4.945 6.030 -15.920 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.815 8.672 -14.840 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.041 7.722 -15.656 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.410 7.530 -14.709 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.650 5.995 -13.841 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.479 7.469 -13.287 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.940 9.255 -17.213 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.606 7.565 -17.659 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.361 8.529 -16.830 1.00 0.00 H new ATOM 1304 N ASP A 85 6.842 4.260 -16.166 1.00 0.00 N ATOM 1305 CA ASP A 85 7.683 3.629 -17.177 1.00 0.00 C ATOM 1306 C ASP A 85 7.891 4.560 -18.368 1.00 0.00 C ATOM 1307 O ASP A 85 7.122 5.498 -18.576 1.00 0.00 O ATOM 1308 CB ASP A 85 7.058 2.314 -17.644 1.00 0.00 C ATOM 1309 CG ASP A 85 8.034 1.453 -18.421 1.00 0.00 C ATOM 1310 OD1 ASP A 85 9.249 1.542 -18.151 1.00 0.00 O ATOM 1311 OD2 ASP A 85 7.582 0.690 -19.301 1.00 0.00 O ATOM 0 H ASP A 85 5.868 3.959 -16.180 1.00 0.00 H new ATOM 0 HA ASP A 85 8.654 3.420 -16.728 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.698 1.759 -16.778 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.191 2.529 -18.268 1.00 0.00 H new ATOM 1316 N GLU A 86 8.935 4.292 -19.147 1.00 0.00 N ATOM 1317 CA GLU A 86 9.244 5.107 -20.316 1.00 0.00 C ATOM 1318 C GLU A 86 8.259 4.830 -21.448 1.00 0.00 C ATOM 1319 O GLU A 86 7.800 5.749 -22.125 1.00 0.00 O ATOM 1320 CB GLU A 86 10.673 4.837 -20.791 1.00 0.00 C ATOM 1321 CG GLU A 86 10.936 3.379 -21.128 1.00 0.00 C ATOM 1322 CD GLU A 86 12.358 2.955 -20.812 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.264 3.809 -20.893 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.563 1.767 -20.483 1.00 0.00 O ATOM 0 H GLU A 86 9.580 3.518 -18.990 1.00 0.00 H new ATOM 0 HA GLU A 86 9.156 6.155 -20.030 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.876 5.447 -21.671 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.371 5.154 -20.016 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.241 2.750 -20.572 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.738 3.213 -22.187 1.00 0.00 H new ATOM 1331 N ASN A 87 7.939 3.555 -21.647 1.00 0.00 N ATOM 1332 CA ASN A 87 7.009 3.156 -22.697 1.00 0.00 C ATOM 1333 C ASN A 87 5.641 3.796 -22.485 1.00 0.00 C ATOM 1334 O ASN A 87 5.029 4.301 -23.426 1.00 0.00 O ATOM 1335 CB ASN A 87 6.872 1.632 -22.733 1.00 0.00 C ATOM 1336 CG ASN A 87 8.137 0.949 -23.217 1.00 0.00 C ATOM 1337 OD1 ASN A 87 9.247 1.378 -22.901 1.00 0.00 O ATOM 1338 ND2 ASN A 87 7.974 -0.120 -23.987 1.00 0.00 N ATOM 0 H ASN A 87 8.310 2.781 -21.095 1.00 0.00 H new ATOM 0 HA ASN A 87 7.407 3.501 -23.651 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.625 1.268 -21.736 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.043 1.360 -23.386 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.788 -0.622 -24.342 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.035 -0.440 -24.223 1.00 0.00 H new ATOM 1345 N MET A 88 5.168 3.771 -21.244 1.00 0.00 N ATOM 1346 CA MET A 88 3.873 4.350 -20.908 1.00 0.00 C ATOM 1347 C MET A 88 3.862 5.852 -21.177 1.00 0.00 C ATOM 1348 O MET A 88 2.834 6.420 -21.545 1.00 0.00 O ATOM 1349 CB MET A 88 3.535 4.082 -19.440 1.00 0.00 C ATOM 1350 CG MET A 88 2.064 3.778 -19.201 1.00 0.00 C ATOM 1351 SD MET A 88 1.757 3.077 -17.568 1.00 0.00 S ATOM 1352 CE MET A 88 0.306 2.079 -17.896 1.00 0.00 C ATOM 0 H MET A 88 5.662 3.356 -20.454 1.00 0.00 H new ATOM 0 HA MET A 88 3.119 3.880 -21.539 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.133 3.243 -19.085 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.819 4.950 -18.846 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.484 4.694 -19.314 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.712 3.082 -19.963 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.351 1.166 -17.302 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.590 2.641 -17.631 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.273 1.822 -18.955 1.00 0.00 H new ATOM 1362 N LYS A 89 5.013 6.489 -20.992 1.00 0.00 N ATOM 1363 CA LYS A 89 5.138 7.925 -21.216 1.00 0.00 C ATOM 1364 C LYS A 89 4.816 8.279 -22.664 1.00 0.00 C ATOM 1365 O LYS A 89 4.404 9.401 -22.963 1.00 0.00 O ATOM 1366 CB LYS A 89 6.552 8.395 -20.867 1.00 0.00 C ATOM 1367 CG LYS A 89 6.613 9.837 -20.392 1.00 0.00 C ATOM 1368 CD LYS A 89 7.900 10.121 -19.637 1.00 0.00 C ATOM 1369 CE LYS A 89 9.026 10.513 -20.582 1.00 0.00 C ATOM 1370 NZ LYS A 89 9.809 9.330 -21.034 1.00 0.00 N ATOM 0 H LYS A 89 5.873 6.034 -20.687 1.00 0.00 H new ATOM 0 HA LYS A 89 4.423 8.433 -20.569 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.960 7.748 -20.091 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.190 8.282 -21.743 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.537 10.507 -21.249 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.759 10.045 -19.748 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.732 10.922 -18.918 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.192 9.238 -19.068 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.610 11.026 -21.449 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.690 11.219 -20.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.808 9.456 -20.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.438 8.473 -20.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.728 9.234 -22.066 1.00 0.00 H new ATOM 1384 N LYS A 90 5.006 7.317 -23.561 1.00 0.00 N ATOM 1385 CA LYS A 90 4.733 7.526 -24.978 1.00 0.00 C ATOM 1386 C LYS A 90 3.234 7.642 -25.232 1.00 0.00 C ATOM 1387 O LYS A 90 2.765 8.626 -25.805 1.00 0.00 O ATOM 1388 CB LYS A 90 5.314 6.377 -25.805 1.00 0.00 C ATOM 1389 CG LYS A 90 6.824 6.249 -25.692 1.00 0.00 C ATOM 1390 CD LYS A 90 7.427 5.645 -26.949 1.00 0.00 C ATOM 1391 CE LYS A 90 7.468 6.652 -28.087 1.00 0.00 C ATOM 1392 NZ LYS A 90 8.498 7.704 -27.861 1.00 0.00 N ATOM 0 H LYS A 90 5.348 6.384 -23.331 1.00 0.00 H new ATOM 0 HA LYS A 90 5.208 8.459 -25.280 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.854 5.442 -25.486 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.047 6.523 -26.852 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.261 7.231 -25.513 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.074 5.628 -24.832 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.437 5.293 -26.737 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.844 4.776 -27.252 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.678 6.134 -29.023 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.489 7.119 -28.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.662 8.225 -28.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.166 8.363 -27.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.386 7.260 -27.551 1.00 0.00 H new ATOM 1406 N VAL A 91 2.485 6.631 -24.802 1.00 0.00 N ATOM 1407 CA VAL A 91 1.038 6.621 -24.980 1.00 0.00 C ATOM 1408 C VAL A 91 0.377 7.730 -24.170 1.00 0.00 C ATOM 1409 O VAL A 91 -0.591 8.346 -24.617 1.00 0.00 O ATOM 1410 CB VAL A 91 0.431 5.267 -24.568 1.00 0.00 C ATOM 1411 CG1 VAL A 91 0.792 4.936 -23.128 1.00 0.00 C ATOM 1412 CG2 VAL A 91 -1.078 5.280 -24.759 1.00 0.00 C ATOM 0 H VAL A 91 2.857 5.808 -24.328 1.00 0.00 H new ATOM 0 HA VAL A 91 0.848 6.788 -26.040 1.00 0.00 H new ATOM 0 HB VAL A 91 0.849 4.491 -25.209 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.354 3.976 -22.855 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.876 4.882 -23.028 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.405 5.712 -22.468 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.491 4.315 -24.463 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.516 6.066 -24.144 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.310 5.468 -25.807 1.00 0.00 H new ATOM 1422 N ILE A 92 0.905 7.979 -22.977 1.00 0.00 N ATOM 1423 CA ILE A 92 0.367 9.015 -22.105 1.00 0.00 C ATOM 1424 C ILE A 92 0.596 10.403 -22.693 1.00 0.00 C ATOM 1425 O ILE A 92 -0.328 11.213 -22.782 1.00 0.00 O ATOM 1426 CB ILE A 92 0.998 8.955 -20.701 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.671 