USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 Single : A 1 MET CE :methyl 165:sc= -0.0189 (180deg=-0.304) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 150:sc= 0 USER MOD Single : A 7 THR OG1 : rot -70:sc= 1.31 USER MOD Single : A 8 THR OG1 : rot 45:sc= 0.451 USER MOD Single : A 12 GLN : amide:sc= -0.302 K(o=-0.3,f=-1.1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 90:sc= 0.0419 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.0195 (180deg=-0.191) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 42 THR OG1 : rot 104:sc= 1.31 USER MOD Single : A 43 THR OG1 : rot 81:sc= -0.0281 USER MOD Single : A 44 MET CE :methyl -148:sc= 0 (180deg=-0.417) USER MOD Single : A 46 TYR OH : rot -26:sc= 0.666 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 1.31 (180deg=1.21) USER MOD Single : A 52 ASN : amide:sc= -0.0375 X(o=-0.038,f=-0.0013) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 1.35 (180deg=1.06) USER MOD Single : A 54 MET CE :methyl -146:sc= -1.78! (180deg=-3.4!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.908 K(o=0.91,f=-1.2) USER MOD Single : A 70 HIS : no HD1:sc= -0.93 K(o=-0.93,f=0.26) USER MOD Single : A 71 GLN : amide:sc= -0.953 K(o=-0.95,f=-6.7!) USER MOD Single : A 74 HIS : no HD1:sc= -0.0883 X(o=-0.088,f=0) USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.0207 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= -0.067 (180deg=-0.3) USER MOD Single : A 92 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.5) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.2) USER MOD Single : A 96 ASN : amide:sc= 0.957 K(o=0.96,f=-6.4!) USER MOD Single : A 99 HIS : no HD1:sc= -0.605 K(o=-0.61,f=-6!) USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.15) USER MOD Single : A 109 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ 158:sc= -0.0589 (180deg=-0.447) USER MOD Single : A 111 ASN : amide:sc= 0.492 X(o=0.49,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.833 K(o=0.83,f=-0.52) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -133:sc= 1.05 (180deg=0.154) USER MOD Single : A 119 SER OG : rot -46:sc= 1.31 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 167:sc= 0.55 (180deg=0.293) USER MOD Single : A 201 ACD O2 : rot -100:sc= 0.713 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.394 5.626 -17.092 1.00 0.00 N ATOM 2 CA MET A 1 13.108 5.235 -15.694 1.00 0.00 C ATOM 3 C MET A 1 13.311 6.425 -14.760 1.00 0.00 C ATOM 4 O MET A 1 14.252 6.458 -13.965 1.00 0.00 O ATOM 5 CB MET A 1 14.007 4.066 -15.268 1.00 0.00 C ATOM 6 CG MET A 1 13.679 3.511 -13.888 1.00 0.00 C ATOM 7 SD MET A 1 14.705 2.097 -13.432 1.00 0.00 S ATOM 8 CE MET A 1 16.317 2.867 -13.295 1.00 0.00 C ATOM 0 H1 MET A 1 13.252 4.807 -17.717 1.00 0.00 H new ATOM 0 H2 MET A 1 12.753 6.394 -17.376 1.00 0.00 H new ATOM 0 H3 MET A 1 14.379 5.952 -17.167 1.00 0.00 H new ATOM 0 HA MET A 1 12.069 4.913 -15.631 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.918 3.265 -16.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.046 4.396 -15.280 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.807 4.299 -13.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.630 3.215 -13.862 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.997 2.197 -12.769 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.708 3.072 -14.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.228 3.801 -12.741 1.00 0.00 H new ATOM 20 N GLU A 2 12.437 7.411 -14.867 1.00 0.00 N ATOM 21 CA GLU A 2 12.499 8.573 -13.996 1.00 0.00 C ATOM 22 C GLU A 2 11.602 8.363 -12.793 1.00 0.00 C ATOM 23 O GLU A 2 10.400 8.639 -12.839 1.00 0.00 O ATOM 24 CB GLU A 2 12.084 9.836 -14.741 1.00 0.00 C ATOM 25 CG GLU A 2 12.917 10.119 -15.975 1.00 0.00 C ATOM 26 CD GLU A 2 12.528 11.417 -16.641 1.00 0.00 C ATOM 27 OE1 GLU A 2 13.248 12.422 -16.457 1.00 0.00 O ATOM 28 OE2 GLU A 2 11.495 11.446 -17.338 1.00 0.00 O ATOM 0 H GLU A 2 11.677 7.431 -15.547 1.00 0.00 H new ATOM 0 HA GLU A 2 13.529 8.697 -13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.038 9.747 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.155 10.687 -14.063 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.971 10.156 -15.699 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.802 9.300 -16.685 1.00 0.00 H new ATOM 35 N PHE A 3 12.189 7.854 -11.725 1.00 0.00 N ATOM 36 CA PHE A 3 11.437 7.562 -10.519 1.00 0.00 C ATOM 37 C PHE A 3 11.159 8.829 -9.730 1.00 0.00 C ATOM 38 O PHE A 3 12.078 9.536 -9.305 1.00 0.00 O ATOM 39 CB PHE A 3 12.178 6.551 -9.644 1.00 0.00 C ATOM 40 CG PHE A 3 11.425 6.164 -8.399 1.00 0.00 C ATOM 41 CD1 PHE A 3 10.396 5.239 -8.463 1.00 0.00 C ATOM 42 CD2 PHE A 3 11.745 6.720 -7.171 1.00 0.00 C ATOM 43 CE1 PHE A 3 9.699 4.877 -7.327 1.00 0.00 C ATOM 44 CE2 PHE A 3 11.051 6.361 -6.030 1.00 0.00 C ATOM 45 CZ PHE A 3 10.025 5.438 -6.109 1.00 0.00 C ATOM 0 H PHE A 3 13.183 7.635 -11.668 1.00 0.00 H new ATOM 0 HA PHE A 3 10.485 7.127 -10.822 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.379 5.654 -10.230 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.144 6.969 -9.359 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.136 4.796 -9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.545 7.442 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 3 8.899 4.155 -7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.310 6.801 -5.078 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.480 5.157 -5.220 1.00 0.00 H new ATOM 55 N THR A 4 9.889 9.117 -9.565 1.00 0.00 N ATOM 56 CA THR A 4 9.448 10.196 -8.710 1.00 0.00 C ATOM 57 C THR A 4 8.857 9.609 -7.443 1.00 0.00 C ATOM 58 O THR A 4 8.124 8.620 -7.496 1.00 0.00 O ATOM 59 CB THR A 4 8.388 11.066 -9.401 1.00 0.00 C ATOM 60 OG1 THR A 4 8.448 10.875 -10.822 1.00 0.00 O ATOM 61 CG2 THR A 4 8.620 12.529 -9.075 1.00 0.00 C ATOM 0 H THR A 4 9.131 8.609 -10.020 1.00 0.00 H new ATOM 0 HA THR A 4 10.308 10.825 -8.482 1.00 0.00 H new ATOM 0 HB THR A 4 7.403 10.771 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.768 11.432 -11.256 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.863 13.137 -9.570 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.555 12.676 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.609 12.827 -9.423 1.00 0.00 H new ATOM 69 N VAL A 5 9.193 10.194 -6.311 1.00 0.00 N ATOM 70 CA VAL A 5 8.686 9.699 -5.045 1.00 0.00 C ATOM 71 C VAL A 5 7.366 10.385 -4.728 1.00 0.00 C ATOM 72 O VAL A 5 7.193 11.582 -4.965 1.00 0.00 O ATOM 73 CB VAL A 5 9.694 9.878 -3.871 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.125 9.873 -4.379 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.420 11.129 -3.049 1.00 0.00 C ATOM 0 H VAL A 5 9.808 11.004 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 5 8.534 8.625 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 5 9.554 9.025 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.809 10.000 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.331 8.925 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.263 10.691 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.152 11.204 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.493 12.008 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.418 11.072 -2.623 1.00 0.00 H new ATOM 85 N SER A 6 6.426 9.608 -4.233 1.00 0.00 N ATOM 86 CA SER A 6 5.106 10.119 -3.919 1.00 0.00 C ATOM 87 C SER A 6 5.065 10.657 -2.495 1.00 0.00 C ATOM 88 O SER A 6 4.939 9.895 -1.538 1.00 0.00 O ATOM 89 CB SER A 6 4.061 9.019 -4.113 1.00 0.00 C ATOM 90 OG SER A 6 4.120 8.500 -5.434 1.00 0.00 O ATOM 0 H SER A 6 6.551 8.615 -4.038 1.00 0.00 H new ATOM 0 HA SER A 6 4.877 10.941 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.231 8.218 -3.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.065 9.417 -3.917 1.00 0.00 H new ATOM 0 HG SER A 6 3.846 7.559 -5.428 1.00 0.00 H new ATOM 96 N THR A 7 5.209 11.968 -2.356 1.00 0.00 N ATOM 97 CA THR A 7 5.140 12.599 -1.048 1.00 0.00 C ATOM 98 C THR A 7 3.691 12.706 -0.584 1.00 0.00 C ATOM 99 O THR A 7 2.775 12.288 -1.295 1.00 0.00 O ATOM 100 CB THR A 7 5.774 14.005 -1.057 1.00 0.00 C ATOM 101 OG1 THR A 7 5.065 14.869 -1.957 1.00 0.00 O ATOM 102 CG2 THR A 7 7.239 13.939 -1.459 1.00 0.00 C ATOM 0 H THR A 7 5.374 12.612 -3.130 1.00 0.00 H new ATOM 0 HA THR A 7 5.704 11.971 -0.358 1.00 0.00 H new ATOM 0 HB THR A 7 5.707 14.408 -0.046 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.229 14.585 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.662 14.943 -1.457 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.783 13.315 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.323 13.511 -2.458 1.00 0.00 H new ATOM 110 N THR A 8 3.493 13.261 0.606 1.00 0.00 N ATOM 111 CA THR A 8 2.161 13.475 1.151 1.00 0.00 C ATOM 112 C THR A 8 1.252 14.172 0.137 1.00 0.00 C ATOM 113 O THR A 8 0.135 13.722 -0.117 1.00 0.00 O ATOM 114 CB THR A 8 2.240 14.309 2.446 1.00 0.00 C ATOM 115 OG1 THR A 8 3.069 13.638 3.410 1.00 0.00 O ATOM 116 CG2 THR A 8 0.856 14.537 3.027 1.00 0.00 C ATOM 0 H THR A 8 4.248 13.573 1.216 1.00 0.00 H new ATOM 0 HA THR A 8 1.733 12.499 1.378 1.00 0.00 H new ATOM 0 HB THR A 8 2.677 15.278 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.879 13.305 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.937 15.127 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.241 15.071 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.395 13.576 3.256 1.00 0.00 H new ATOM 124 N GLU A 9 1.753 15.245 -0.463 1.00 0.00 N ATOM 125 CA GLU A 9 0.986 16.012 -1.436 1.00 0.00 C ATOM 126 C GLU A 9 0.609 15.166 -2.652 1.00 0.00 C ATOM 127 O GLU A 9 -0.539 15.192 -3.101 1.00 0.00 O ATOM 128 CB GLU A 9 1.758 17.254 -1.888 1.00 0.00 C ATOM 129 CG GLU A 9 1.812 18.368 -0.852 1.00 0.00 C ATOM 130 CD GLU A 9 2.546 17.978 0.413 1.00 0.00 C ATOM 131 OE1 GLU A 9 1.881 17.603 1.400 1.00 0.00 O ATOM 132 OE2 GLU A 9 3.793 18.045 0.431 1.00 0.00 O ATOM 0 H GLU A 9 2.692 15.605 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 9 0.068 16.326 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.776 16.962 -2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.300 17.641 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.298 19.239 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.795 18.666 -0.596 1.00 0.00 H new ATOM 139 N ASP A 10 1.571 14.418 -3.185 1.00 0.00 N ATOM 140 CA ASP A 10 1.314 13.565 -4.344 1.00 0.00 C ATOM 141 C ASP A 10 0.303 12.492 -3.991 1.00 0.00 C ATOM 142 O ASP A 10 -0.624 12.217 -4.756 1.00 0.00 O ATOM 143 CB ASP A 10 2.593 12.896 -4.856 1.00 0.00 C ATOM 144 CG ASP A 10 3.671 13.886 -5.233 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.563 14.147 -4.397 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.635 14.409 -6.369 1.00 0.00 O ATOM 0 H ASP A 10 2.529 14.384 -2.837 1.00 0.00 H new ATOM 0 HA ASP A 10 0.921 14.206 -5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.977 12.225 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.352 12.282 -5.724 1.00 0.00 H new ATOM 151 N LEU A 11 0.478 11.903 -2.816 1.00 0.00 N ATOM 152 CA LEU A 11 -0.382 10.830 -2.360 1.00 0.00 C ATOM 153 C LEU A 11 -1.816 11.312 -2.191 1.00 0.00 C ATOM 154 O LEU A 11 -2.760 10.598 -2.524 1.00 0.00 O ATOM 155 CB LEU A 11 0.142 10.247 -1.047 1.00 0.00 C ATOM 156 CG LEU A 11 -0.738 9.164 -0.440 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.756 7.938 -1.338 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.256 8.811 0.957 1.00 0.00 C ATOM 0 H LEU A 11 1.216 12.156 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.375 10.047 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.136 9.835 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.252 11.055 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.757 9.542 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.389 7.170 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.150 8.210 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.258 7.553 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.896 8.035 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.770 8.447 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.296 9.697 1.591 1.00 0.00 H new ATOM 170 N GLN A 12 -1.976 12.538 -1.702 1.00 0.00 N ATOM 171 CA GLN A 12 -3.302 13.083 -1.454 1.00 0.00 C ATOM 172 C GLN A 12 -4.051 13.299 -2.756 1.00 0.00 C ATOM 173 O GLN A 12 -5.281 13.242 -2.790 1.00 0.00 O ATOM 174 CB GLN A 12 -3.221 14.380 -0.652 1.00 0.00 C ATOM 175 CG GLN A 12 -2.805 14.153 0.793 1.00 0.00 C ATOM 176 CD GLN A 12 -3.750 13.217 1.524 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.945 13.171 1.231 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.223 12.457 2.471 1.00 0.00 N ATOM 0 H GLN A 12 -1.208 13.168 -1.472 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.857 12.356 -0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.509 15.053 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.191 14.876 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.797 13.740 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.770 15.110 1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.228 12.525 2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.812 11.804 2.987 1.00 0.00 H new ATOM 187 N ARG A 13 -3.307 13.529 -3.828 1.00 0.00 N ATOM 188 CA ARG A 13 -3.901 13.638 -5.145 1.00 0.00 C ATOM 189 C ARG A 13 -4.457 12.289 -5.579 1.00 0.00 C ATOM 190 O ARG A 13 -5.658 12.148 -5.798 1.00 0.00 O ATOM 191 CB ARG A 13 -2.883 14.124 -6.176 1.00 0.00 C ATOM 192 CG ARG A 13 -3.454 14.157 -7.581 1.00 0.00 C ATOM 193 CD ARG A 13 -2.417 14.529 -8.619 1.00 0.00 C ATOM 194 NE ARG A 13 -2.959 14.433 -9.974 1.00 0.00 N ATOM 195 CZ ARG A 13 -2.299 14.796 -11.072 1.00 0.00 C ATOM 196 NH1 ARG A 13 -1.057 15.259 -10.982 1.00 0.00 N ATOM 197 NH2 ARG A 13 -2.883 14.692 -12.261 1.00 0.00 N ATOM 0 H ARG A 13 -2.294 13.643 -3.808 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.708 14.368 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.541 15.122 -5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.010 13.471 -6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.872 13.180 -7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.275 14.873 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.066 15.545 -8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.553 13.872 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.903 14.064 -10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.607 15.337 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.554 15.536 -11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.836 14.334 -12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.379 14.970 -13.103 1.00 0.00 H new ATOM 211 N TYR A 14 -3.576 11.292 -5.667 1.00 0.00 N ATOM 212 CA TYR A 14 -3.948 9.968 -6.167 1.00 0.00 C ATOM 213 C TYR A 14 -5.087 9.375 -5.348 1.00 0.00 C ATOM 214 O TYR A 14 -5.982 8.730 -5.886 1.00 0.00 O ATOM 215 CB TYR A 14 -2.752 9.012 -6.132 1.00 0.00 C ATOM 216 CG TYR A 14 -1.494 9.569 -6.763 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.260 9.426 -6.140 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.539 10.243 -7.977 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.891 9.936 -6.709 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.393 10.755 -8.553 1.00 0.00 C ATOM 221 CZ TYR A 14 0.819 10.599 -7.915 1.00 0.00 C ATOM 222 OH TYR A 14 1.965 11.110 -8.482 1.00 0.00 O ATOM 0 H TYR A 14 -2.596 11.377 -5.397 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.277 10.092 -7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.540 8.751 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.024 8.089 -6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.200 8.907 -5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.487 10.369 -8.479 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.842 9.816 -6.211 