USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1122 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 HIS : no HE2:sc= 0.71 K(o=2.6,f=-12!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.89 K(o=2.6,f=-14!) USER MOD Set 2.1: B 9 HIS : no HD1:sc= -2.28! C(o=-2.4!,f=-4!) USER MOD Set 2.2: B 37 HIS : no HD1:sc= -0.0632 K(o=-2.4,f=-4.2!) USER MOD Set 2.3: B 40 THR OG1 : rot 180:sc= -0.0357 USER MOD Set 3.1: A 31 TYR OH : rot -157:sc= 0.695 USER MOD Set 3.2: B 24 ASN : amide:sc= 0.629 K(o=1.3,f=-0.6) USER MOD Set 4.1: A 69 ASN : amide:sc= 1.03 K(o=-0.99,f=-8.5!) USER MOD Set 4.2: B 67 HIS : no HE2:sc= -2.01! C(o=-0.99!,f=-3.9!) USER MOD Set 5.1: A 12 CYS SG : rot 180:sc= 0.819 USER MOD Set 5.2: A 15 CYS SG : rot 68:sc= -3.54! USER MOD Single : A 3 SER OG : rot 180:sc= 0.299 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -154:sc= 0.045 USER MOD Single : A 9 HIS : no HD1:sc= 0.855 K(o=0.86,f=-5.1!) USER MOD Single : A 17 SER OG : rot 73:sc= 0.49 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -32:sc= 0.448 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.14) USER MOD Single : A 32 THR OG1 : rot 104:sc= 0.00507 USER MOD Single : A 37 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-8.7!) USER MOD Single : A 40 THR OG1 : rot -40:sc= 0.0121 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -158:sc=-0.00854 USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 1.17 (180deg=0.845) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0.077 USER MOD Single : B 12 CYS SG : rot 38:sc= 0.495 USER MOD Single : B 15 CYS SG : rot 60:sc= -2.74! USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc=-0.00662 K(o=-0.0066,f=-0.57) USER MOD Single : B 29 SER OG : rot 83:sc= 1.33 USER MOD Single : B 30 LYS NZ :NH3+ -135:sc= 1.04 (180deg=0.0841) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 88:sc= 1.22 USER MOD Single : B 42 LYS NZ :NH3+ 171:sc= 1.16 (180deg=1.07) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 26.718 16.673 -12.103 1.00 0.00 N ATOM 20 CA ALA A 2 27.112 15.924 -10.919 1.00 0.00 C ATOM 21 C ALA A 2 27.408 16.883 -9.776 1.00 0.00 C ATOM 22 O ALA A 2 28.529 17.376 -9.641 1.00 0.00 O ATOM 23 CB ALA A 2 28.329 15.052 -11.207 1.00 0.00 C ATOM 0 HA ALA A 2 26.288 15.270 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.604 14.502 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA A 2 28.091 14.347 -12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 2 29.163 15.682 -11.516 1.00 0.00 H new ATOM 29 N SER A 3 26.393 17.177 -8.976 1.00 0.00 N ATOM 30 CA SER A 3 26.549 18.107 -7.874 1.00 0.00 C ATOM 31 C SER A 3 26.985 17.384 -6.600 1.00 0.00 C ATOM 32 O SER A 3 28.179 17.190 -6.373 1.00 0.00 O ATOM 33 CB SER A 3 25.251 18.888 -7.650 1.00 0.00 C ATOM 34 OG SER A 3 24.130 18.019 -7.597 1.00 0.00 O ATOM 0 H SER A 3 25.456 16.785 -9.071 1.00 0.00 H new ATOM 0 HA SER A 3 27.335 18.816 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.320 19.454 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.116 19.611 -8.454 1.00 0.00 H new ATOM 0 HG SER A 3 23.315 18.544 -7.452 1.00 0.00 H new ATOM 40 N LYS A 4 26.020 16.960 -5.790 1.00 0.00 N ATOM 41 CA LYS A 4 26.319 16.305 -4.523 1.00 0.00 C ATOM 42 C LYS A 4 25.042 15.822 -3.849 1.00 0.00 C ATOM 43 O LYS A 4 24.013 16.496 -3.895 1.00 0.00 O ATOM 44 CB LYS A 4 27.069 17.266 -3.592 1.00 0.00 C ATOM 45 CG LYS A 4 27.521 16.635 -2.286 1.00 0.00 C ATOM 46 CD LYS A 4 28.539 17.510 -1.576 1.00 0.00 C ATOM 47 CE LYS A 4 29.227 16.764 -0.446 1.00 0.00 C ATOM 48 NZ LYS A 4 30.365 17.540 0.114 1.00 