7.620 -20.028 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.510 10.117 -19.850 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.618 7.261 -18.905 1.00 0.00 C ATOM 0 H ILE A 92 1.705 7.477 -22.592 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.704 8.830 -22.021 1.00 0.00 H new ATOM 0 HB ILE A 92 2.080 9.034 -20.802 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.346 7.659 -19.636 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.693 6.829 -20.778 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.965 10.060 -18.861 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.789 11.058 -20.324 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.575 10.067 -19.754 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.326 6.303 -18.475 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.634 7.189 -19.294 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.578 8.032 -18.135 1.00 0.00 H new ATOM 1441 N LYS A 93 1.833 10.672 -23.096 1.00 0.00 N ATOM 1442 CA LYS A 93 2.185 11.961 -23.680 1.00 0.00 C ATOM 1443 C LYS A 93 1.415 12.200 -24.975 1.00 0.00 C ATOM 1444 O LYS A 93 0.944 13.308 -25.232 1.00 0.00 O ATOM 1445 CB LYS A 93 3.690 12.027 -23.950 1.00 0.00 C ATOM 1446 CG LYS A 93 4.138 13.335 -24.579 1.00 0.00 C ATOM 1447 CD LYS A 93 5.653 13.449 -24.610 1.00 0.00 C ATOM 1448 CE LYS A 93 6.235 12.803 -25.858 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.257 11.318 -25.753 1.00 0.00 N ATOM 0 H LYS A 93 2.609 10.014 -23.029 1.00 0.00 H new ATOM 0 HA LYS A 93 1.915 12.741 -22.968 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.226 11.882 -23.012 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.969 11.203 -24.607 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.746 13.405 -25.594 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.721 14.171 -24.018 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.941 14.500 -24.575 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.073 12.974 -23.723 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.647 13.097 -26.727 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.248 13.171 -26.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.177 10.960 -26.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.109 11.038 -24.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.500 10.917 -26.343 1.00 0.00 H new ATOM 1463 N ALA A 94 1.289 11.154 -25.785 1.00 0.00 N ATOM 1464 CA ALA A 94 0.572 11.251 -27.051 1.00 0.00 C ATOM 1465 C ALA A 94 -0.900 11.579 -26.825 1.00 0.00 C ATOM 1466 O ALA A 94 -1.446 12.492 -27.445 1.00 0.00 O ATOM 1467 CB ALA A 94 0.712 9.955 -27.836 1.00 0.00 C ATOM 0 H ALA A 94 1.674 10.230 -25.587 1.00 0.00 H new ATOM 0 HA ALA A 94 1.013 12.063 -27.629 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.172 10.041 -28.779 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.766 9.764 -28.037 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.298 9.131 -27.255 1.00 0.00 H new ATOM 1473 N THR A 95 -1.539 10.827 -25.933 1.00 0.00 N ATOM 1474 CA THR A 95 -2.948 11.037 -25.627 1.00 0.00 C ATOM 1475 C THR A 95 -3.185 12.431 -25.059 1.00 0.00 C ATOM 1476 O THR A 95 -4.173 13.087 -25.390 1.00 0.00 O ATOM 1477 CB THR A 95 -3.466 9.991 -24.623 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.216 8.670 -25.118 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.956 10.171 -24.373 1.00 0.00 C ATOM 0 H THR A 95 -1.102 10.068 -25.410 1.00 0.00 H new ATOM 0 HA THR A 95 -3.494 10.932 -26.564 1.00 0.00 H new ATOM 0 HB THR A 95 -2.936 10.132 -23.681 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.303 8.401 -24.886 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.299 9.421 -23.661 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.139 11.166 -23.968 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.499 10.055 -25.311 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.274 12.879 -24.202 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.384 14.198 -23.590 1.00 0.00 C ATOM 1489 C ALA A 96 -2.097 15.300 -24.604 1.00 0.00 C ATOM 1490 O ALA A 96 -2.628 