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.446 11.275 -9.498 1.00 0.00 H new ATOM 0 HH TYR A 14 1.743 11.547 -9.331 1.00 0.00 H new ATOM 232 N ARG A 15 -5.042 9.614 -4.048 1.00 0.00 N ATOM 233 CA ARG A 15 -6.043 9.096 -3.134 1.00 0.00 C ATOM 234 C ARG A 15 -7.408 9.726 -3.407 1.00 0.00 C ATOM 235 O ARG A 15 -8.430 9.043 -3.379 1.00 0.00 O ATOM 236 CB ARG A 15 -5.566 9.310 -1.691 1.00 0.00 C ATOM 237 CG ARG A 15 -6.582 9.930 -0.743 1.00 0.00 C ATOM 238 CD ARG A 15 -6.059 9.909 0.687 1.00 0.00 C ATOM 239 NE ARG A 15 -6.987 10.520 1.631 1.00 0.00 N ATOM 240 CZ ARG A 15 -6.992 10.253 2.935 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.141 9.363 3.440 1.00 0.00 N ATOM 242 NH2 ARG A 15 -7.859 10.865 3.734 1.00 0.00 N ATOM 0 H ARG A 15 -4.314 10.170 -3.599 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.169 8.025 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.257 8.347 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.681 9.946 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.791 10.956 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.523 9.383 -0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.869 8.878 0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.105 10.434 0.729 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.669 11.188 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.482 8.883 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.148 9.161 4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.520 11.539 3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.863 10.661 4.733 1.00 0.00 H new ATOM 256 N THR A 16 -7.414 11.017 -3.712 1.00 0.00 N ATOM 257 CA THR A 16 -8.638 11.711 -4.079 1.00 0.00 C ATOM 258 C THR A 16 -9.195 11.187 -5.403 1.00 0.00 C ATOM 259 O THR A 16 -10.386 10.889 -5.512 1.00 0.00 O ATOM 260 CB THR A 16 -8.394 13.230 -4.179 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.396 13.809 -2.866 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.436 13.912 -5.055 1.00 0.00 C ATOM 0 H THR A 16 -6.581 11.605 -3.712 1.00 0.00 H new ATOM 0 HA THR A 16 -9.372 11.520 -3.296 1.00 0.00 H new ATOM 0 HB THR A 16 -7.421 13.384 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.487 13.793 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.230 14.981 -5.100 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.398 13.492 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.428 13.752 -4.632 1.00 0.00 H new ATOM 270 N GLU A 17 -8.326 11.064 -6.402 1.00 0.00 N ATOM 271 CA GLU A 17 -8.749 10.611 -7.725 1.00 0.00 C ATOM 272 C GLU A 17 -9.290 9.180 -7.660 1.00 0.00 C ATOM 273 O GLU A 17 -10.238 8.837 -8.364 1.00 0.00 O ATOM 274 CB GLU A 17 -7.598 10.714 -8.739 1.00 0.00 C ATOM 275 CG GLU A 17 -6.733 11.951 -8.546 1.00 0.00 C ATOM 276 CD GLU A 17 -5.614 12.069 -9.562 1.00 0.00 C ATOM 277 OE1 GLU A 17 -5.448 13.163 -10.145 1.00 0.00 O ATOM 278 OE2 GLU A 17 -4.893 11.077 -9.780 1.00 0.00 O ATOM 0 H GLU A 17 -7.330 11.270 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.553 11.265 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.972 9.825 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.011 10.722 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.363 12.838 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.304 11.932 -7.544 1.00 0.00 H new ATOM 285 N CYS A 18 -8.711 8.352 -6.794 1.00 0.00 N ATOM 286 CA CYS A 18 -9.225 7.002 -6.577 1.00 0.00 C ATOM 287 C CYS A 18 -10.565 7.054 -5.857 1.00 0.00 C ATOM 288 O CYS A 18 -11.452 6.243 -6.119 1.00 0.00 O ATOM 289 CB CYS A 18 -8.241 6.140 -5.786 1.00 0.00 C ATOM 290 SG CYS A 18 -6.746 5.677 -6.714 1.00 0.00 S ATOM 0 H CYS A 18 -7.892 8.589 -6.235 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.359 6.543 -7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.945 6.679 -4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.750 5.232 -5.461 1.00 0.00 H new ATOM 295 N VAL A 19 -10.718 8.027 -4.966 1.00 0.00 N ATOM 296 CA VAL A 19 -11.963 8.213 -4.242 1.00 0.00 C ATOM 297 C VAL A 19 -13.081 8.604 -5.199 1.00 0.00 C ATOM 298 O VAL A 19 -14.151 7.990 -5.213 1.00 0.00 O ATOM 299 CB VAL A 19 -11.818 9.278 -3.128 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.163 9.892 -2.773 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.178 8.663 -1.895 1.00 0.00 C ATOM 0 H VAL A 19 -9.990 8.701 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.215 7.264 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.175 10.074 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.028 10.636 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.589 10.369 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.838 9.112 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.081 9.422 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.802 7.847 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.191 8.278 -2.151 1.00 0.00 H new ATOM 311 N SER A 20 -12.807 9.609 -6.010 1.00 0.00 N ATOM 312 CA SER A 20 -13.772 10.118 -6.969 1.00 0.00 C ATOM 313 C SER A 20 -14.096 9.072 -8.048 1.00 0.00 C ATOM 314 O SER A 20 -15.197 9.057 -8.593 1.00 0.00 O ATOM 315 CB SER A 20 -13.216 11.397 -7.601 1.00 0.00 C ATOM 316 OG SER A 20 -14.199 12.081 -8.360 1.00 0.00 O ATOM 0 H SER A 20 -11.911 10.095 -6.023 1.00 0.00 H new ATOM 0 HA SER A 20 -14.704 10.341 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.839 12.055 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.371 11.148 -8.242 1.00 0.00 H new ATOM 0 HG SER A 20 -13.808 12.892 -8.746 1.00 0.00 H new ATOM 322 N SER A 21 -13.139 8.194 -8.340 1.00 0.00 N ATOM 323 CA SER A 21 -13.315 7.182 -9.375 1.00 0.00 C ATOM 324 C SER A 21 -14.058 5.956 -8.840 1.00 0.00 C ATOM 325 O SER A 21 -15.041 5.510 -9.431 1.00 0.00 O ATOM 326 CB SER A 21 -11.948 6.772 -9.930 1.00 0.00 C ATOM 327 OG SER A 21 -12.060 5.729 -10.883 1.00 0.00 O ATOM 0 H SER A 21 -12.233 8.164 -7.873 1.00 0.00 H new ATOM 0 HA SER A 21 -13.920 7.612 -10.174 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.468 7.636 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.305 6.449 -9.111 1.00 0.00 H new ATOM 0 HG SER A 21 -11.169 5.494 -11.217 1.00 0.00 H new ATOM 333 N LEU A 22 -13.602 5.426 -7.708 1.00 0.00 N ATOM 334 CA LEU A 22 -14.171 4.199 -7.161 1.00 0.00 C ATOM 335 C LEU A 22 -15.454 4.465 -6.378 1.00 0.00 C ATOM 336 O LEU A 22 -15.958 3.580 -5.691 1.00 0.00 O ATOM 337 CB LEU A 22 -13.151 3.499 -6.264 1.00 0.00 C ATOM 338 CG LEU A 22 -11.948 2.916 -6.995 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.892 2.480 -6.000 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.370 1.743 -7.853 1.00 0.00 C ATOM 0 H LEU A 22 -12.844 5.825 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.423 3.553 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.795 4.211 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.654 2.697 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.527 3.687 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.038 2.065 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.570 3.339 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.308 1.722 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.499 1.338 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.810 0.971 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.105 2.075 -8.587 1.00 0.00 H new ATOM 352 N ASN A 23 -15.969 5.693 -6.488 1.00 0.00 N ATOM 353 CA ASN A 23 -17.206 6.097 -5.808 1.00 0.00 C ATOM 354 C ASN A 23 -17.116 5.866 -4.301 1.00 0.00 C ATOM 355 O ASN A 23 -18.104 5.518 -3.654 1.00 0.00 O ATOM 356 CB ASN A 23 -18.409 5.344 -6.380 1.00 0.00 C ATOM 357 CG ASN A 23 -18.620 5.612 -7.858 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.061 4.923 -8.711 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.430 6.608 -8.173 1.00 0.00 N ATOM 0 H ASN A 23 -15.544 6.432 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.340 7.165 -5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.269 4.274 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.306 5.631 -5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.610 6.828 -9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.875 7.156 -7.437 1.00 0.00 H new ATOM 366 N ILE A 24 -15.920 6.056 -3.754 1.00 0.00 N ATOM 367 CA ILE A 24 -15.680 5.878 -2.333 1.00 0.00 C ATOM 368 C ILE A 24 -16.472 6.899 -1.518 1.00 0.00 C ATOM 369 O ILE A 24 -16.317 8.107 -1.705 1.00 0.00 O ATOM 370 CB ILE A 24 -14.179 6.023 -2.004 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.332 5.110 -2.907 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.923 5.709 -0.537 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.611 3.630 -2.738 1.00 0.00 C ATOM 0 H ILE A 24 -15.095 6.337 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.008 4.873 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.886 7.056 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.508 5.384 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.277 5.294 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.860 5.816 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.491 6.399 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.235 4.687 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.971 3.060 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.407 3.337 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.656 3.428 -2.972 1.00 0.00 H new ATOM 385 N PRO A 25 -17.345 6.416 -0.619 1.00 0.00 N ATOM 386 CA PRO A 25 -18.143 7.274 0.260 1.00 0.00 C ATOM 387 C PRO A 25 -17.270 8.172 1.130 1.00 0.00 C ATOM 388 O PRO A 25 -16.206 7.768 1.609 1.00 0.00 O ATOM 389 CB PRO A 25 -18.924 6.287 1.128 1.00 0.00 C ATOM 390 CG PRO A 25 -18.902 5.002 0.386 1.00 0.00 C ATOM 391 CD PRO A 25 -17.615 4.991 -0.388 1.00 0.00 C ATOM 0 HA PRO A 25 -18.782 7.951 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.465 6.180 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.946 6.630 1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.952 4.155 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.760 4.923 -0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.812 4.516 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.714 4.444 -1.325 1.00 0.00 H new ATOM 399 N ALA A 26 -17.749 9.395 1.327 1.00 0.00 N ATOM 400 CA ALA A 26 -17.014 10.427 2.047 1.00 0.00 C ATOM 401 C ALA A 26 -16.662 10.004 3.469 1.00 0.00 C ATOM 402 O ALA A 26 -15.650 10.445 4.011 1.00 0.00 O ATOM 403 CB ALA A 26 -17.829 11.704 2.075 1.00 0.00 C ATOM 0 H ALA A 26 -18.662 9.699 0.990 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.075 10.592 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.278 12.475 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.017 12.038 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.779 11.519 2.577 1.00 0.00 H new ATOM 409 N ASP A 27 -17.500 9.165 4.073 1.00 0.00 N ATOM 410 CA ASP A 27 -17.241 8.675 5.429 1.00 0.00 C ATOM 411 C ASP A 27 -15.948 7.853 5.469 1.00 0.00 C ATOM 412 O ASP A 27 -15.145 7.997 6.392 1.00 0.00 O ATOM 413 CB ASP A 27 -18.419 7.852 5.969 1.00 0.00 C ATOM 414 CG ASP A 27 -18.496 6.453 5.397 1.00 0.00 C ATOM 415 OD1 ASP A 27 -18.092 5.498 6.095 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.964 6.302 4.251 1.00 0.00 O ATOM 0 H ASP A 27 -18.358 8.811 3.651 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.122 9.545 6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.339 7.787 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.349 8.377 5.749 1.00 0.00 H new ATOM 421 N TYR A 28 -15.740 7.005 4.458 1.00 0.00 N ATOM 422 CA TYR A 28 -14.505 6.243 4.346 1.00 0.00 C ATOM 423 C TYR A 28 -13.305 7.163 4.200 1.00 0.00 C ATOM 424 O TYR A 28 -12.247 6.905 4.762 1.00 0.00 O ATOM 425 CB TYR A 28 -14.572 5.282 3.161 1.00 0.00 C ATOM 426 CG TYR A 28 -15.346 4.023 3.463 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.721 3.980 3.296 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.701 2.877 3.914 1.00 0.00 C ATOM 429 CE1 TYR A 28 -17.435 2.832 3.569 1.00 0.00 C ATOM 430 CE2 TYR A 28 -15.410 1.725 4.191 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.776 1.708 4.016 1.00 0.00 C ATOM 432 OH TYR A 28 -17.486 0.563 4.286 1.00 0.00 O ATOM 0 H TYR A 28 -16.412 6.833 3.710 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.387 5.666 5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -15.033 5.790 2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.559 5.015 2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -17.242 4.859 2.947 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.630 2.888 4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.506 2.814 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.896 0.842 4.543 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.873 -0.138 4.591 1.00 0.00 H new ATOM 442 N VAL A 29 -13.484 8.241 3.448 1.00 0.00 N ATOM 443 CA VAL A 29 -12.422 9.208 3.222 1.00 0.00 C ATOM 444 C VAL A 29 -11.951 9.824 4.543 1.00 0.00 C ATOM 445 O VAL A 29 -10.749 9.993 4.767 1.00 0.00 O ATOM 446 CB VAL A 29 -12.880 10.313 2.261 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.746 11.283 1.982 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.391 9.701 0.971 1.00 0.00 C ATOM 0 H VAL A 29 -14.362 8.467 2.982 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.585 8.678 2.768 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.692 10.869 2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.091 12.059 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.421 11.741 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.911 10.747 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.714 10.493 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.594 9.125 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.233 9.044 1.189 1.00 0.00 H new ATOM 458 N GLU A 30 -12.902 10.142 5.420 1.00 0.00 N ATOM 459 CA GLU A 30 -12.579 10.664 6.747 1.00 0.00 C ATOM 460 C GLU A 30 -11.802 9.628 7.551 1.00 0.00 C ATOM 461 O GLU A 30 -10.913 9.972 8.332 1.00 0.00 O ATOM 462 CB GLU A 30 -13.835 11.052 7.517 1.00 0.00 C ATOM 463 CG GLU A 30 -14.847 11.807 6.682 1.00 0.00 C ATOM 464 CD GLU A 30 -16.016 12.300 7.507 1.00 0.00 C ATOM 465 OE1 GLU A 30 -17.115 11.717 7.407 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.837 13.270 8.274 1.00 0.00 O ATOM 0 H GLU A 30 -13.901 10.048 5.236 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.968 11.556 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.302 10.150 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.552 11.665 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.359 12.656 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.214 11.159 5.886 1.00 0.00 H new ATOM 473 N LYS A 31 -12.144 8.361 7.359 1.00 0.00 N ATOM 474 CA LYS A 31 -11.438 7.273 8.025 1.00 0.00 C ATOM 475 C LYS A 31 -9.982 7.238 7.581 1.00 0.00 C ATOM 476 O LYS A 31 -9.074 7.223 8.410 1.00 0.00 O ATOM 477 CB LYS A 31 -12.096 5.923 7.742 1.00 0.00 C ATOM 478 CG LYS A 31 -13.527 5.828 8.242 1.00 0.00 C ATOM 479 CD LYS A 31 -14.082 4.417 8.087 1.00 0.00 C ATOM 480 CE LYS A 31 -15.578 4.369 8.383 1.00 0.00 C ATOM 481 NZ LYS A 31 -16.118 2.983 8.330 1.00 0.00 N ATOM 0 H LYS A 31 -12.904 8.061 6.749 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.486 7.457 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.082 5.740 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.504 5.135 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.567 6.122 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.153 6.529 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.899 4.062 7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.555 3.741 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.765 4.792 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.109 4.992 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.137 2.999 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.964 