0.00 N ATOM 0 H LYS A 4 25.025 17.059 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 4 26.951 15.441 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 4 27.941 17.656 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 4 26.425 18.116 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 4 26.659 16.477 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 4 27.955 15.655 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 4 29.285 17.855 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 4 28.044 18.396 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 4 28.506 16.555 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 4 29.587 15.802 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.809 16.999 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 31.065 17.718 -0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 30.017 18.447 0.486 1.00 0.00 H new ATOM 62 N ALA A 5 25.118 14.654 -3.236 1.00 0.00 N ATOM 63 CA ALA A 5 24.008 14.096 -2.483 1.00 0.00 C ATOM 64 C ALA A 5 24.502 13.602 -1.132 1.00 0.00 C ATOM 65 O ALA A 5 25.209 12.597 -1.046 1.00 0.00 O ATOM 66 CB ALA A 5 23.345 12.968 -3.261 1.00 0.00 C ATOM 0 H ALA A 5 25.951 14.065 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 5 23.262 14.874 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 5 22.516 12.563 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 5 22.970 13.352 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.074 12.180 -3.451 1.00 0.00 H new ATOM 72 N ILE A 6 24.151 14.321 -0.082 1.00 0.00 N ATOM 73 CA ILE A 6 24.605 13.991 1.259 1.00 0.00 C ATOM 74 C ILE A 6 23.552 13.153 1.969 1.00 0.00 C ATOM 75 O ILE A 6 22.364 13.437 1.879 1.00 0.00 O ATOM 76 CB ILE A 6 24.890 15.264 2.084 1.00 0.00 C ATOM 77 CG1 ILE A 6 25.743 16.245 1.273 1.00 0.00 C ATOM 78 CG2 ILE A 6 25.593 14.905 3.384 1.00 0.00 C ATOM 79 CD1 ILE A 6 25.960 17.577 1.961 1.00 0.00 C ATOM 0 H ILE A 6 23.549 15.143 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 6 25.532 13.424 1.170 1.00 0.00 H new ATOM 0 HB ILE A 6 23.940 15.743 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 6 26.712 15.789 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 6 25.264 16.418 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 6 25.788 15.813 3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 6 24.959 14.238 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 6 26.537 14.407 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 6 26.572 18.218 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 6 24.997 18.056 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 6 26.467 17.417 2.912 1.00 0.00 H new ATOM 91 N PHE A 7 23.978 12.118 2.667 1.00 0.00 N ATOM 92 CA PHE A 7 23.050 11.218 3.322 1.00 0.00 C ATOM 93 C PHE A 7 23.327 11.153 4.820 1.00 0.00 C ATOM 94 O PHE A 7 24.221 10.434 5.265 1.00 0.00 O ATOM 95 CB PHE A 7 23.143 9.823 2.693 1.00 0.00 C ATOM 96 CG PHE A 7 22.109 8.852 3.189 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.786 8.970 2.792 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.459 7.816 4.038 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.834 8.072 3.234 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.512 6.916 4.485 1.00 0.00 C ATOM 101 CZ PHE A 7 20.197 7.044 4.082 1.00 0.00 C ATOM 0 H PHE A 7 24.962 11.880 2.795 1.00 0.00 H new ATOM 0 HA PHE A 7 22.038 11.598 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.047 9.918 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.134 9.413 2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.497 9.773 