16.404 -24.500 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.436 14.310 -22.404 1.00 0.00 C ATOM 0 H ALA A 96 -1.451 12.348 -23.915 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.408 14.323 -23.237 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.528 15.300 -21.957 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.689 13.552 -21.663 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.411 14.159 -22.742 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.252 14.991 -25.583 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.894 15.957 -26.615 1.00 0.00 C ATOM 1499 C GLU A 97 -2.030 16.124 -27.621 1.00 0.00 C ATOM 1500 O GLU A 97 -2.257 17.216 -28.142 1.00 0.00 O ATOM 1501 CB GLU A 97 0.381 15.516 -27.337 1.00 0.00 C ATOM 1502 CG GLU A 97 0.693 16.338 -28.577 1.00 0.00 C ATOM 1503 CD GLU A 97 2.090 16.083 -29.109 1.00 0.00 C ATOM 1504 OE1 GLU A 97 3.048 16.674 -28.567 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.225 15.293 -30.067 1.00 0.00 O ATOM 0 H GLU A 97 -0.803 14.080 -25.683 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.715 16.918 -26.132 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.221 15.583 -26.646 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.284 14.468 -27.621 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.036 16.107 -29.354 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.585 17.397 -28.343 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.739 15.034 -27.890 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.851 15.057 -28.833 1.00 0.00 C ATOM 1514 C LYS A 98 -4.888 16.100 -28.425 1.00 0.00 C ATOM 1515 O LYS A 98 -5.614 16.629 -29.267 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.506 13.676 -28.915 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.840 13.245 -30.333 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.634 12.641 -31.031 1.00 0.00 C ATOM 1519 CE LYS A 98 -2.850 13.693 -31.801 1.00 0.00 C ATOM 1520 NZ LYS A 98 -2.220 13.130 -33.026 1.00 0.00 N ATOM 0 H LYS A 98 -2.563 14.122 -27.468 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.458 15.325 -29.814 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.839 12.939 -28.468 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.420 13.680 -28.321 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.651 12.517 -30.311 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.198 14.104 -30.901 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.984 12.169 -30.294 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.962 11.858 -31.714 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.515 14.511 -32.078 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.078 14.114 -31.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.695 13.879 -33.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.566 12.367 -32.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.958 12.751 -33.653 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.950 16.391 -27.130 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.897 17.371 -26.612 1.00 0.00 C ATOM 1536 C PHE A 99 -5.718 18.719 -27.302 1.00 0.00 C ATOM 1537 O PHE A 99 -6.637 19.538 -27.341 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.721 17.532 -25.100 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.609 16.628 -24.293 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -6.298 15.287 -24.138 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.755 17.121 -23.689 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -7.114 14.454 -23.397 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.574 16.292 -22.947 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.253 14.957 -22.799 1.00 0.00 C ATOM 0 H PHE A 99 -4.356 15.962 -26.420 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.904 17.009 -26.818 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.681 17.333 -24.840 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.925 18.567 -24.827 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.408 14.888 -24.602 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.010 