2.587 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.631 2.393 9.035 1.00 0.00 H new ATOM 495 N PHE A 32 -9.770 7.261 6.269 1.00 0.00 N ATOM 496 CA PHE A 32 -8.430 7.211 5.696 1.00 0.00 C ATOM 497 C PHE A 32 -7.586 8.400 6.157 1.00 0.00 C ATOM 498 O PHE A 32 -6.359 8.340 6.157 1.00 0.00 O ATOM 499 CB PHE A 32 -8.495 7.188 4.164 1.00 0.00 C ATOM 500 CG PHE A 32 -9.369 6.103 3.603 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.172 6.344 2.500 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.392 4.845 4.180 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.980 5.350 1.984 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.197 3.849 3.668 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.992 4.100 2.569 1.00 0.00 C ATOM 0 H PHE A 32 -10.517 7.314 5.577 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.958 6.293 6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.861 8.153 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.486 7.067 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.166 7.320 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.773 4.641 5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.602 5.551 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.205 2.872 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.622 3.320 2.167 1.00 0.00 H new ATOM 515 N LYS A 33 -8.245 9.484 6.555 1.00 0.00 N ATOM 516 CA LYS A 33 -7.545 10.669 7.025 1.00 0.00 C ATOM 517 C LYS A 33 -6.884 10.397 8.373 1.00 0.00 C ATOM 518 O LYS A 33 -5.860 10.988 8.703 1.00 0.00 O ATOM 519 CB LYS A 33 -8.503 11.853 7.139 1.00 0.00 C ATOM 520 CG LYS A 33 -7.781 13.189 7.148 1.00 0.00 C ATOM 521 CD LYS A 33 -8.754 14.356 7.158 1.00 0.00 C ATOM 522 CE LYS A 33 -8.026 15.693 7.147 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.235 15.891 5.905 1.00 0.00 N ATOM 0 H LYS A 33 -9.262 9.564 6.560 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.772 10.918 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.205 11.829 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.089 11.755 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.135 13.247 8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.137 13.260 6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.410 14.291 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.388 14.294 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.751 16.501 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.364 15.751 8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.925 16.882 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.403 15.268 5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.823 15.662 5.079 1.00 0.00 H new ATOM 537 N LYS A 34 -7.470 9.494 9.147 1.00 0.00 N ATOM 538 CA LYS A 34 -6.903 9.122 10.436 1.00 0.00 C ATOM 539 C LYS A 34 -6.233 7.752 10.359 1.00 0.00 C ATOM 540 O LYS A 34 -6.129 7.045 11.363 1.00 0.00 O ATOM 541 CB LYS A 34 -7.981 9.129 11.528 1.00 0.00 C ATOM 542 CG LYS A 34 -8.485 10.523 11.886 1.00 0.00 C ATOM 543 CD LYS A 34 -7.348 11.474 12.240 1.00 0.00 C ATOM 544 CE LYS A 34 -6.533 10.979 13.426 1.00 0.00 C ATOM 545 NZ LYS A 34 -7.314 10.985 14.693 1.00 0.00 N ATOM 0 H LYS A 34 -8.334 9.007 8.907 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.145 9.861 10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.824 8.522 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.580 8.656 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.049 10.930 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.173 10.453 12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.694 11.593 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.757 12.458 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.181 9.967 13.224 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.650 11.607 13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.697 10.705 15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.686 11.940 14.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.105 10.314 14.616 1.00 0.00 H new ATOM 559 N TRP A 35 -5.764 7.404 9.160 1.00 0.00 N ATOM 560 CA TRP A 35 -5.136 6.109 8.896 1.00 0.00 C ATOM 561 C TRP A 35 -5.993 4.945 9.395 1.00 0.00 C ATOM 562 O TRP A 35 -5.497 4.020 10.041 1.00 0.00 O ATOM 563 CB TRP A 35 -3.741 6.062 9.520 1.00 0.00 C ATOM 564 CG TRP A 35 -2.786 7.033 8.894 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.659 8.357 9.194 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.830 6.761 7.860 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.680 8.925 8.418 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.158 7.967 7.590 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.475 5.617 7.138 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.154 8.062 6.631 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.479 5.713 6.186 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.173 6.927 5.939 1.00 0.00 C ATOM 0 H TRP A 35 -5.809 8.013 8.343 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.045 5.999 7.815 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.819 6.274 10.586 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.340 5.053 9.424 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.244 8.882 9.935 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.388 9.902 8.452 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.971 4.675 7.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.349 8.998 6.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.198 4.836 5.622 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.948 6.969 5.188 1.00 0.00 H new ATOM 583 N GLU A 36 -7.278 5.003 9.091 1.00 0.00 N ATOM 584 CA GLU A 36 -8.205 3.951 9.455 1.00 0.00 C ATOM 585 C GLU A 36 -8.708 3.255 8.201 1.00 0.00 C ATOM 586 O GLU A 36 -9.465 3.828 7.420 1.00 0.00 O ATOM 587 CB GLU A 36 -9.373 4.532 10.237 1.00 0.00 C ATOM 588 CG GLU A 36 -10.284 3.481 10.844 1.00 0.00 C ATOM 589 CD GLU A 36 -9.569 2.619 11.861 1.00 0.00 C ATOM 590 OE1 GLU A 36 -9.440 3.048 13.026 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.128 1.509 11.500 1.00 0.00 O ATOM 0 H GLU A 36 -7.705 5.780 8.586 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.692 3.224 10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.985 5.168 11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.959 5.171 9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.134 3.971 11.320 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.683 2.848 10.051 1.00 0.00 H new ATOM 598 N PHE A 37 -8.269 2.026 8.012 1.00 0.00 N ATOM 599 CA PHE A 37 -8.611 1.267 6.818 1.00 0.00 C ATOM 600 C PHE A 37 -9.478 0.066 7.175 1.00 0.00 C ATOM 601 O PHE A 37 -8.961 -0.962 7.623 1.00 0.00 O ATOM 602 CB PHE A 37 -7.330 0.801 6.112 1.00 0.00 C ATOM 603 CG PHE A 37 -6.383 1.925 5.803 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.470 2.354 6.753 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.409 2.558 4.571 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.603 3.395 6.480 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.544 3.598 4.294 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.641 4.018 5.250 1.00 0.00 C ATOM 0 H PHE A 37 -7.672 1.527 8.671 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.177 1.912 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.822 0.069 6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.598 0.294 5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.436 1.869 7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.113 2.235 3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.896 3.720 7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.574 4.083 3.329 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.966 4.833 5.035 1.00 0.00 H new ATOM 618 N PRO A 38 -10.807 0.183 7.028 1.00 0.00 N ATOM 619 CA PRO A 38 -11.726 -0.935 7.256 1.00 0.00 C ATOM 620 C PRO A 38 -11.445 -2.116 6.339 1.00 0.00 C ATOM 621 O PRO A 38 -11.129 -1.953 5.159 1.00 0.00 O ATOM 622 CB PRO A 38 -13.103 -0.349 6.950 1.00 0.00 C ATOM 623 CG PRO A 38 -12.932 1.116 7.124 1.00 0.00 C ATOM 624 CD PRO A 38 -11.536 1.408 6.649 1.00 0.00 C ATOM 0 HA PRO A 38 -11.631 -1.326 8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.422 -0.594 5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.861 -0.743 7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.670 1.670 6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.062 1.407 8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.502 1.584 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.120 2.293 7.131 1.00 0.00 H new ATOM 632 N GLU A 39 -11.560 -3.302 6.895 1.00 0.00 N ATOM 633 CA GLU A 39 -11.356 -4.518 6.142 1.00 0.00 C ATOM 634 C GLU A 39 -12.626 -4.862 5.373 1.00 0.00 C ATOM 635 O GLU A 39 -13.433 -5.689 5.799 1.00 0.00 O ATOM 636 CB GLU A 39 -10.944 -5.646 7.084 1.00 0.00 C ATOM 637 CG GLU A 39 -10.570 -6.938 6.382 1.00 0.00 C ATOM 638 CD GLU A 39 -9.864 -7.903 7.304 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.547 -8.715 7.958 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.620 -7.850 7.377 1.00 0.00 O ATOM 0 H GLU A 39 -11.796 -3.450 7.876 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.552 -4.378 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.096 -5.313 7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.764 -5.845 7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.470 -7.408 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.927 -6.714 5.531 1.00 0.00 H new ATOM 647 N ASP A 40 -12.800 -4.193 4.244 1.00 0.00 N ATOM 648 CA ASP A 40 -13.996 -4.352 3.427 1.00 0.00 C ATOM 649 C ASP A 40 -13.679 -4.049 1.963 1.00 0.00 C ATOM 650 O ASP A 40 -12.671 -3.402 1.677 1.00 0.00 O ATOM 651 CB ASP A 40 -15.122 -3.434 3.930 1.00 0.00 C ATOM 652 CG ASP A 40 -15.263 -2.158 3.117 1.00 0.00 C ATOM 653 OD1 ASP A 40 -14.420 -1.248 3.262 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.231 -2.069 2.324 1.00 0.00 O ATOM 0 H ASP A 40 -12.123 -3.529 3.869 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.334 -5.385 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.065 -3.979 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.932 -3.174 4.971 1.00 0.00 H new ATOM 659 N ASP A 41 -14.527 -4.517 1.050 1.00 0.00 N ATOM 660 CA ASP A 41 -14.285 -4.374 -0.396 1.00 0.00 C ATOM 661 C ASP A 41 -13.933 -2.941 -0.790 1.00 0.00 C ATOM 662 O ASP A 41 -12.995 -2.717 -1.564 1.00 0.00 O ATOM 663 CB ASP A 41 -15.509 -4.825 -1.198 1.00 0.00 C ATOM 664 CG ASP A 41 -15.804 -6.299 -1.029 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.472 -6.667 -0.042 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.369 -7.097 -1.885 1.00 0.00 O ATOM 0 H ASP A 41 -15.394 -5.002 1.281 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.431 -5.011 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.378 -4.246 -0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.346 -4.609 -2.254 1.00 0.00 H new ATOM 671 N THR A 42 -14.678 -1.985 -0.245 1.00 0.00 N ATOM 672 CA THR A 42 -14.509 -0.574 -0.571 1.00 0.00 C ATOM 673 C THR A 42 -13.054 -0.132 -0.402 1.00 0.00 C ATOM 674 O THR A 42 -12.398 0.287 -1.361 1.00 0.00 O ATOM 675 CB THR A 42 -15.396 0.287 0.344 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.691 -0.314 0.486 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.538 1.690 -0.208 1.00 0.00 C ATOM 0 H THR A 42 -15.416 -2.167 0.435 1.00 0.00 H new ATOM 0 HA THR A 42 -14.799 -0.440 -1.613 1.00 0.00 H new ATOM 0 HB THR A 42 -14.919 0.346 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.758 -0.742 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.170 2.280 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.554 2.154 -0.280 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.993 1.647 -1.198 1.00 0.00 H new ATOM 685 N THR A 43 -12.564 -0.253 0.821 1.00 0.00 N ATOM 686 CA THR A 43 -11.208 0.137 1.166 1.00 0.00 C ATOM 687 C THR A 43 -10.172 -0.668 0.375 1.00 0.00 C ATOM 688 O THR A 43 -9.112 -0.152 0.016 1.00 0.00 O ATOM 689 CB THR A 43 -10.967 -0.060 2.671 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.974 0.646 3.420 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.586 0.441 3.072 1.00 0.00 C ATOM 0 H THR A 43 -13.099 -0.626 1.605 1.00 0.00 H new ATOM 0 HA THR A 43 -11.093 1.190 0.909 1.00 0.00 H new ATOM 0 HB THR A 43 -11.024 -1.126 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.792 0.108 3.456 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.441 0.290 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.825 -0.111 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.503 1.503 2.841 1.00 0.00 H new ATOM 699 N MET A 44 -10.494 -1.922 0.084 1.00 0.00 N ATOM 700 CA MET A 44 -9.558 -2.813 -0.589 1.00 0.00 C ATOM 701 C MET A 44 -9.274 -2.352 -2.016 1.00 0.00 C ATOM 702 O MET A 44 -8.115 -2.209 -2.408 1.00 0.00 O ATOM 703 CB MET A 44 -10.090 -4.246 -0.590 1.00 0.00 C ATOM 704 CG MET A 44 -10.220 -4.834 0.803 1.00 0.00 C ATOM 705 SD MET A 44 -10.925 -6.488 0.805 1.00 0.00 S ATOM 706 CE MET A 44 -10.976 -6.810 2.566 1.00 0.00 C ATOM 0 H MET A 44 -11.396 -2.345 0.303 1.00 0.00 H new ATOM 0 HA MET A 44 -8.619 -2.785 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.064 -4.265 -1.078 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.424 -4.874 -1.182 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.236 -4.864 1.272 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.843 -4.179 1.411 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.829 -7.875 2.746 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.186 -6.246 3.062 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.944 -6.506 2.964 1.00 0.00 H new ATOM 716 N CYS A 45 -10.327 -2.108 -2.790 1.00 0.00 N ATOM 717 CA CYS A 45 -10.157 -1.634 -4.162 1.00 0.00 C ATOM 718 C CYS A 45 -9.543 -0.241 -4.169 1.00 0.00 C ATOM 719 O CYS A 45 -8.810 0.120 -5.091 1.00 0.00 O ATOM 720 CB CYS A 45 -11.488 -1.630 -4.921 1.00 0.00 C ATOM 721 SG CYS A 45 -12.224 -3.285 -5.153 1.00 0.00 S ATOM 0 H CYS A 45 -11.296 -2.228 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.482 -2.322 -4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.198 -1.001 -4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.334 -1.173 -5.899 1.00 0.00 H new ATOM 726 N TYR A 46 -9.837 0.529 -3.127 1.00 0.00 N ATOM 727 CA TYR A 46 -9.266 1.854 -2.964 1.00 0.00 C ATOM 728 C TYR A 46 -7.747 1.778 -2.883 1.00 0.00 C ATOM 729 O TYR A 46 -7.043 2.477 -3.613 1.00 0.00 O ATOM 730 CB TYR A 46 -9.850 2.512 -1.713 1.00 0.00 C ATOM 731 CG TYR A 46 -9.066 3.707 -1.220 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.392 3.661 -0.005 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.999 4.878 -1.964 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.678 4.748 0.454 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.283 5.967 -1.510 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.629 5.897 -0.302 1.00 0.00 C ATOM 737 OH TYR A 46 -6.925 6.982 0.147 1.00 0.00 O ATOM 0 H TYR A 46 -10.473 0.252 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.520 2.463 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.873 2.824 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.901 1.770 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.428 2.760 0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.515 4.937 -2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.161 4.698 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.236 6.870 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.877 6.959 1.126 1.00 0.00 H new ATOM 747 N ILE A 47 -7.254 0.909 -2.011 1.00 0.00 N ATOM 748 CA ILE A 47 -5.824 0.718 -1.839 1.00 0.00 C ATOM 749 C ILE A 47 -5.171 0.270 -3.143 1.00 0.00 C ATOM 750 O ILE A 47 -4.076 0.719 -3.481 1.00 0.00 O ATOM 751 CB ILE A 47 -5.525 -0.315 -0.728 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.956 