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.486 7.710 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.807 8.174 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.799 6.114 5.148 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.454 6.341 4.429 1.00 0.00 H new ATOM 111 N TYR A 8 22.577 11.926 5.589 1.00 0.00 N ATOM 112 CA TYR A 8 22.694 11.916 7.041 1.00 0.00 C ATOM 113 C TYR A 8 21.830 10.811 7.619 1.00 0.00 C ATOM 114 O TYR A 8 20.637 10.742 7.335 1.00 0.00 O ATOM 115 CB TYR A 8 22.264 13.258 7.641 1.00 0.00 C ATOM 116 CG TYR A 8 23.264 14.380 7.468 1.00 0.00 C ATOM 117 CD1 TYR A 8 23.284 15.153 6.314 1.00 0.00 C ATOM 118 CD2 TYR A 8 24.179 14.676 8.471 1.00 0.00 C ATOM 119 CE1 TYR A 8 24.190 16.187 6.165 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.088 15.707 8.328 1.00 0.00 C ATOM 121 CZ TYR A 8 25.090 16.458 7.174 1.00 0.00 C ATOM 122 OH TYR A 8 25.989 17.492 7.028 1.00 0.00 O ATOM 0 H TYR A 8 21.875 12.573 5.230 1.00 0.00 H new ATOM 0 HA TYR A 8 23.740 11.742 7.293 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.320 13.558 7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.075 13.120 8.705 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.581 14.943 5.521 1.00 0.00 H new ATOM 0 HD2 TYR A 8 24.180 14.090 9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 8 24.193 16.780 5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 8 25.793 15.923 9.117 1.00 0.00 H new ATOM 0 HH TYR A 8 26.782 17.315 7.575 1.00 0.00 H new ATOM 132 N HIS A 9 22.423 9.943 8.418 1.00 0.00 N ATOM 133 CA HIS A 9 21.673 8.870 9.048 1.00 0.00 C ATOM 134 C HIS A 9 22.203 8.602 10.453 1.00 0.00 C ATOM 135 O HIS A 9 23.134 9.267 10.906 1.00 0.00 O ATOM 136 CB HIS A 9 21.723 7.601 8.190 1.00 0.00 C ATOM 137 CG HIS A 9 23.073 6.962 8.104 1.00 0.00 C ATOM 138 ND1 HIS A 9 23.390 5.872 8.870 1.00 0.00 N ATOM 139 CD2 HIS A 9 24.135 7.285 7.332 1.00 0.00 C ATOM 140 CE1 HIS A 9 24.630 5.554 8.552 1.00 0.00 C ATOM 141 NE2 HIS A 9 25.125 6.381 7.620 1.00 0.00 N ATOM 0 H HIS A 9 23.417 9.959 8.646 1.00 0.00 H new ATOM 0 HA HIS A 9 20.631 9.178 9.132 1.00 0.00 H new ATOM 0 HB2 HIS A 9 21.017 6.876 8.595 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.386 7.845 7.183 1.00 0.00 H new ATOM 0 HD2 HIS A 9 24.193 8.099 6.624 1.00 0.00 H new ATOM 0 HE1 HIS A 9 25.178 4.731 8.987 1.00 0.00 H new ATOM 0 HE2 HIS A 9 26.056 6.345 7.206 1.00 0.00 H new ATOM 149 N ALA A 10 21.615 7.630 11.138 1.00 0.00 N ATOM 150 CA ALA A 10 21.991 7.340 12.516 1.00 0.00 C ATOM 151 C ALA A 10 22.449 5.895 12.684 1.00 0.00 C ATOM 152 O ALA A 10 22.629 5.426 13.808 1.00 0.00 O ATOM 153 CB ALA A 10 20.827 7.636 13.451 1.00 0.00 C ATOM 0 H ALA A 10 20.879 7.031 10.764 1.00 0.00 H new ATOM 0 HA ALA A 10 22.832 7.985 12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 10 21.120 7.416 14.478 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.553 8.688 13.370 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.973 7.017 13.176 1.00 0.00 H new ATOM 159 N GLY A 11 22.654 5.203 11.571 1.00 0.00 N ATOM 160 CA GLY A 11 23.086 3.819 11.625 1.00 0.00 C ATOM 161 C GLY A 11 22.023 2.897 12.184 1.00 0.00 C ATOM 162 O GLY A 11 22.186 2.326 13.262 1.00 0.00 O ATOM 0 H GLY A 11 22.529 5.576 10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.358 3.488 10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.984 3.746 12.239 1.00 0.00 H new ATOM 166 N CYS A 12 20.925 2.761 11.460 1.00 0.00 N ATOM 167 CA CYS A 12 19.846 1.879 11.870 1.00 0.00 C ATOM 168 C CYS A 12 19.303 1.146 10.645 1.00 0.00 C ATOM 169 