18.165 -23.800 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.861 13.410 -23.285 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.465 16.688 -22.483 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.891 14.308 -22.217 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.527 18.944 -27.847 1.00 0.00 N ATOM 1555 CA LYS A 100 -4.224 20.192 -28.538 1.00 0.00 C ATOM 1556 C LYS A 100 -5.309 20.527 -29.557 1.00 0.00 C ATOM 1557 O LYS A 100 -5.579 21.696 -29.829 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.866 20.097 -29.235 1.00 0.00 C ATOM 1559 CG LYS A 100 -2.864 19.173 -30.441 1.00 0.00 C ATOM 1560 CD LYS A 100 -1.563 19.273 -31.219 1.00 0.00 C ATOM 1561 CE LYS A 100 -0.369 18.890 -30.359 1.00 0.00 C ATOM 1562 NZ LYS A 100 0.636 18.101 -31.124 1.00 0.00 N ATOM 0 H LYS A 100 -3.755 18.278 -27.823 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.189 20.990 -27.796 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.559 21.094 -29.551 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.123 19.747 -28.518 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.014 18.145 -30.113 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.700 19.424 -31.094 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.608 18.621 -32.091 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.436 20.291 -31.588 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.100 19.792 -29.967 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.710 18.310 -29.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.566 18.188 -30.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.352 17.101 -31.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.693 18.462 -32.098 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.927 19.492 -30.117 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.983 19.677 -31.106 1.00 0.00 C ATOM 1578 C ASN A 101 -8.055 20.630 -30.586 1.00 0.00 C ATOM 1579 O ASN A 101 -8.698 21.341 -31.359 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.614 18.330 -31.467 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.689 17.462 -32.297 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -6.161 17.899 -33.320 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -6.488 16.225 -31.859 1.00 0.00 N ATOM 0 H ASN A 101 -5.715 18.517 -29.903 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.537 20.113 -32.000 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.881 17.800 -30.553 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.539 18.501 -32.018 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.875 15.594 -32.376 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.947 15.905 -31.006 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.241 20.641 -29.271 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.233 21.508 -28.645 1.00 0.00 C ATOM 1592 C LYS A 102 -8.566 22.510 -27.709 1.00 0.00 C ATOM 1593 O LYS A 102 -9.129 23.562 -27.407 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.255 20.672 -27.871 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.231 19.924 -28.762 1.00 0.00 C ATOM 1596 CD LYS A 102 -12.530 19.619 -28.036 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.323 18.595 -26.931 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.323 18.748 -25.838 1.00 0.00 N ATOM 0 H LYS A 102 -7.718 20.059 -28.617 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.746 22.060 -29.433 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.725 19.954 -27.245 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.815 21.326 -27.202 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.441 20.518 -29.651 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.776 18.993 -29.101 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.935 20.537 -27.611 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.266 19.245 -28.747 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.393 17.591 -27.349 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.318 18.701 -26.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.831 18.810 -24.