0.227 0.645 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.049 -0.700 -0.719 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.290 1.535 1.033 1.00 0.00 C ATOM 0 H ILE A 47 -7.830 0.322 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.404 1.680 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.103 -1.214 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.037 0.368 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.733 -0.521 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.868 -1.428 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.781 -1.136 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.442 0.188 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.648 1.849 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.209 1.397 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.534 2.300 0.296 1.00 0.00 H new ATOM 766 N LYS A 48 -5.860 -0.592 -3.883 1.00 0.00 N ATOM 767 CA LYS A 48 -5.318 -1.120 -5.124 1.00 0.00 C ATOM 768 C LYS A 48 -5.107 0.007 -6.130 1.00 0.00 C ATOM 769 O LYS A 48 -4.038 0.129 -6.721 1.00 0.00 O ATOM 770 CB LYS A 48 -6.246 -2.177 -5.722 1.00 0.00 C ATOM 771 CG LYS A 48 -5.547 -3.090 -6.718 1.00 0.00 C ATOM 772 CD LYS A 48 -6.406 -3.393 -7.932 1.00 0.00 C ATOM 773 CE LYS A 48 -6.513 -2.194 -8.858 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.202 -2.542 -10.126 1.00 0.00 N ATOM 0 H LYS A 48 -6.790 -0.937 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.359 -1.588 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.666 -2.781 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.081 -1.681 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.617 -2.624 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.280 -4.024 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.982 -4.237 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.403 -3.692 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.056 -1.393 -8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.516 -1.813 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.514 -1.671 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.547 -3.060 -10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.028 -3.139 -9.920 1.00 0.00 H new ATOM 788 N CYS A 49 -6.142 0.825 -6.310 1.00 0.00 N ATOM 789 CA CYS A 49 -6.089 1.964 -7.224 1.00 0.00 C ATOM 790 C CYS A 49 -4.934 2.903 -6.877 1.00 0.00 C ATOM 791 O CYS A 49 -4.150 3.285 -7.745 1.00 0.00 O ATOM 792 CB CYS A 49 -7.420 2.724 -7.189 1.00 0.00 C ATOM 793 SG CYS A 49 -7.412 4.321 -8.078 1.00 0.00 S ATOM 0 H CYS A 49 -7.036 0.718 -5.830 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.918 1.584 -8.231 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.196 2.090 -7.617 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.693 2.904 -6.149 1.00 0.00 H new ATOM 798 N VAL A 50 -4.825 3.249 -5.597 1.00 0.00 N ATOM 799 CA VAL A 50 -3.815 4.185 -5.132 1.00 0.00 C ATOM 800 C VAL A 50 -2.413 3.645 -5.375 1.00 0.00 C ATOM 801 O VAL A 50 -1.542 4.339 -5.908 1.00 0.00 O ATOM 802 CB VAL A 50 -4.001 4.485 -3.632 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.894 5.381 -3.110 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.353 5.121 -3.393 1.00 0.00 C ATOM 0 H VAL A 50 -5.432 2.889 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.936 5.108 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.951 3.542 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.053 5.575 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.931 4.889 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.901 6.324 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.474 5.329 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.421 6.052 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.138 4.440 -3.722 1.00 0.00 H new ATOM 814 N PHE A 51 -2.215 2.391 -5.007 1.00 0.00 N ATOM 815 CA PHE A 51 -0.923 1.746 -5.133 1.00 0.00 C ATOM 816 C PHE A 51 -0.555 1.548 -6.602 1.00 0.00 C ATOM 817 O PHE A 51 0.619 1.548 -6.970 1.00 0.00 O ATOM 818 CB PHE A 51 -0.949 0.404 -4.396 1.00 0.00 C ATOM 819 CG PHE A 51 -0.640 0.502 -2.928 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.003 -0.541 -2.274 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.990 1.628 -2.199 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.278 -0.462 -0.924 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.711 1.712 -0.849 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.077 0.665 -0.211 1.00 0.00 C ATOM 0 H PHE A 51 -2.943 1.795 -4.614 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.163 2.385 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.934 -0.047 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.230 -0.269 -4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.277 -1.426 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.487 2.450 -2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.775 -1.282 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.988 2.596 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.141 0.728 0.845 1.00 0.00 H new ATOM 834 N ASN A 52 -1.576 1.414 -7.438 1.00 0.00 N ATOM 835 CA ASN A 52 -1.384 1.165 -8.863 1.00 0.00 C ATOM 836 C ASN A 52 -0.994 2.454 -9.577 1.00 0.00 C ATOM 837 O ASN A 52 -0.137 2.456 -10.463 1.00 0.00 O ATOM 838 CB ASN A 52 -2.669 0.583 -9.469 1.00 0.00 C ATOM 839 CG ASN A 52 -2.514 0.144 -10.918 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.452 0.249 -11.707 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.348 -0.382 -11.275 1.00 0.00 N ATOM 0 H ASN A 52 -2.553 1.474 -7.152 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.577 0.444 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.988 -0.271 -8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.461 1.330 -9.407 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.209 -0.714 -12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.591 -0.454 -10.595 1.00 0.00 H new ATOM 848 N LYS A 53 -1.607 3.553 -9.158 1.00 0.00 N ATOM 849 CA LYS A 53 -1.348 4.861 -9.747 1.00 0.00 C ATOM 850 C LYS A 53 0.034 5.370 -9.357 1.00 0.00 C ATOM 851 O LYS A 53 0.666 6.116 -10.102 1.00 0.00 O ATOM 852 CB LYS A 53 -2.430 5.850 -9.304 1.00 0.00 C ATOM 853 CG LYS A 53 -3.735 5.714 -10.077 1.00 0.00 C ATOM 854 CD LYS A 53 -4.874 6.444 -9.386 1.00 0.00 C ATOM 855 CE LYS A 53 -4.628 7.941 -9.290 1.00 0.00 C ATOM 856 NZ LYS A 53 -4.606 8.593 -10.624 1.00 0.00 N ATOM 0 H LYS A 53 -2.294 3.564 -8.404 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.374 4.767 -10.833 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.630 5.705 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.052 6.866 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.605 6.111 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.988 4.659 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.801 6.265 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.009 6.036 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.406 8.397 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.679 8.120 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.725 9.620 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.697 8.399 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.381 8.217 -11.207 1.00 0.00 H new ATOM 870 N MET A 54 0.503 4.951 -8.189 1.00 0.00 N ATOM 871 CA MET A 54 1.832 5.326 -7.720 1.00 0.00 C ATOM 872 C MET A 54 2.912 4.414 -8.292 1.00 0.00 C ATOM 873 O MET A 54 4.086 4.543 -7.942 1.00 0.00 O ATOM 874 CB MET A 54 1.893 5.291 -6.195 1.00 0.00 C ATOM 875 CG MET A 54 1.237 6.483 -5.529 1.00 0.00 C ATOM 876 SD MET A 54 1.490 6.503 -3.744 1.00 0.00 S ATOM 877 CE MET A 54 0.879 4.882 -3.300 1.00 0.00 C ATOM 0 H MET A 54 -0.017 4.351 -7.548 1.00 0.00 H new ATOM 0 HA MET A 54 2.021 6.341 -8.069 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.411 4.379 -5.842 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.936 5.241 -5.884 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.637 7.401 -5.960 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.168 6.471 -5.741 1.00 0.00 H new ATOM 0 HE1 MET A 54 0.405 4.928 -2.319 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.150 4.553 -4.040 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.709 4.176 -3.269 1.00 0.00 H new ATOM 887 N GLN A 55 2.505 3.498 -9.175 1.00 0.00 N ATOM 888 CA GLN A 55 3.413 2.517 -9.768 1.00 0.00 C ATOM 889 C GLN A 55 4.106 1.671 -8.702 1.00 0.00 C ATOM 890 O GLN A 55 5.234 1.213 -8.882 1.00 0.00 O ATOM 891 CB GLN A 55 4.439 3.210 -10.661 1.00 0.00 C ATOM 892 CG GLN A 55 3.853 3.667 -11.978 1.00 0.00 C ATOM 893 CD GLN A 55 4.861 4.384 -12.853 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.794 5.023 -12.363 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.670 4.295 -14.156 1.00 0.00 N ATOM 0 H GLN A 55 1.540 3.417 -9.497 1.00 0.00 H new ATOM 0 HA GLN A 55 2.816 1.842 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.851 4.070 -10.134 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.267 2.527 -10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.462 2.803 -12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.010 4.330 -11.784 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.885 3.756 -14.521 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.308 4.766 -14.798 1.00 0.00 H new ATOM 904 N LEU A 56 3.406 1.453 -7.602 1.00 0.00 N ATOM 905 CA LEU A 56 3.955 0.721 -6.474 1.00 0.00 C ATOM 906 C LEU A 56 3.382 -0.690 -6.440 1.00 0.00 C ATOM 907 O LEU A 56 3.936 -1.599 -5.819 1.00 0.00 O ATOM 908 CB LEU A 56 3.657 1.485 -5.175 1.00 0.00 C ATOM 909 CG LEU A 56 4.805 2.365 -4.674 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.392 3.147 -3.435 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.037 1.531 -4.378 1.00 0.00 C ATOM 0 H LEU A 56 2.448 1.776 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 56 5.037 0.635 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.778 2.111 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.402 0.766 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 56 5.048 3.074 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.226 3.764 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.541 3.785 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.113 2.452 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.839 2.179 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.801 0.793 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.358 1.021 -5.286 1.00 0.00 H new ATOM 923 N PHE A 57 2.269 -0.854 -7.140 1.00 0.00 N ATOM 924 CA PHE A 57 1.616 -2.141 -7.287 1.00 0.00 C ATOM 925 C PHE A 57 1.026 -2.233 -8.686 1.00 0.00 C ATOM 926 O PHE A 57 0.310 -1.335 -9.128 1.00 0.00 O ATOM 927 CB PHE A 57 0.518 -2.318 -6.224 1.00 0.00 C ATOM 928 CG PHE A 57 -0.294 -3.578 -6.366 1.00 0.00 C ATOM 929 CD1 PHE A 57 0.119 -4.757 -5.767 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.479 -3.579 -7.089 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.630 -5.911 -5.889 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.228 -4.731 -7.217 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.804 -5.898 -6.614 1.00 0.00 C ATOM 0 H PHE A 57 1.793 -0.092 -7.623 1.00 0.00 H new ATOM 0 HA PHE A 57 2.346 -2.938 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.981 -2.309 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.154 -1.461 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.037 -4.774 -5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.819 -2.667 -7.557 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.297 -6.823 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.145 -4.719 -7.788 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.390 -6.800 -6.710 1.00 0.00 H new ATOM 943 N ASP A 58 1.360 -3.296 -9.385 1.00 0.00 N ATOM 944 CA ASP A 58 0.852 -3.512 -10.731 1.00 0.00 C ATOM 945 C ASP A 58 -0.333 -4.464 -10.677 1.00 0.00 C ATOM 946 O ASP A 58 -0.327 -5.433 -9.916 1.00 0.00 O ATOM 947 CB ASP A 58 1.960 -4.062 -11.642 1.00 0.00 C ATOM 948 CG ASP A 58 1.478 -4.353 -13.049 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.637 -3.484 -13.931 1.00 0.00 O ATOM 950 OD2 ASP A 58 0.933 -5.448 -13.284 1.00 0.00 O ATOM 0 H ASP A 58 1.983 -4.029 -9.046 1.00 0.00 H new ATOM 0 HA ASP A 58 0.521 -2.562 -11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.778 -3.343 -11.685 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.362 -4.976 -11.205 1.00 0.00 H new ATOM 955 N ASP A 59 -1.344 -4.180 -11.493 1.00 0.00 N ATOM 956 CA ASP A 59 -2.620 -4.905 -11.458 1.00 0.00 C ATOM 957 C ASP A 59 -2.446 -6.364 -11.892 1.00 0.00 C ATOM 958 O ASP A 59 -3.361 -7.177 -11.768 1.00 0.00 O ATOM 959 CB ASP A 59 -3.635 -4.188 -12.360 1.00 0.00 C ATOM 960 CG ASP A 59 -5.052 -4.723 -12.243 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.691 -4.511 -11.192 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.553 -5.313 -13.226 1.00 0.00 O ATOM 0 H ASP A 59 -1.307 -3.443 -12.197 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.989 -4.915 -10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.637 -3.126 -12.114 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.309 -4.275 -13.397 1.00 0.00 H new ATOM 967 N THR A 60 -1.267 -6.685 -12.403 1.00 0.00 N ATOM 968 CA THR A 60 -0.943 -8.037 -12.814 1.00 0.00 C ATOM 969 C THR A 60 0.286 -8.580 -12.072 1.00 0.00 C ATOM 970 O THR A 60 0.216 -9.620 -11.418 1.00 0.00 O ATOM 971 CB THR A 60 -0.693 -8.077 -14.330 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.923 -7.855 -15.032 1.00 0.00 O ATOM 973 CG2 THR A 60 -0.075 -9.397 -14.760 1.00 0.00 C ATOM 0 H THR A 60 -0.511 -6.015 -12.543 1.00 0.00 H new ATOM 0 HA THR A 60 -1.793 -8.672 -12.562 1.00 0.00 H new ATOM 0 HB THR A 60 0.014 -7.285 -14.576 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.758 -7.880 -15.998 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.087 -9.389 -15.838 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.879 -9.535 -14.250 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.747 -10.215 -14.501 1.00 0.00 H new ATOM 981 N GLU A 61 1.406 -7.871 -12.180 1.00 0.00 N ATOM 982 CA GLU A 61 2.678 -8.341 -11.631 1.00 0.00 C ATOM 983 C GLU A 61 2.779 -8.150 -10.114 1.00 0.00 C ATOM 984 O GLU A 61 3.759 -8.576 -9.503 1.00 0.00 O ATOM 985 CB GLU A 61 3.845 -7.631 -12.312 1.00 0.00 C ATOM 986 CG GLU A 61 3.681 -7.512 -13.812 1.00 0.00 C ATOM 987 CD GLU A 61 4.847 -6.809 -14.474 1.00 0.00 C ATOM 988 OE1 GLU A 61 4.701 -5.625 -14.838 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.914 -7.438 -14.634 1.00 0.00 O ATOM 0 H GLU A 61 1.460 -6.965 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 61 2.724 -9.412 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.953 -6.634 -11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.766 -8.172 -12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.571 -8.508 -14.241 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.762 -6.968 -14.031 1.00 0.00 H new ATOM 996 N GLY A 62 1.786 -7.510 -9.509 1.00 0.00 N ATOM 997 CA GLY A 62 1.769 -7.372 -8.060 1.00 0.00 C ATOM 998 C GLY A 62 2.677 -6.268 -7.545 1.00 0.00 C ATOM 999 O GLY A 62 3.002 -5.337 -8.279 1.00 0.00 O ATOM 0 H GLY A 62 0.994 -7.085 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.748 -7.173 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.069 -8.318 -7.609 1.00 0.00 H new ATOM 1003 N PRO A 63 3.094 -6.354 -6.267 1.00 0.00 N ATOM 1004 CA PRO A 63 3.948 -5.344 -5.625 1.00 0.00 C ATOM 1005 C PRO A 63 5.321 -5.237 -6.284 1.00 0.00 C ATOM 1006 O PRO A 63 6.057 -6.220 -6.357 1.00 0.00 O ATOM 1007 CB PRO A 63 4.099 -5.845 -4.180 1.00 0.00 C ATOM 1008 CG PRO A 63 3.038 -6.877 -3.992 1.00 0.00 C ATOM 1009 CD PRO A 63 2.770 -7.460 -5.353 1.00 0.00 C ATOM 0 HA PRO A 63 3.508 -4.349 -5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.090 -6.269 -4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.979 -5.028 -3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.366 -7.649 -3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.134 -6.434 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.391 -8.335 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.732 -7.777 -5.457 1.00 0.00 H new ATOM 1017 N LEU A 64 5.664 -4.046 -6.754 1.00 0.00 N ATOM 1018 CA LEU A 64 6.968 -3.827 -7.375 1.00 0.00 C ATOM 1019 C LEU A 64 7.995 -3.515 -6.299 1.00 0.00 C ATOM 1020 O LEU A 64 8.115 -2.378 -5.846 1.00 0.00 O ATOM 1021 CB LEU A 64 6.948 -2.690 -8.416 1.00 0.00 C ATOM 1022 CG LEU A 64 5.987 -2.871 -9.601 1.00 0.00 C ATOM 1023 CD1 LEU A 64 6.105 -4.270 -10.177 1.00 0.00 C ATOM 1024 CD2 LEU A 64 4.554 -2.567 -9.206 1.00 0.00 C ATOM 0 H LEU A 64 5.065 -3.221 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 64 7.233 -4.743 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.691 -1.762 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.957 -2.568 -8.809 1.00 0.00 H new ATOM 0 HG LEU A 64 6.273 -2.156 -10.373 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.416 -4.378 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.125 -4.436 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.858 -5.002 -9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.902 -2.705 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.246 -3.241 -8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.483 -1.536 -8.859 1.00 0.00 H new ATOM 1036 N VAL A 65 8.725 -4.554 -5.908 1.00 0.00 N ATOM 1037 CA VAL A 65 9.679 -4.495 -4.805 1.00 0.00 C ATOM 1038 C VAL A 65 10.657 -3.331 -4.930 1.00 0.00 C ATOM 1039 O VAL A 65 10.902 -2.625 -3.957 1.00 0.00 O ATOM 1040 CB VAL A 65 10.469 -5.811 -4.700 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.554 -5.714 -3.637 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.528 -6.962 -4.399 1.00 0.00 C ATOM 0 H VAL A 65 8.671 -5.471 -6.352 1.00 0.00 H new ATOM 0 HA VAL A 65 9.090 -4.339 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 65 10.956 -5.996 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.097 -6.658 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.245 -4.912 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.098 -5.503 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.098 -7.888 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.016 -6.776 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.793 -7.050 -5.199 1.00 0.00 H new ATOM 1052 N ASP A 66 11.212 -3.130 -6.118 1.00 0.00 N ATOM 1053 CA ASP A 66 12.207 -2.080 -6.318 1.00 0.00 C ATOM 1054 C ASP A 66 11.634 -0.699 -6.007 1.00 0.00 C ATOM 1055 O ASP A 66 12.204 0.048 -5.211 1.00 0.00 O ATOM 1056 CB ASP A 66 12.754 -2.110 -7.740 1.00 0.00 C ATOM 1057 CG ASP A 66 13.776 -1.015 -7.979 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.474 -0.068 -8.738 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.880 -1.084 -7.396 1.00 0.00 O ATOM 0 H ASP A 66 10.994 -3.674 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 66 13.024 -2.274 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.211 -3.081 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.932 -1.999 -8.447 1.00 0.00 H new ATOM 1064 N ASN A 67 10.494 -0.369 -6.613 1.00 0.00 N ATOM 1065 CA ASN A 67 9.847 0.917 -6.362 1.00 0.00 C ATOM 1066 C ASN A 67 9.460 1.032 -4.895 1.00 0.00 C ATOM 1067 O ASN A 67 9.500 2.112 -4.309 1.00 0.00 O ATOM 1068 CB ASN A 67 8.609 1.101 -7.244 1.00 0.00 C ATOM 1069 CG ASN A 67 8.949 1.202 -8.724 1.00 0.00 C ATOM 1070 OD1 ASN A 67 10.090 1.484 -9.090 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.957 1.019 -9.586 1.00 0.00 N ATOM 0 H ASN A 67 10.003 -0.969 -7.276 1.00 0.00 H new ATOM 0 HA ASN A 67 10.560 1.703 -6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.930 0.263 -7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.079 2.002 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.128 1.111 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.023 0.786 -9.247 1.00 0.00 H new ATOM 1078 N LEU A 68 9.104 -0.104 -4.310 1.00 0.00 N ATOM 1079 CA LEU A 68 8.733 -0.175 -2.903 1.00 0.00 C ATOM 1080 C LEU A 68 9.897 0.212 -2.000 1.00 0.00 C ATOM 1081 O LEU A 68 9.719 0.919 -1.017 1.00 0.00 O ATOM 1082 CB LEU A 68 8.228 -1.581 -2.569 1.00 0.00 C ATOM 1083 CG LEU A 68 6.761 -1.826 -2.922 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.457 -3.314 -2.961 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.859 -1.133 -1.918 1.00 0.00 C ATOM 0 H LEU A 68 9.064 -1.000 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 68 7.931 0.541 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.843 -2.310 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.367 -1.760 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 68 6.572 -1.412 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.408 -3.464 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.084 -3.794 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.661 -3.753 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.817 -1.314 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.056 -1.525 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.055 -0.061 -1.932 1.00 0.00 H new ATOM 1097 N VAL A 69 11.089 -0.244 -2.343 1.00 0.00 N ATOM 1098 CA VAL A 69 12.286 0.094 -1.588 1.00 0.00 C ATOM 1099 C VAL A 69 12.688 1.546 -1.821 1.00 0.00 C ATOM 1100 O VAL A 69 13.066 2.253 -0.889 1.00 0.00 O ATOM 1101 CB VAL A 69 13.455 -0.822 -1.971 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.698 -0.460 -1.183 1.00 0.00 C ATOM 1103 CG2 VAL A 69 13.088 -2.274 -1.746 1.00 0.00 C ATOM 0 H VAL A 69 11.256 -0.853 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 69 12.053 -0.047 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 69 13.668 -0.680 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.516 -1.121 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.975 0.573 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.498 -0.571 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.929 -2.909 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.847 -2.430 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.223 -2.530 -2.358 1.00 0.00 H new ATOM 1113 N HIS A 70 12.593 1.993 -3.065 1.00 0.00 N ATOM 1114 CA HIS A 70 12.962 3.365 -3.411 1.00 0.00 C ATOM 1115 C HIS A 70 12.038 4.370 -2.728 1.00 0.00 C ATOM 1116 O HIS A 70 12.427 5.508 -2.469 1.00 0.00 O ATOM 1117 CB HIS A 70 12.938 3.575 -4.928 1.00 0.00 C ATOM 1118 CG HIS A 70 14.150 3.048 -5.643 1.00 0.00 C ATOM 1119 ND1 HIS A 70 15.091 3.867 -6.231 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.561 1.780 -5.888 1.00 0.00 C ATOM 1121 CE1 HIS A 70 16.020 3.124 -6.806 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.723 1.855 -6.613 1.00 0.00 N ATOM 0 H HIS A 70 12.265 1.431 -3.851 1.00 0.00 H new ATOM 0 HA HIS A 70 13.979 3.531 -3.054 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.051 3.091 -5.336 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.843 4.641 -5.134 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.064 0.875 -5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.880 3.495 -7.344 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.267 1.060 -6.947 1.00 0.00 H new ATOM 1131 N GLN A 71 10.819 3.940 -2.437 1.00 0.00 N ATOM 1132 CA GLN A 71 9.845 4.794 -1.768 1.00 0.00 C ATOM 1133 C GLN A 71 9.932 4.644 -0.249 1.00 0.00 C ATOM 1134 O GLN A 71 10.214 5.609 0.462 1.00 0.00 O ATOM 1135 CB GLN A 71 8.430 4.441 -2.229 1.00 0.00 C ATOM 1136 CG GLN A 71 7.389 5.482 -1.838 1.00 0.00 C ATOM 1137 CD GLN A 71 7.628 6.835 -2.485 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.137 6.927 -3.598 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.264 7.901 -1.787 1.00 0.00 N ATOM 0 H GLN A 71 10.479 3.003 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 71 10.071 5.827 -2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.427 4.325 -3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.147 3.478 -1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.400 5.121 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.390 5.599 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.844 7.787 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.404 8.835 -2.172 1.00 0.00 H new ATOM 1148 N LEU A 72 9.694 3.426 0.234 1.00 0.00 N ATOM 1149 CA LEU A 72 9.623 3.156 1.672 1.00 0.00 C ATOM 1150 C LEU A 72 10.929 3.470 2.387 1.00 0.00 C ATOM 1151 O LEU A 72 10.919 4.101 3.439 1.00 0.00 O ATOM 1152 CB LEU A 72 9.223 1.703 1.939 1.00 0.00 C ATOM 1153 CG LEU A 72 7.765 1.360 1.626 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.531 -0.135 1.765 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.820 2.125 2.545 1.00 0.00 C ATOM 0 H LEU A 72 9.546 2.605 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 72 8.857 3.819 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.867 1.051 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.416 1.477 2.988 1.00 0.00 H new ATOM 0 HG LEU A 72 7.560 1.655 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.489 -0.363 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.178 -0.671 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.757 -0.445 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.789 1.865 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.028 1.861 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.966 3.196 2.407 1.00 0.00 H new ATOM 1167 N ALA A 73 12.048 3.041 1.814 1.00 0.00 N ATOM 1168 CA ALA A 73 13.362 3.258 2.418 1.00 0.00 C ATOM 1169 C ALA A 73 13.815 4.718 2.307 1.00 0.00 C ATOM 1170 O ALA A 73 15.005 4.998 2.147 1.00 0.00 O ATOM 1171 CB ALA A 73 14.379 2.331 1.786 1.00 0.00 C ATOM 0 H ALA A 73 12.073 2.538 0.927 1.00 0.00 H new ATOM 0 HA ALA A 73 13.281 3.032 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.355 2.498 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.077 1.296 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.438 2.531 0.716 1.00 0.00 H new ATOM 1177 N HIS A 74 12.853 5.628 2.380 1.00 0.00 N ATOM 1178 CA HIS A 74 13.100 7.066 2.313 1.00 0.00 C ATOM 1179 C HIS A 74 13.972 7.514 3.487 1.00 0.00 C ATOM 1180 O HIS A 74 13.464 7.866 4.552 1.00 0.00 O ATOM 1181 CB HIS A 74 11.756 7.815 2.329 1.00 0.00 C ATOM 1182 CG HIS A 74 11.861 9.301 2.161 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.770 10.181 3.215 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.018 10.062 1.052 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.864 11.416 2.764 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.016 11.373 1.456 1.00 0.00 N ATOM 0 H HIS A 74 11.868 5.388 2.489 1.00 0.00 H new ATOM 0 HA HIS A 74 13.630 7.296 1.389 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.125 7.417 1.534 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.251 7.605 3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.125 9.704 0.039 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.823 12.312 3.365 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.116 12.183 0.844 1.00 0.00 H new ATOM 1195 N GLY A 75 15.283 7.482 3.283 1.00 0.00 N ATOM 1196 CA GLY A 75 16.213 7.861 4.328 1.00 0.00 C ATOM 1197 C GLY A 75 16.466 6.735 5.311 1.00 0.00 C ATOM 1198 O GLY A 75 16.733 6.979 6.488 1.00 0.00 O ATOM 0 H GLY A 75 15.720 7.198 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.158 8.166 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.821 8.726 4.863 1.00 0.00 H new ATOM 1202 N ARG A 76 16.383 5.497 4.833 1.00 0.00 N ATOM 1203 CA ARG A 76 16.566 4.327 5.691 1.00 0.00 C ATOM 1204 C ARG A 76 17.207 3.173 4.927 1.00 0.00 C ATOM 1205 O ARG A 76 17.300 3.209 3.698 1.00 0.00 O ATOM 1206 CB ARG A 76 15.226 3.892 6.290 1.00 0.00 C ATOM 1207 CG ARG A 76 14.951 4.501 7.657 1.00 0.00 C ATOM 1208 CD ARG A 76 13.675 3.953 8.268 1.00 0.00 C ATOM 1209 NE ARG A 76 13.424 4.500 9.601 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.266 5.040 9.985 1.00 0.00 C ATOM 1211 NH1 ARG A 76 11.277 5.199 9.113 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.109 5.451 11.236 1.00 0.00 N ATOM 0 H ARG A 76 16.190 5.276 3.856 1.00 0.00 H new ATOM 0 HA ARG A 76 17.240 4.607 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.423 4.171 5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.209 2.805 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.790 4.297 8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.874 5.584 7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.833 4.186 7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.740 2.867 8.329 1.00 0.00 H new ATOM 0 HE ARG A 76 14.183 4.466 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.400 4.908 8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.394 5.612 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.873 5.354 11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.224 5.864 11.530 1.00 0.00 H new ATOM 1226 N ASP A 77 17.648 2.160 5.678 1.00 0.00 N ATOM 1227 CA ASP A 77 18.329 0.986 5.127 1.00 0.00 C ATOM 1228 C ASP A 77 17.474 0.263 4.099 1.00 0.00 C ATOM 1229 O ASP A 77 16.576 -0.507 4.444 1.00 0.00 O ATOM 1230 CB ASP A 77 18.706 0.018 6.249 1.00 0.00 C ATOM 1231 CG ASP A 77 19.712 0.606 7.215 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.926 0.396 7.010 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.296 1.288 8.178 1.00 0.00 O ATOM 0 H ASP A 77 17.542 2.132 6.692 1.00 0.00 H new ATOM 0 HA ASP A 77 19.230 1.341 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.807 -0.266 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.116 -0.894 5.814 1.00 0.00 H new ATOM 1238 N ALA A 78 17.793 0.503 2.837 1.00 0.00 N ATOM 1239 CA ALA A 78 17.046 -0.046 1.714 1.00 0.00 C ATOM 1240 C ALA A 78 17.053 -1.569 1.711 1.00 0.00 C ATOM 1241 O ALA A 78 16.032 -2.198 1.425 1.00 0.00 O ATOM 1242 CB ALA A 78 17.624 0.480 0.416 1.00 0.00 C ATOM 0 H ALA A 78 18.582 1.087 2.560 1.00 0.00 H new ATOM 0 HA ALA A 78 16.008 0.272 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.065 0.069 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.554 1.568 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.670 0.182 0.336 1.00 0.00 H new ATOM 1248 N GLU A 79 18.198 -2.154 2.036 1.00 0.00 N ATOM 1249 CA GLU A 79 18.345 -3.608 2.034 1.00 0.00 C ATOM 1250 C GLU A 79 17.359 -4.254 2.997 1.00 0.00 C ATOM 1251 O GLU A 79 16.672 -5.219 2.654 1.00 0.00 O ATOM 1252 CB GLU A 79 19.767 -4.008 2.418 1.00 0.00 C ATOM 1253 CG GLU A 79 20.818 -3.611 1.398 1.00 0.00 C ATOM 1254 CD GLU A 79 22.196 -4.103 1.778 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.754 -4.947 1.044 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.721 -3.660 2.818 1.00 0.00 O ATOM 0 H GLU A 79 19.041 -1.646 2.305 1.00 0.00 H new ATOM 0 HA GLU A 79 18.136 -3.960 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.015 -3.552 3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.804 -5.088 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.546 -4.014 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.836 -2.526 1.300 1.00 0.00 H new ATOM 1263 N GLU A 80 17.281 -3.699 4.197 1.00 0.00 N ATOM 1264 CA GLU A 80 16.401 -4.217 5.226 1.00 0.00 C ATOM 1265 C GLU A 80 14.945 -3.970 4.855 1.00 0.00 C ATOM 1266 O GLU A 80 14.090 -4.831 5.059 1.00 0.00 O ATOM 1267 CB GLU A 80 16.740 -3.576 6.565 1.00 0.00 C ATOM 1268 CG GLU A 80 18.158 -3.881 7.007 1.00 0.00 C ATOM 1269 CD GLU A 80 18.450 -3.453 8.428 1.00 0.00 C ATOM 1270 OE1 GLU A 80 19.029 -2.367 8.619 1.00 0.00 O ATOM 1271 OE2 GLU A 80 18.120 -4.214 9.362 1.00 0.00 O ATOM 0 H GLU A 80 17.823 -2.883 4.481 1.00 0.00 H new ATOM 0 HA GLU A 80 16.546 -5.294 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.609 -2.496 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.041 -3.931 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.337 -4.952 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.856 -3.382 6.335 1.00 0.00 H new ATOM 1278 N VAL A 81 14.675 -2.793 4.299 1.00 0.00 N ATOM 1279 CA VAL A 81 13.343 -2.461 3.806 1.00 0.00 C ATOM 1280 C VAL A 81 12.874 -3.486 2.774 1.00 0.00 C ATOM 1281 O VAL A 81 11.786 -4.043 2.899 1.00 0.00 O ATOM 1282 CB VAL A 81 13.318 -1.045 3.197 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.004 -0.762 2.486 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.564 -0.021 4.282 1.00 0.00 C ATOM 0 H VAL A 81 15.364 -2.051 4.178 1.00 0.00 H new ATOM 0 HA VAL A 81 12.659 -2.484 4.655 1.00 0.00 H new ATOM 0 HB VAL A 81 14.110 -0.981 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.025 0.245 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.863 -1.484 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.181 -0.844 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.546 0.979 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.786 -0.102 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.537 -0.201 4.738 1.00 0.00 H new ATOM 1294 N ARG A 82 13.718 -3.739 1.773 1.00 0.00 N ATOM 1295 CA ARG A 82 13.438 -4.728 0.735 1.00 0.00 C ATOM 1296 C ARG A 82 13.013 -6.056 1.350 1.00 0.00 C ATOM 1297 O ARG A 82 12.019 -6.657 0.939 1.00 0.00 O ATOM 1298 CB ARG A 82 14.685 -4.934 -0.119 1.00 0.00 C ATOM 1299 CG ARG A 82 14.432 -5.750 -1.370 1.00 0.00 C ATOM 1300 CD ARG A 82 15.727 -6.021 -2.110 1.00 0.00 C ATOM 1301 NE ARG A 82 15.507 -6.697 -3.385 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.459 -6.889 -4.298 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.697 -6.464 -4.073 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.169 -7.510 -5.432 1.00 0.00 N ATOM 0 H ARG A 82 14.614 -3.264 1.660 1.00 0.00 H new ATOM 0 HA ARG A 82 12.621 -4.359 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.085 -3.961 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.449 -5.430 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.956 -6.694 -1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.740 -5.218 -2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.246 -5.079 -2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.379 -6.632 -1.485 1.00 0.00 H new ATOM 0 HE ARG A 82 14.569 -7.043 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.922 -5.989 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.423 -6.613 -4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.219 -7.840 -5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.895 -7.658 -6.132 1.00 0.00 H new ATOM 1318 N THR A 83 13.761 -6.482 2.356 1.00 0.00 N ATOM 1319 CA THR A 83 13.500 -7.734 3.044 1.00 0.00 C ATOM 1320 C THR A 83 12.092 -7.750 3.645 1.00 0.00 C ATOM 1321 O THR A 83 11.316 -8.686 3.424 1.00 0.00 O ATOM 1322 CB THR A 83 14.548 -7.943 4.155 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.822 -8.246 3.572 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.139 -9.044 5.121 1.00 0.00 C ATOM 0 H THR A 83 14.565 -5.969 2.717 1.00 0.00 H new ATOM 0 HA THR A 83 13.568 -8.545 2.319 1.00 0.00 H new ATOM 0 HB THR A 83 14.618 -7.017 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.252 -7.417 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.905 -9.158 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.191 -8.782 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.027 -9.982 4.577 1.00 0.00 H new ATOM 1332 N GLU A 84 11.772 -6.701 4.388 1.00 0.00 N ATOM 1333 CA GLU A 84 10.496 -6.604 5.080 1.00 0.00 C ATOM 1334 C GLU A 84 9.297 -6.533 4.126 1.00 0.00 C ATOM 1335 O GLU A 84 8.214 -6.992 4.480 1.00 0.00 O ATOM 1336 CB GLU A 84 10.494 -5.404 6.024 1.00 0.00 C ATOM 1337 CG GLU A 84 11.647 -5.423 7.009 1.00 0.00 C ATOM 1338 CD GLU A 84 11.421 -4.525 8.204 1.00 0.00 C ATOM 1339 OE1 GLU A 84 12.026 -3.437 8.262 1.00 0.00 O ATOM 1340 OE2 GLU A 84 10.639 -4.910 9.099 1.00 0.00 O ATOM 0 H GLU A 84 12.385 -5.898 4.528 1.00 0.00 H new ATOM 0 HA GLU A 84 10.383 -7.523 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.540 -4.487 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.553 -5.383 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.805 -6.445 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.559 -5.115 6.498 1.00 0.00 H new ATOM 1347 N VAL A 85 9.462 -5.968 2.928 1.00 0.00 N ATOM 1348 CA VAL A 85 8.344 -5.935 1.983 1.00 0.00 C ATOM 1349 C VAL A 85 8.149 -7.318 1.364 1.00 0.00 C ATOM 1350 O VAL A 85 7.021 -7.730 1.093 1.00 0.00 O ATOM 1351 CB VAL A 85 8.480 -4.873 0.844 1.00 0.00 C ATOM 1352 CG1 VAL A 85 9.281 -3.666 1.297 1.00 0.00 C ATOM 1353 CG2 VAL A 85 9.054 -5.457 -0.442 1.00 0.00 C ATOM 0 H VAL A 85 10.327 -5.541 2.597 1.00 0.00 H new ATOM 0 HA VAL A 85 7.475 -5.636 2.570 1.00 0.00 H new ATOM 0 HB VAL A 85 7.467 -4.542 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.354 -2.950 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.784 -3.197 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.281 -3.983 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.125 -4.674 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.046 -5.864 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.401 -6.251 -0.804 1.00 0.00 H new ATOM 1363 N LEU A 86 9.249 -8.050 1.180 1.00 0.00 N ATOM 1364 CA LEU A 86 9.208 -9.356 0.529 1.00 0.00 C ATOM 1365 C LEU A 86 8.438 -10.380 1.352 1.00 0.00 C ATOM 1366 O LEU A 86 7.827 -11.292 0.799 1.00 0.00 O ATOM 1367 CB LEU A 86 10.624 -9.863 0.267 1.00 0.00 C ATOM 1368 CG LEU A 86 11.359 -9.154 -0.861 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.836 -9.489 -0.815 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.765 -9.549 -2.200 1.00 0.00 C ATOM 0 H LEU A 86 10.181 -7.758 1.474 1.00 0.00 H new ATOM 0 HA LEU A 86 8.685 -9.228 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.207 -9.760 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.577 -10.928 0.038 1.00 0.00 H new ATOM 0 HG LEU A 86 11.245 -8.077 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.351 -8.976 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.252 -9.167 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.969 -10.565 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.298 -9.036 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.857 -10.627 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.712 -9.269 -2.228 1.00 0.00 H new ATOM 1382 N LYS A 87 8.455 -10.225 2.669 1.00 0.00 N ATOM 1383 CA LYS A 87 7.747 -11.153 3.543 1.00 0.00 C ATOM 1384 C LYS A 87 6.252 -10.847 3.543 1.00 0.00 C ATOM 1385 O LYS A 87 5.448 -11.599 4.098 1.00 0.00 O ATOM 1386 CB LYS A 87 8.312 -11.091 4.966 1.00 0.00 C ATOM 1387 CG LYS A 87 8.037 -9.785 5.692 1.00 0.00 C ATOM 1388 CD LYS A 87 8.769 -9.724 7.020 1.00 0.00 C ATOM 1389 CE LYS A 87 8.460 -8.444 7.776 1.00 0.00 C ATOM 1390 NZ LYS A 87 9.222 -8.357 9.048 1.00 0.00 N ATOM 0 H LYS A 87 8.946 -9.473 3.153 1.00 0.00 H new ATOM 0 HA LYS A 87 7.892 -12.164 3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.892 -11.912 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.390 -11.250 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.345 -8.947 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.965 -9.679 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.488 -10.583 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.843 -9.794 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.700 -7.585 7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.392 -8.396 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.984 -7.470 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.975 -9.163 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.242 -8.377 8.844 1.00 0.00 H new ATOM 1404 N CYS A 88 5.894 -9.740 2.912 1.00 0.00 N ATOM 1405 CA CYS A 88 4.500 -9.348 2.764 1.00 0.00 C ATOM 1406 C CYS A 88 4.030 -9.600 1.334 1.00 0.00 C ATOM 1407 O CYS A 88 2.832 -9.663 1.062 1.00 0.00 O ATOM 1408 CB CYS A 88 4.317 -7.876 3.142 1.00 0.00 C ATOM 1409 SG CYS A 88 4.300 -7.564 4.941 1.00 0.00 S ATOM 0 H CYS A 88 6.557 -9.090 2.490 1.00 0.00 H new ATOM 0 HA CYS A 88 3.893 -9.952 3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.120 -7.294 2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.382 -7.515 2.713 1.00 0.00 H new ATOM 1414 N VAL A 89 4.991 -9.739 0.420 1.00 0.00 N ATOM 1415 CA VAL A 89 4.690 -10.076 -0.961 1.00 0.00 C ATOM 1416 C VAL A 89 4.246 -11.530 -1.055 1.00 0.00 C ATOM 1417 O VAL A 89 4.898 -12.428 -0.514 1.00 0.00 O ATOM 1418 CB VAL A 89 5.909 -9.853 -1.881 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.582 -10.266 -3.303 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.365 -8.402 -1.848 1.00 0.00 C ATOM 0 H VAL A 89 5.985 -9.622 0.617 1.00 0.00 H new ATOM 0 HA VAL A 89 3.887 -9.418 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 89 6.725 -10.474 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.452 -10.102 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.312 -11.322 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.746 -9.671 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.225 -8.276 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.553 -7.758 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.644 -8.131 -0.830 1.00 0.00 H new ATOM 1430 N ASP A 90 3.137 -11.757 -1.732 1.00 0.00 N ATOM 1431 CA ASP A 90 2.570 -13.090 -1.842 1.00 0.00 C ATOM 1432 C ASP A 90 1.932 -13.285 -3.211 1.00 0.00 C ATOM 1433 O ASP A 90 1.609 -12.313 -3.894 1.00 0.00 O ATOM 1434 CB ASP A 90 1.530 -13.300 -0.743 1.00 0.00 C ATOM 1435 CG ASP A 90 1.087 -14.742 -0.636 1.00 0.00 C ATOM 1436 OD1 ASP A 90 -0.112 -15.020 -0.845 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.940 -15.608 -0.348 1.00 0.00 O ATOM 0 H ASP A 90 2.607 -11.033 -2.217 1.00 0.00 H new ATOM 0 HA ASP A 90 3.368 -13.823 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.945 -12.978 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.663 -12.670 -0.942 1.00 0.00 H new ATOM 1442 N LYS A 91 1.750 -14.545 -3.597 1.00 0.00 N ATOM 1443 CA LYS A 91 1.169 -14.888 -4.893 1.00 0.00 C ATOM 1444 C LYS A 91 -0.320 -14.568 -4.912 1.00 0.00 C ATOM 1445 O LYS A 91 -0.971 -14.505 -3.865 1.00 0.00 O ATOM 1446 CB LYS A 91 1.361 -16.374 -5.201 1.00 0.00 C ATOM 1447 CG LYS A 91 2.764 -16.886 -4.945 1.00 0.00 C ATOM 1448 CD LYS A 91 3.775 -16.267 -5.893 1.00 0.00 C ATOM 1449 CE LYS A 91 5.173 -16.808 -5.640 1.00 0.00 C ATOM 1450 NZ LYS A 91 5.611 -16.585 -4.237 1.00 0.00 N ATOM 0 H LYS A 91 1.999 -15.352 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 91 1.681 -14.295 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.660 -16.952 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.106 -16.553 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.049 -16.665 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.780 -17.970 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.484 -16.473 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.775 -15.184 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.194 -17.875 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.876 -16.327 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.633 -16.763 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.409 -15.603 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.098 -17.234 -3.606 1.00 0.00 H new ATOM 1464 N ASN A 92 -0.859 -14.394 -6.109 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.270 -14.078 -6.277 1.00 0.00 C ATOM 1466 C ASN A 92 -3.113 -15.347 -6.250 1.00 0.00 C ATOM 1467 O ASN A 92 -3.815 -15.674 -7.208 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.510 -13.319 -7.585 1.00 0.00 C ATOM 1469 CG ASN A 92 -3.941 -12.817 -7.716 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.625 -12.576 -6.720 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.400 -12.660 -8.948 1.00 0.00 N ATOM 0 H ASN A 92 -0.338 -14.467 -6.983 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.569 -13.439 -5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.825 -12.473 -7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.279 -13.971 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.353 -12.328 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.801 -12.871 -9.746 1.00 0.00 H new ATOM 1478 N THR A 93 -3.032 -16.066 -5.146 1.00 0.00 N ATOM 1479 CA THR A 93 -3.879 -17.226 -4.930 1.00 0.00 C ATOM 1480 C THR A 93 -5.227 -16.778 -4.380 1.00 0.00 C ATOM 1481 O THR A 93 -6.152 -17.571 -4.220 1.00 0.00 O ATOM 1482 CB THR A 93 -3.224 -18.220 -3.957 1.00 0.00 C ATOM 1483 OG1 THR A 93 -2.887 -17.559 -2.728 1.00 0.00 O ATOM 1484 CG2 THR A 93 -1.973 -18.821 -4.571 1.00 0.00 C ATOM 0 H THR A 93 -2.386 -15.867 -4.382 1.00 0.00 H new ATOM 0 HA THR A 93 -4.019 -17.731 -5.886 1.00 0.00 H new ATOM 0 HB THR A 93 -3.936 -19.020 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.472 -18.201 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.523 -19.522 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.235 -19.346 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.261 -18.027 -4.797 1.00 0.00 H new ATOM 1492 N ASP A 94 -5.319 -15.485 -4.098 1.00 0.00 N ATOM 1493 CA ASP A 94 -6.543 -14.892 -3.587 1.00 0.00 C ATOM 1494 C ASP A 94 -7.508 -14.631 -4.741 1.00 0.00 C ATOM 1495 O ASP A 94 -8.728 -14.600 -4.567 1.00 0.00 O ATOM 1496 CB ASP A 94 -6.222 -13.587 -2.851 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.323 -13.162 -1.905 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -8.202 -12.380 -2.310 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -7.303 -13.596 -0.736 1.00 0.00 O ATOM 0 H ASP A 94 -4.552 -14.824 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.013 -15.580 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.295 -13.710 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.051 -12.796 -3.581 1.00 0.00 H new ATOM 1504 N ASN A 95 -6.913 -14.468 -5.927 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.635 -14.328 -7.193 1.00 0.00 C ATOM 1506 C ASN A 95 -8.522 -13.080 -7.211 1.00 0.00 C ATOM 1507 O ASN A 95 -9.593 -13.066 -7.821 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.463 -15.581 -7.477 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.967 -15.641 -8.906 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -8.318 -15.153 -9.829 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -10.127 -16.243 -9.094 1.00 0.00 N ATOM 0 H ASN A 95 -5.899 -14.429 -6.035 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.892 -14.209 -7.982 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.858 -16.465 -7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.313 -15.612 -6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.517 -16.317 -10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.633 -16.635 -8.300 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.067 -12.032 -6.544 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.800 -10.774 -6.497 1.00 0.00 C ATOM 1520 C ASN A 96 -7.827 -9.622 -6.283 1.00 0.00 C ATOM 1521 O ASN A 96 -7.136 -9.568 -5.270 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.848 -10.823 -5.379 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.551 -9.495 -5.171 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.112 -8.660 -4.383 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.660 -9.299 -5.863 1.00 0.00 N ATOM 0 H ASN A 96 -7.189 -12.026 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.318 -10.617 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.588 -11.587 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.366 -11.123 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.183 -8.430 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.992 -10.016 -6.508 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.782 -8.708 -7.247 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.783 -7.646 -7.264 1.00 0.00 C ATOM 1534 C ALA A 97 -6.936 -6.684 -6.090 1.00 0.00 C ATOM 1535 O ALA A 97 -5.939 -6.237 -5.519 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.842 -6.884 -8.578 1.00 0.00 C ATOM 0 H ALA A 97 -8.432 -8.682 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.808 -8.123 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.090 -6.095 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.647 -7.568 -9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.831 -6.442 -8.698 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.176 -6.364 -5.729 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.425 -5.440 -4.623 1.00 0.00 C ATOM 1544 C CYS A 98 -7.873 -6.001 -3.317 1.00 0.00 C ATOM 1545 O CYS A 98 -7.212 -5.295 -2.555 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.922 -5.143 -4.460 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.713 -4.407 -5.929 1.00 0.00 S ATOM 0 H CYS A 98 -9.017 -6.726 -6.180 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.913 -4.508 -4.862 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.438 -6.070 -4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -10.055 -4.468 -3.615 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.116 -7.281 -3.072 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.698 -7.895 -1.823 1.00 0.00 C ATOM 1554 C HIS A 99 -6.211 -8.221 -1.863 1.00 0.00 C ATOM 1555 O HIS A 99 -5.547 -8.215 -0.835 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.514 -9.160 -1.545 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.363 -9.685 -0.148 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -8.183 -11.019 0.136 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.383 -9.050 1.049 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -8.099 -11.183 1.441 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.217 -10.004 2.021 1.00 0.00 N ATOM 0 H HIS A 99 -8.596 -7.909 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.877 -7.186 -1.015 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.567 -8.950 -1.732 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.214 -9.936 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.507 -7.989 1.208 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.957 -12.125 1.950 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.189 -9.830 3.026 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.695 -8.486 -3.058 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.283 -8.825 -3.232 1.00 0.00 C ATOM 1572 C TRP A 100 -3.399 -7.666 -2.776 1.00 0.00 C ATOM 1573 O TRP A 100 -2.522 -7.837 -1.926 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.995 -9.177 -4.701 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.597 -9.668 -4.959 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.670 -10.059 -4.035 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.979 -9.842 -6.241 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.513 -10.446 -4.661 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.678 -10.328 -6.013 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.399 -9.631 -7.557 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.206 -10.607 -7.053 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.521 -9.909 -8.587 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.232 -10.393 -8.331 1.00 0.00 C ATOM 0 H TRP A 100 -6.233 -8.473 -3.924 1.00 0.00 H new ATOM 0 HA TRP A 100 -4.055 -9.696 -2.617 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.701 -9.942 -5.024 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.177 -8.295 -5.316 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.826 -10.063 -2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.334 -10.770 -4.194 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.391 -9.258 -7.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.201 -10.979 -6.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.834 -9.750 -9.608 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.429 -10.601 -9.159 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.653 -6.486 -3.328 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.908 -5.293 -2.950 1.00 0.00 C ATOM 1596 C ALA A 101 -3.150 -4.953 -1.489 1.00 0.00 C ATOM 1597 O ALA A 101 -2.244 -4.515 -0.778 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.306 -4.124 -3.830 1.00 0.00 C ATOM 0 H ALA A 101 -4.368 -6.330 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.845 -5.493 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.742 -3.239 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.091 -4.363 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.372 -3.929 -3.715 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.380 -5.176 -1.045 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.761 -4.883 0.325 1.00 0.00 C ATOM 1606 C PHE A 102 -4.022 -5.801 1.300 1.00 0.00 C ATOM 1607 O PHE A 102 -3.750 -5.420 2.432 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.275 -5.015 0.491 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.776 -4.598 1.848 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.830 -3.255 2.190 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.198 -5.539 2.775 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.293 -2.858 3.430 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.662 -5.147 4.017 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.710 -3.805 4.345 1.00 0.00 C ATOM 0 H PHE A 102 -5.131 -5.560 -1.618 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.478 -3.856 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.769 -4.410 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.562 -6.051 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.506 -2.510 1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.164 -6.589 2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.329 -1.809 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.987 -5.889 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.073 -3.498 5.315 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.690 -7.009 0.844 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.950 -7.963 1.668 1.00 0.00 C ATOM 1626 C ARG A 103 -1.536 -7.466 1.913 1.00 0.00 C ATOM 1627 O ARG A 103 -1.038 -7.503 3.037 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.895 -9.344 1.011 1.00 0.00 C ATOM 1629 CG ARG A 103 -4.226 -10.077 1.018 1.00 0.00 C ATOM 1630 CD ARG A 103 -4.107 -11.480 0.431 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.144 -12.294 1.169 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.284 -13.149 0.609 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.240 -13.309 -0.712 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.459 -13.846 1.375 1.00 0.00 N ATOM 0 H ARG A 103 -3.921 -7.349 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.476 -8.052 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.557 -9.233 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.152 -9.953 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.599 -10.142 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.958 -9.506 0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.083 -11.966 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.802 -11.413 -0.613 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.127 -12.203 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.869 -12.775 -1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.578 -13.966 -1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.482 -13.729 2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.800 -14.500 0.952 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.898 -6.990 0.848 1.00 0.00 N ATOM 1649 CA GLY A 104 0.457 -6.483 0.954 1.00 0.00 C ATOM 1650 C GLY A 104 0.536 -5.277 1.869 1.00 0.00 C ATOM 1651 O GLY A 104 1.417 -5.188 2.727 1.00 0.00 O ATOM 0 H GLY A 104 -1.298 -6.947 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.111 -7.269 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.823 -6.212 -0.037 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.408 -4.358 1.696 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.458 -3.142 2.493 1.00 0.00 C ATOM 1657 C PHE A 105 -0.747 -3.466 3.955 1.00 0.00 C ATOM 1658 O PHE A 105 -0.072 -2.971 4.851 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.519 -2.195 1.923 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.834 -1.013 2.798 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.819 -0.184 3.257 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -3.144 -0.718 3.149 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -1.106 0.911 4.049 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.432 0.374 3.943 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.414 1.189 4.394 1.00 0.00 C ATOM 0 H PHE A 105 -1.154 -4.436 1.004 1.00 0.00 H new ATOM 0 HA PHE A 105 0.513 -2.649 2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.181 -1.833 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.436 -2.758 1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.206 -0.398 2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.947 -1.349 2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.308 1.549 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.455 0.591 4.212 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.640 2.043 5.016 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.733 -4.328 4.179 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.167 -4.680 5.529 1.00 0.00 C ATOM 1677 C LYS A 106 -1.051 -5.379 6.302 1.00 0.00 C ATOM 1678 O LYS A 106 -0.828 -5.095 7.479 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.433 -5.552 5.470 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.643 -6.450 6.677 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.892 -7.306 6.519 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.077 -8.258 7.692 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.300 -9.090 7.548 1.00 0.00 N ATOM 0 H LYS A 106 -2.251 -4.800 3.438 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.407 -3.761 6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.301 -4.901 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.388 -6.173 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.773 -7.093 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.729 -5.840 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.766 -6.661 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.826 -7.878 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.205 -8.907 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.135 -7.685 8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.244 -9.904 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.137 -8.520 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.376 -9.429 6.568 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.349 -6.280 5.624 1.00 0.00 N ATOM 1698 CA CYS A 107 0.759 -7.014 6.223 1.00 0.00 C ATOM 1699 C CYS A 107 1.870 -6.062 6.660 1.00 0.00 C ATOM 1700 O CYS A 107 2.391 -6.157 7.775 1.00 0.00 O ATOM 1701 CB CYS A 107 1.292 -8.048 5.216 1.00 0.00 C ATOM 1702 SG CYS A 107 2.882 -8.824 5.675 1.00 0.00 S ATOM 0 H CYS A 107 -0.530 -6.521 4.650 1.00 0.00 H new ATOM 0 HA CYS A 107 0.401 -7.533 7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.545 -8.832 5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.408 -7.563 4.247 1.00 0.00 H new ATOM 1707 N PHE A 108 2.200 -5.117 5.790 1.00 0.00 N ATOM 1708 CA PHE A 108 3.329 -4.233 6.017 1.00 0.00 C ATOM 1709 C PHE A 108 3.008 -3.188 7.086 1.00 0.00 C ATOM 1710 O PHE A 108 3.780 -2.998 8.022 1.00 0.00 O ATOM 1711 CB PHE A 108 3.736 -3.563 4.707 1.00 0.00 C ATOM 1712 CG PHE A 108 5.138 -3.029 4.722 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.206 -3.870 4.449 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.396 -1.698 5.006 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.499 -3.394 4.457 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.691 -1.218 5.015 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.743 -2.068 4.739 1.00 0.00 C ATOM 0 H PHE A 108 1.698 -4.945 4.919 1.00 0.00 H new ATOM 0 HA PHE A 108 4.165 -4.829 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.638 -4.282 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.046 -2.746 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.022 -4.911 4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.576 -1.029 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.321 -4.061 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.880 -0.178 5.238 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.756 -1.694 4.744 1.00 0.00 H new ATOM 1727 N GLN A 109 1.847 -2.544 6.967 1.00 0.00 N ATOM 1728 CA GLN A 109 1.448 -1.481 7.892 1.00 0.00 C ATOM 1729 C GLN A 109 1.158 -2.029 9.287 1.00 0.00 C ATOM 1730 O GLN A 109 1.015 -1.272 10.246 1.00 0.00 O ATOM 1731 CB GLN A 109 0.223 -0.732 7.352 1.00 0.00 C ATOM 1732 CG GLN A 109 -1.063 -1.550 7.327 1.00 0.00 C ATOM 1733 CD GLN A 109 -2.022 -1.176 8.442 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -2.057 -0.032 8.893 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.805 -2.140 8.896 1.00 0.00 N ATOM 0 H GLN A 109 1.163 -2.740 6.236 1.00 0.00 H new ATOM 0 HA GLN A 109 2.283 -0.785 7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.060 0.157 7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.440 -0.390 6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.558 -1.410 6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.816 -2.609 7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.746 -3.076 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.468 -1.947 9.647 1.00 0.00 H new ATOM 1744 N LYS A 110 1.065 -3.347 9.394 1.00 0.00 N ATOM 1745 CA LYS A 110 0.817 -3.996 10.667 1.00 0.00 C ATOM 1746 C LYS A 110 2.093 -4.036 11.500 1.00 0.00 C ATOM 1747 O LYS A 110 2.047 -4.063 12.731 1.00 0.00 O ATOM 1748 CB LYS A 110 0.312 -5.414 10.425 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.256 -6.080 11.657 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.493 -7.562 11.426 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.396 -8.158 12.495 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.775 -7.600 12.431 1.00 0.00 N ATOM 0 H LYS A 110 1.159 -3.989 8.607 1.00 0.00 H new ATOM 0 HA LYS A 110 0.063 -3.429 11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.455 -5.389 9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.132 -6.021 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.429 -5.946 12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.194 -5.599 11.933 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.943 -7.710 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.462 -8.087 11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.436 -9.240 12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.971 -7.963 13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.437 -8.258 12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.802 -6.684 12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.050 -7.467 11.437 1.00 0.00 H new ATOM 1766 N ASN A 111 3.231 -4.027 10.817 1.00 0.00 N ATOM 1767 CA ASN A 111 4.519 -4.157 11.482 1.00 0.00 C ATOM 1768 C ASN A 111 5.369 -2.909 11.282 1.00 0.00 C ATOM 1769 O ASN A 111 6.213 -2.587 12.118 1.00 0.00 O ATOM 1770 CB ASN A 111 5.277 -5.379 10.953 1.00 0.00 C ATOM 1771 CG ASN A 111 4.521 -6.682 11.150 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.669 -7.352 12.171 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.710 -7.059 10.172 1.00 0.00 N ATOM 0 H ASN A 111 3.287 -3.931 9.803 1.00 0.00 H new ATOM 0 HA ASN A 111 4.328 -4.284 12.548 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.480 -5.241 9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.242 -5.446 11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.184 -7.929 