O CYS A 12 19.591 1.552 9.518 1.00 0.00 O ATOM 170 CB CYS A 12 18.742 2.686 12.565 1.00 0.00 C ATOM 171 SG CYS A 12 17.824 3.801 11.478 1.00 0.00 S ATOM 0 H CYS A 12 20.757 3.252 10.582 1.00 0.00 H new ATOM 0 HA CYS A 12 20.221 1.143 12.581 1.00 0.00 H new ATOM 0 HB2 CYS A 12 18.040 1.992 13.028 1.00 0.00 H new ATOM 0 HB3 CYS A 12 19.189 3.271 13.369 1.00 0.00 H new ATOM 0 HG CYS A 12 16.918 4.430 12.166 1.00 0.00 H new ATOM 177 N PRO A 13 18.536 0.053 10.835 1.00 0.00 N ATOM 178 CA PRO A 13 17.960 -0.726 9.730 1.00 0.00 C ATOM 179 C PRO A 13 17.270 0.148 8.681 1.00 0.00 C ATOM 180 O PRO A 13 17.418 -0.079 7.482 1.00 0.00 O ATOM 181 CB PRO A 13 16.938 -1.648 10.416 1.00 0.00 C ATOM 182 CG PRO A 13 16.872 -1.200 11.841 1.00 0.00 C ATOM 183 CD PRO A 13 18.185 -0.539 12.133 1.00 0.00 C ATOM 0 HA PRO A 13 18.734 -1.263 9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.962 -1.573 9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 13 17.246 -2.691 10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.045 -0.507 11.993 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.705 -2.046 12.508 1.00 0.00 H new ATOM 0 HD2 PRO A 13 18.095 0.217 12.913 1.00 0.00 H new ATOM 0 HD3 PRO A 13 18.935 -1.255 12.469 1.00 0.00 H new ATOM 191 N VAL A 14 16.537 1.161 9.138 1.00 0.00 N ATOM 192 CA VAL A 14 15.839 2.078 8.237 1.00 0.00 C ATOM 193 C VAL A 14 16.829 2.798 7.319 1.00 0.00 C ATOM 194 O VAL A 14 16.550 3.035 6.140 1.00 0.00 O ATOM 195 CB VAL A 14 15.015 3.121 9.025 1.00 0.00 C ATOM 196 CG1 VAL A 14 14.264 4.053 8.084 1.00 0.00 C ATOM 197 CG2 VAL A 14 14.047 2.430 9.973 1.00 0.00 C ATOM 0 H VAL A 14 16.410 1.369 10.129 1.00 0.00 H new ATOM 0 HA VAL A 14 15.158 1.480 7.631 1.00 0.00 H new ATOM 0 HB VAL A 14 15.709 3.723 9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.693 4.776 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.976 4.580 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.584 3.471 7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.475 3.180 10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.366 1.800 9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.605 1.814 10.678 1.00 0.00 H new ATOM 207 N CYS A 15 17.999 3.121 7.859 1.00 0.00 N ATOM 208 CA CYS A 15 19.036 3.790 7.087 1.00 0.00 C ATOM 209 C CYS A 15 19.602 2.842 6.035 1.00 0.00 C ATOM 210 O CYS A 15 19.869 3.243 4.905 1.00 0.00 O ATOM 211 CB CYS A 15 20.157 4.279 8.008 1.00 0.00 C ATOM 212 SG CYS A 15 19.596 5.365 9.342 1.00 0.00 S ATOM 0 H CYS A 15 18.252 2.930 8.829 1.00 0.00 H new ATOM 0 HA CYS A 15 18.594 4.652 6.587 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.658 3.414 8.444 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.899 4.809 7.410 1.00 0.00 H new ATOM 0 HG CYS A 15 18.877 4.683 10.184 1.00 0.00 H new ATOM 218 N VAL A 16 19.755 1.577 6.414 1.00 0.00 N ATOM 219 CA VAL A 16 20.275 0.559 5.510 1.00 0.00 C ATOM 220 C VAL A 16 19.304 0.320 4.355 1.00 0.00 C ATOM 221 O VAL A 16 19.717 0.139 3.209 1.00 0.00 O ATOM 222 CB VAL A 16 20.535 -0.770 6.253 1.00 0.00 C ATOM 223 CG1 VAL A 16 21.132 -1.812 5.320 1.00 0.00 C ATOM 224 CG2 VAL A 16 21.446 -0.537 7.450 1.00 0.00 C ATOM 0 H VAL A 16 19.525 1.232 7.346 1.00 0.00 H new ATOM 0 HA VAL A 16 21.222 0.925 5.113 1.00 0.00 H new ATOM 0 HB VAL A 16 19.579 -1.152 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.304 -2.737 5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.442 -2.002 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.078 -1.445 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 16 21.620 -1.482 