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.877 19.615 -25.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.960 17.926 -25.833 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.362 22.178 -27.254 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.638 23.061 -26.358 1.00 0.00 C ATOM 1614 C GLY A 103 -5.143 23.043 -26.609 1.00 0.00 C ATOM 1615 O GLY A 103 -4.407 22.297 -25.962 1.00 0.00 O ATOM 0 H GLY A 103 -6.875 21.313 -27.490 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.011 24.078 -26.476 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.834 22.767 -25.327 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.693 23.864 -27.551 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.276 23.937 -27.888 1.00 0.00 C ATOM 1621 C PHE A 104 -2.429 24.142 -26.635 1.00 0.00 C ATOM 1622 O PHE A 104 -1.272 23.723 -26.578 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.024 25.076 -28.879 1.00 0.00 C ATOM 1624 CG PHE A 104 -2.990 24.626 -30.312 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -4.167 24.425 -31.016 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -1.783 24.405 -30.955 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -4.140 24.012 -32.335 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -1.750 23.992 -32.273 1.00 0.00 C ATOM 1629 CZ PHE A 104 -2.930 23.794 -32.964 1.00 0.00 C ATOM 0 H PHE A 104 -5.289 24.488 -28.095 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.989 22.992 -28.349 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.803 25.829 -28.761 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.077 25.557 -28.635 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.116 24.593 -30.529 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.857 24.557 -30.420 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.064 23.860 -32.873 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.802 23.824 -32.763 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.906 23.469 -33.994 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.013 24.790 -25.633 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.315 25.051 -24.380 1.00 0.00 C ATOM 1641 C LYS A 105 -2.163 23.770 -23.565 1.00 0.00 C ATOM 1642 O LYS A 105 -2.897 23.545 -22.602 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.068 26.103 -23.562 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.181 26.875 -22.601 1.00 0.00 C ATOM 1645 CD LYS A 105 -2.693 28.289 -22.384 1.00 0.00 C ATOM 1646 CE LYS A 105 -2.131 29.250 -23.421 1.00 0.00 C ATOM 1647 NZ LYS A 105 -2.889 29.191 -24.700 1.00 0.00 N ATOM 0 H LYS A 105 -3.969 25.144 -25.664 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.321 25.429 -24.619 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.549 26.805 -24.243 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.861 25.613 -22.997 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.137 26.352 -21.645 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.164 26.911 -22.992 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.782 28.295 -22.433 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.418 28.628 -21.385 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.161 30.266 -23.028 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.084 29.011 -23.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.785 30.093 -25.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.518 28.418 -25.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.895 29.021 -24.500 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.205 22.935 -23.955 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.956 21.679 -23.259 1.00 0.00 C ATOM 1663 C VAL A 106 0.438 21.661 -22.641 1.00 0.00 C ATOM 1664 O VAL A 106 1.390 22.183 -23.219 1.00 0.00 O ATOM 1665 CB VAL A 106 -1.101 20.474 -24.207 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.805 19.176 -23.470 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -2.493 20.443 -24.820 1.00 0.00 C ATOM 0 H VAL A 106 -0.589 23.106 -24.750 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.702 21.601 -22.468 