10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.611 -6.479 9.339 1.00 0.00 H new ATOM 1780 N ASN A 112 5.142 -2.206 10.178 1.00 0.00 N ATOM 1781 CA ASN A 112 5.977 -1.065 9.811 1.00 0.00 C ATOM 1782 C ASN A 112 5.143 0.081 9.251 1.00 0.00 C ATOM 1783 O ASN A 112 5.264 0.431 8.075 1.00 0.00 O ATOM 1784 CB ASN A 112 7.007 -1.488 8.766 1.00 0.00 C ATOM 1785 CG ASN A 112 8.100 -2.372 9.325 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.589 -2.160 10.435 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.469 -3.391 8.571 1.00 0.00 N ATOM 0 H ASN A 112 4.388 -2.405 9.521 1.00 0.00 H new ATOM 0 HA ASN A 112 6.479 -0.719 10.715 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.499 -2.016 7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.458 -0.597 8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.184 -4.038 8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.039 -3.531 7.657 1.00 0.00 H new ATOM 1794 N LEU A 113 4.303 0.675 10.083 1.00 0.00 N ATOM 1795 CA LEU A 113 3.478 1.791 9.640 1.00 0.00 C ATOM 1796 C LEU A 113 4.277 3.094 9.665 1.00 0.00 C ATOM 1797 O LEU A 113 4.007 4.020 8.894 1.00 0.00 O ATOM 1798 CB LEU A 113 2.213 1.920 10.496 1.00 0.00 C ATOM 1799 CG LEU A 113 1.307 3.099 10.146 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.768 2.947 8.731 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.165 3.200 11.144 1.00 0.00 C ATOM 0 H LEU A 113 4.174 0.408 11.059 1.00 0.00 H new ATOM 0 HA LEU A 113 3.170 1.592 8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.636 1.000 10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.509 2.008 11.541 1.00 0.00 H new ATOM 0 HG LEU A 113 1.892 4.018 10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.124 3.794 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.599 2.915 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.194 2.023 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.473 4.044 10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.421 2.281 11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.569 3.347 12.146 1.00 0.00 H new ATOM 1813 N SER A 114 5.281 3.150 10.532 1.00 0.00 N ATOM 1814 CA SER A 114 6.108 4.345 10.668 1.00 0.00 C ATOM 1815 C SER A 114 6.920 4.588 9.399 1.00 0.00 C ATOM 1816 O SER A 114 7.116 5.730 8.987 1.00 0.00 O ATOM 1817 CB SER A 114 7.039 4.220 11.875 1.00 0.00 C ATOM 1818 OG SER A 114 6.303 3.976 13.063 1.00 0.00 O ATOM 0 H SER A 114 5.543 2.383 11.151 1.00 0.00 H new ATOM 0 HA SER A 114 5.447 5.198 10.824 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.748 3.409 11.709 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.622 5.135 11.985 1.00 0.00 H new ATOM 0 HG SER A 114 6.920 3.898 13.820 1.00 0.00 H new ATOM 1824 N LEU A 115 7.374 3.506 8.774 1.00 0.00 N ATOM 1825 CA LEU A 115 8.136 3.602 7.539 1.00 0.00 C ATOM 1826 C LEU A 115 7.253 4.126 6.417 1.00 0.00 C ATOM 1827 O LEU A 115 7.700 4.881 5.556 1.00 0.00 O ATOM 1828 CB LEU A 115 8.704 2.236 7.166 1.00 0.00 C ATOM 1829 CG LEU A 115 9.674 2.227 5.987 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.911 3.037 6.320 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.057 0.805 5.624 1.00 0.00 C ATOM 0 H LEU A 115 7.226 2.553 9.105 1.00 0.00 H new ATOM 0 HA LEU A 115 8.962 4.298 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.214 1.824 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.874 1.567 6.937 1.00 0.00 H new ATOM 0 HG LEU A 115 9.179 2.680 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.595 3.023 5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.624 4.066 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.405 2.606 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.749 0.818 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.535 0.328 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.162 0.246 5.350 1.00 0.00 H new ATOM 1843 N ILE A 116 5.987 3.735 6.450 1.00 0.00 N ATOM 1844 CA ILE A 116 5.021 4.176 5.458 1.00 0.00 C ATOM 1845 C ILE A 116 4.784 5.679 5.583 1.00 0.00 C ATOM 1846 O ILE A 116 4.789 6.406 4.592 1.00 0.00 O ATOM 1847 CB ILE A 116 3.690 3.408 5.604 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.905 1.930 5.274 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.620 4.004 4.704 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.676 1.078 5.494 1.00 0.00 C ATOM 0 H ILE A 116 5.605 3.109 7.159 1.00 0.00 H new ATOM 0 HA ILE A 116 5.427 3.965 4.469 1.00 0.00 H new ATOM 0 HB ILE A 116 3.348 3.496 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.218 1.840 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.720 1.544 5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.691 3.446 4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.455 5.047 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.945 3.947 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.901 0.042 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.374 1.138 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.865 1.439 4.861 1.00 0.00 H new ATOM 1862 N LYS A 117 4.613 6.139 6.814 1.00 0.00 N ATOM 1863 CA LYS A 117 4.438 7.558 7.091 1.00 0.00 C ATOM 1864 C LYS A 117 5.683 8.351 6.696 1.00 0.00 C ATOM 1865 O LYS A 117 5.591 9.483 6.220 1.00 0.00 O ATOM 1866 CB LYS A 117 4.143 7.764 8.577 1.00 0.00 C ATOM 1867 CG LYS A 117 2.741 7.339 8.994 1.00 0.00 C ATOM 1868 CD LYS A 117 2.587 7.358 10.509 1.00 0.00 C ATOM 1869 CE LYS A 117 1.144 7.154 10.941 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.304 8.350 10.670 1.00 0.00 N ATOM 0 H LYS A 117 4.592 5.545 7.643 1.00 0.00 H new ATOM 0 HA LYS A 117 3.598 7.921 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.871 7.203 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.280 8.817 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.007 8.006 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.535 6.337 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.209 6.577 10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.950 8.309 10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.728 6.293 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.114 6.924 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.266 8.572 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.916 9.160 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.327 8.156 9.866 1.00 0.00 H new ATOM 1884 N ALA A 118 6.844 7.748 6.897 1.00 0.00 N ATOM 1885 CA ALA A 118 8.112 8.400 6.608 1.00 0.00 C ATOM 1886 C ALA A 118 8.404 8.450 5.113 1.00 0.00 C ATOM 1887 O ALA A 118 9.052 9.377 4.629 1.00 0.00 O ATOM 1888 CB ALA A 118 9.227 7.676 7.324 1.00 0.00 C ATOM 0 H ALA A 118 6.934 6.800 7.262 1.00 0.00 H new ATOM 0 HA ALA A 118 8.045 9.429 6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.177 8.165 7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.044 7.698 8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.266 6.641 6.984 1.00 0.00 H new ATOM 1894 N SER A 119 7.931 7.449 4.388 1.00 0.00 N ATOM 1895 CA SER A 119 8.202 7.345 2.961 1.00 0.00 C ATOM 1896 C SER A 119 7.557 8.492 2.183 1.00 0.00 C ATOM 1897 O SER A 119 8.069 8.917 1.145 1.00 0.00 O ATOM 1898 CB SER A 119 7.716 5.997 2.424 1.00 0.00 C ATOM 1899 OG SER A 119 6.303 5.888 2.471 1.00 0.00 O ATOM 0 H SER A 119 7.356 6.695 4.764 1.00 0.00 H new ATOM 0 HA SER A 119 9.281 7.414 2.821 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.056 5.872 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.162 5.192 3.007 1.00 0.00 H new ATOM 0 HG SER A 119 5.980 6.194 3.344 1.00 0.00 H new ATOM 1905 N ILE A 120 6.442 8.997 2.693 1.00 0.00 N ATOM 1906 CA ILE A 120 5.723 10.073 2.031 1.00 0.00 C ATOM 1907 C ILE A 120 6.064 11.428 2.650 1.00 0.00 C ATOM 1908 O ILE A 120 5.463 12.451 2.310 1.00 0.00 O ATOM 1909 CB ILE A 120 4.198 9.854 2.088 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.725 9.746 3.537 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.818 8.603 1.313 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.223 9.812 3.684 1.00 0.00 C ATOM 0 H ILE A 120 6.017 8.678 3.563 1.00 0.00 H new ATOM 0 HA ILE A 120 6.039 10.068 0.988 1.00 0.00 H new ATOM 0 HB ILE A 120 3.707 10.713 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.083 8.807 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.175 10.550 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.739 8.459 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.124 8.713 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.319 7.739 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.957 9.729 4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.860 10.762 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.767 8.992 3.129 1.00 0.00 H new ATOM 1924 N LYS A 121 7.027 11.432 3.561 1.00 0.00 N ATOM 1925 CA LYS A 121 7.469 12.660 4.202 1.00 0.00 C ATOM 1926 C LYS A 121 8.302 13.488 3.230 1.00 0.00 C ATOM 1927 O LYS A 121 9.315 13.020 2.712 1.00 0.00 O ATOM 1928 CB LYS A 121 8.285 12.330 5.454 1.00 0.00 C ATOM 1929 CG LYS A 121 8.700 13.545 6.276 1.00 0.00 C ATOM 1930 CD LYS A 121 7.506 14.196 6.958 1.00 0.00 C ATOM 1931 CE LYS A 121 7.943 15.298 7.912 1.00 0.00 C ATOM 1932 NZ LYS A 121 6.795 15.895 8.644 1.00 0.00 N ATOM 0 H LYS A 121 7.518 10.594 3.873 1.00 0.00 H new ATOM 0 HA LYS A 121 6.595 13.242 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 121 7.702 11.661 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 121 9.181 11.786 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.429 13.244 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 121 9.191 14.272 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.836 14.610 6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.942 13.441 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.658 14.894 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.460 16.077 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.140 16.641 9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.124 16.305 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.317 15.158 9.200 1.00 0.00 H new ATOM 1946 N LYS A 122 7.862 14.711 2.970 1.00 0.00 N ATOM 1947 CA LYS A 122 8.580 15.598 2.068 1.00 0.00 C ATOM 1948 C LYS A 122 9.613 16.422 2.822 1.00 0.00 C ATOM 1949 O LYS A 122 9.414 16.774 3.987 1.00 0.00 O ATOM 1950 CB LYS A 122 7.612 16.506 1.290 1.00 0.00 C ATOM 1951 CG LYS A 122 6.296 16.809 2.002 1.00 0.00 C ATOM 1952 CD LYS A 122 6.484 17.733 3.196 1.00 0.00 C ATOM 1953 CE LYS A 122 5.151 18.144 3.801 1.00 0.00 C ATOM 1954 NZ LYS A 122 4.346 18.977 2.868 1.00 0.00 N ATOM 0 H LYS A 122 7.013 15.110 3.370 1.00 0.00 H new ATOM 0 HA LYS A 122 9.107 14.978 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.116 17.448 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 122 7.389 16.037 0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.601 17.266 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.843 15.876 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.089 17.233 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.033 18.622 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.585 17.252 4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.327 18.700 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.371 19.051 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.763 19.927 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.340 18.536 1.926 1.00 0.00 H new ATOM 1968 N ASP A 123 10.721 16.703 2.152 1.00 0.00 N ATOM 1969 CA ASP A 123 11.810 17.466 2.749 1.00 0.00 C ATOM 1970 C ASP A 123 11.434 18.937 2.836 1.00 0.00 C ATOM 1971 O ASP A 123 11.505 19.634 1.799 1.00 0.00 O ATOM 1972 CB ASP A 123 13.098 17.317 1.933 1.00 0.00 C ATOM 1973 CG ASP A 123 13.571 15.883 1.814 1.00 0.00 C ATOM 1974 OD1 ASP A 123 14.272 15.398 2.728 1.00 0.00 O ATOM 1975 OD2 ASP A 123 13.260 15.234 0.793 1.00 0.00 O ATOM 1976 OXT ASP A 123 11.062 19.397 3.934 1.00 0.00 O ATOM 0 H ASP A 123 10.891 16.413 1.189 1.00 0.00 H new ATOM 0 HA ASP A 123 11.984 17.074 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 123 12.936 17.723 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.884 17.914 2.396 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.620 6.866 2.424 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.863 5.587 2.155 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.849 5.806 1.040 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.143 4.499 0.677 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.466 3.934 1.896 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.214 4.240 2.146 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.498 5.242 1.276 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.763 5.718 1.943 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.926 5.241 1.570 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.010 4.267 0.426 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.401 3.688 0.353 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.577 2.400 0.186 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.401 1.494 -0.043 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.912 0.977 1.286 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.885 -0.311 1.518 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.444 -1.269 0.499 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.575 -2.659 1.114 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.896 -3.708 0.051 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.048 -5.089 0.684 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.179 -6.170 -0.385 1.00 0.00 C HETATM 2002 O1 ACD A 201 -5.860 6.824 2.427 1.00 0.00 O HETATM 2003 O2 ACD A 201 -3.979 7.915 2.647 1.00 0.00 O HETATM 0 H203 ACD A 201 3.288 -6.170 -1.013 1.00 0.00 H new HETATM 0 H202 ACD A 201 5.057 -5.969 -1.000 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.286 -7.144 0.093 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.926 -5.102 1.329 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.185 -5.300 1.316 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.103 -3.730 -0.696 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.815 -3.437 -0.468 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.360 -2.652 1.870 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.647 -2.924 1.621 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.792 -1.307 -0.374 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.418 -0.921 0.154 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.603 2.034 -0.553 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.686 0.663 -0.688 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.280 3.469 0.561 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.765 4.769 -0.510 1.00 0.00 H new HETATM 0 HO2 ACD A 201 -3.952 8.083 3.612 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.833 5.550 2.089 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.711 6.461 2.738 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.736 4.791 0.312 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.157 6.091 1.078 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.308 3.771 2.980 1.00 0.00 H new HETATM 0 H5 ACD A 201 -2.013 3.273 2.569 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.864 3.782 0.284 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.409 4.677 -0.109 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.352 6.208 0.160 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.113 6.546 1.353 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.354 5.259 3.061 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.558 4.795 1.875 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.459 -0.690 2.447 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.581 1.676 2.054 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.584 1.983 0.213 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.266 4.346 0.440 1.00 0.00 H new