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 16 22.397 -0.128 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.974 0.167 8.135 1.00 0.00 H new ATOM 234 N SER A 17 18.013 0.333 4.663 1.00 0.00 N ATOM 235 CA SER A 17 16.982 0.211 3.642 1.00 0.00 C ATOM 236 C SER A 17 17.116 1.333 2.613 1.00 0.00 C ATOM 237 O SER A 17 17.147 1.087 1.403 1.00 0.00 O ATOM 238 CB SER A 17 15.600 0.252 4.293 1.00 0.00 C ATOM 239 OG SER A 17 15.505 -0.699 5.339 1.00 0.00 O ATOM 0 H SER A 17 17.655 0.427 5.614 1.00 0.00 H new ATOM 0 HA SER A 17 17.105 -0.743 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.408 1.251 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.834 0.052 3.543 1.00 0.00 H new ATOM 0 HG SER A 17 16.030 -0.393 6.108 1.00 0.00 H new ATOM 245 N ALA A 18 17.227 2.564 3.101 1.00 0.00 N ATOM 246 CA ALA A 18 17.387 3.721 2.232 1.00 0.00 C ATOM 247 C ALA A 18 18.716 3.658 1.483 1.00 0.00 C ATOM 248 O ALA A 18 18.824 4.125 0.353 1.00 0.00 O ATOM 249 CB ALA A 18 17.291 5.005 3.042 1.00 0.00 C ATOM 0 H ALA A 18 17.209 2.785 4.097 1.00 0.00 H new ATOM 0 HA ALA A 18 16.583 3.712 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.412 5.863 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.317 5.057 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.075 5.017 3.799 1.00 0.00 H new ATOM 255 N GLU A 19 19.713 3.063 2.120 1.00 0.00 N ATOM 256 CA GLU A 19 21.033 2.909 1.525 1.00 0.00 C ATOM 257 C GLU A 19 20.987 1.964 0.325 1.00 0.00 C ATOM 258 O GLU A 19 21.487 2.286 -0.752 1.00 0.00 O ATOM 259 CB GLU A 19 22.011 2.370 2.569 1.00 0.00 C ATOM 260 CG GLU A 19 23.426 2.191 2.050 1.00 0.00 C ATOM 261 CD GLU A 19 24.301 1.428 3.020 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.790 2.033 3.993 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.510 0.215 2.807 1.00 0.00 O ATOM 0 H GLU A 19 19.631 2.675 3.060 1.00 0.00 H new ATOM 0 HA GLU A 19 21.368 3.887 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.030 3.050 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.645 1.411 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.397 1.662 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.867 3.169 1.859 1.00 0.00 H new ATOM 270 N GLN A 20 20.375 0.801 0.512 1.00 0.00 N ATOM 271 CA GLN A 20 20.357 -0.225 -0.524 1.00 0.00 C ATOM 272 C GLN A 20 19.231 -0.001 -1.530 1.00 0.00 C ATOM 273 O GLN A 20 19.104 -0.742 -2.502 1.00 0.00 O ATOM 274 CB GLN A 20 20.225 -1.613 0.098 1.00 0.00 C ATOM 275 CG GLN A 20 21.331 -1.948 1.084 1.00 0.00 C ATOM 276 CD GLN A 20 21.265 -3.385 1.556 1.00 0.00 C ATOM 277 OE1 GLN A 20 20.192 -3.985 1.607 1.00 0.00 O ATOM 278 NE2 GLN A 20 22.409 -3.946 1.908 1.00 0.00 N ATOM 0 H GLN A 20 19.885 0.545 1.369 1.00 0.00 H new ATOM 0 HA GLN A 20 21.304 -0.156 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.263 -1.684 0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.221 -2.359 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.299 -1.766 0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.262 -1.282 1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.277 -3.413 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.424 -4.911 2.237 1.00 0.00 H new ATOM 287 N ALA A 21 18.400 1.004 -1.290 1.00 0.00 N ATOM 288 CA ALA A 21 17.343 1.343 -2.235 1.00 0.00 C ATOM 289 C ALA A 21 17.580 2.713 -2.866 1.00 0.00 C ATOM 290 O ALA A 21 17.883 2.816 -4.054 1.00 0.00 O ATOM 291 CB ALA A 21 15.983 1.296 -1.555 1.00 0.00 C ATOM 0 H ALA A 21 18.435 1.594 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 21 17.359 0.601 