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.376 20.579 -25.014 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.912 18.336 -24.156 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.214 19.201 -23.084 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.504 19.060 -22.642 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.578 19.585 -25.487 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.238 20.362 -24.028 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.662 21.360 -25.385 1.00 0.00 H new ATOM 1677 N GLU A 107 0.548 21.055 -21.462 1.00 0.00 N ATOM 1678 CA GLU A 107 1.826 20.970 -20.765 1.00 0.00 C ATOM 1679 C GLU A 107 2.013 19.590 -20.140 1.00 0.00 C ATOM 1680 O GLU A 107 1.335 19.236 -19.175 1.00 0.00 O ATOM 1681 CB GLU A 107 1.916 22.049 -19.684 1.00 0.00 C ATOM 1682 CG GLU A 107 2.389 23.395 -20.206 1.00 0.00 C ATOM 1683 CD GLU A 107 3.864 23.399 -20.558 1.00 0.00 C ATOM 1684 OE1 GLU A 107 4.691 23.608 -19.645 1.00 0.00 O ATOM 1685 OE2 GLU A 107 4.192 23.193 -21.745 1.00 0.00 O ATOM 0 H GLU A 107 -0.231 20.617 -20.971 1.00 0.00 H new ATOM 0 HA GLU A 107 2.620 21.131 -21.494 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.936 22.172 -19.222 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.597 21.712 -18.902 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.808 23.663 -21.089 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.197 24.160 -19.454 1.00 0.00 H new ATOM 1692 N THR A 108 2.939 18.815 -20.697 1.00 0.00 N ATOM 1693 CA THR A 108 3.215 17.474 -20.196 1.00 0.00 C ATOM 1694 C THR A 108 4.532 17.434 -19.429 1.00 0.00 C ATOM 1695 O THR A 108 5.592 17.731 -19.980 1.00 0.00 O ATOM 1696 CB THR A 108 3.270 16.447 -21.342 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.450 16.652 -22.127 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.039 16.558 -22.229 1.00 0.00 C ATOM 0 H THR A 108 3.510 19.093 -21.495 1.00 0.00 H new ATOM 0 HA THR A 108 2.398 17.213 -19.523 1.00 0.00 H new ATOM 0 HB THR A 108 3.294 15.449 -20.905 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.065 17.244 -21.645 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.101 15.823 -23.031 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.144 16.372 -21.635 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.988 17.559 -22.658 1.00 0.00 H new ATOM 1706 N ASP A 109 4.458 17.065 -18.155 1.00 0.00 N ATOM 1707 CA ASP A 109 5.645 16.985 -17.312 1.00 0.00 C ATOM 1708 C ASP A 109 6.579 15.879 -17.793 1.00 0.00 C ATOM 1709 O ASP A 109 6.148 14.752 -18.037 1.00 0.00 O ATOM 1710 CB ASP A 109 5.247 16.736 -15.856 1.00 0.00 C ATOM 1711 CG ASP A 109 6.443 16.712 -14.925 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.403 17.472 -15.173 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.420 15.933 -13.949 1.00 0.00 O ATOM 0 H ASP A 109 3.588 16.817 -17.683 1.00 0.00 H new ATOM 0 HA ASP A 109 6.173 17.936 -17.379 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.555 17.514 -15.534 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.716 15.787 -15.785 1.00 0.00 H new ATOM 1718 N MET A 110 7.859 16.209 -17.928 1.00 0.00 N ATOM 1719 CA MET A 110 8.854 15.244 -18.381 1.00 0.00 C ATOM 1720 C MET A 110 9.062 14.149 -17.338 1.00 0.00 C ATOM 1721 O MET A 110 8.642 13.008 -17.530 1.00 0.00 O ATOM 1722 CB MET A 110 10.181 15.946 -18.673 1.00 0.00 C ATOM 1723 CG MET A 110 11.051 15.207 -19.677 1.00 0.00 C ATOM 1724 SD MET A 110 10.720 15.701 -21.379 1.00 0.00 S ATOM 1725 CE MET A 110 12.217 16.605 -21.766 1.00 0.00 C ATOM 0 H MET A 110 8.232 17.138 -17.730 1.00 0.00 H new ATOM 0 HA MET A 110 8.487 14.783 -19.298 1.00 0.00 H new ATOM 0 HB2 MET A 110 9.977 16.948 -19.050 1.00 0.00 H new ATOM 0 HB3 MET A 110 10.734 16.062 -17.741 1.00 0.00 H new ATOM 0 HG2 MET A 110 12.101 15.391 -19.447 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.885 14.134 -19.575 1.00 0.00 H new ATOM 0 HE1 MET A 110 12.164 16.976 -22.790 1.00 0.00 H new ATOM 0 HE2 MET A 110 12.322 17.446 -21.081 1.00 0.00 H new ATOM 0 HE3 MET A 110 13.078 15.944 -21.664 1.00 0.00 H new TER 1735 MET A 110