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.207 1.552 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.804 0.292 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.963 2.010 -0.732 1.00 0.00 H new ATOM 297 N VAL A 22 17.464 3.760 -2.058 1.00 0.00 N ATOM 298 CA VAL A 22 17.577 5.129 -2.549 1.00 0.00 C ATOM 299 C VAL A 22 19.024 5.464 -2.903 1.00 0.00 C ATOM 300 O VAL A 22 19.313 5.898 -4.017 1.00 0.00 O ATOM 301 CB VAL A 22 17.056 6.145 -1.508 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.085 7.560 -2.070 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.650 5.778 -1.054 1.00 0.00 C ATOM 0 H VAL A 22 17.291 3.687 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 22 16.962 5.200 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 22 17.716 6.109 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.714 8.257 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.108 7.825 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.454 7.612 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.303 6.506 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.979 5.779 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.661 4.786 -0.603 1.00 0.00 H new ATOM 313 N ALA A 23 19.933 5.225 -1.962 1.00 0.00 N ATOM 314 CA ALA A 23 21.347 5.529 -2.164 1.00 0.00 C ATOM 315 C ALA A 23 22.005 4.506 -3.086 1.00 0.00 C ATOM 316 O ALA A 23 23.197 4.589 -3.375 1.00 0.00 O ATOM 317 CB ALA A 23 22.071 5.589 -0.828 1.00 0.00 C ATOM 0 H ALA A 23 19.716 4.821 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 23 21.418 6.505 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.124 5.816 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.626 6.367 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.983 4.627 -0.323 1.00 0.00 H new ATOM 323 N ASN A 24 21.221 3.536 -3.531 1.00 0.00 N ATOM 324 CA ASN A 24 21.693 2.548 -4.489 1.00 0.00 C ATOM 325 C ASN A 24 21.355 3.005 -5.899 1.00 0.00 C ATOM 326 O ASN A 24 22.095 2.750 -6.850 1.00 0.00 O ATOM 327 CB ASN A 24 21.054 1.186 -4.205 1.00 0.00 C ATOM 328 CG ASN A 24 21.666 0.065 -5.024 1.00 0.00 C ATOM 329 OD1 ASN A 24 21.206 -0.248 -6.121 1.00 0.00 O ATOM 330 ND2 ASN A 24 22.710 -0.553 -4.486 1.00 0.00 N ATOM 0 H ASN A 24 20.251 3.412 -3.242 1.00 0.00 H new ATOM 0 HA ASN A 24 22.774 2.447 -4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 24 21.160 0.954 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.986 1.241 -4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.162 -1.319 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 24 23.060 -0.262 -3.573 1.00 0.00 H new ATOM 337 N ALA A 25 20.228 3.700 -6.018 1.00 0.00 N ATOM 338 CA ALA A 25 19.796 4.252 -7.291 1.00 0.00 C ATOM 339 C ALA A 25 20.590 5.506 -7.624 1.00 0.00 C ATOM 340 O ALA A 25 20.888 5.776 -8.789 1.00 0.00 O ATOM 341 CB ALA A 25 18.312 4.564 -7.254 1.00 0.00 C ATOM 0 H ALA A 25 19.596 3.893 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 25 19.978 3.510 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 25 18.003 4.977 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.753 3.650 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 25 18.112 5.290 -6.466 1.00 0.00 H new ATOM 347 N ILE A 26 20.926 6.272 -6.591 1.00 0.00 N ATOM 348 CA ILE A 26 21.760 7.449 -6.760 1.00 0.00 C ATOM 349 C ILE A 26 23.190 7.021 -7.055 1.00 0.00 C ATOM 350 O ILE A 26 23.961 6.707 -6.147 1.00 0.00 O ATOM 351 CB ILE A 26 21.737 8.359 -5.511 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.296 8.738 -5.160 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.572 9.612 -5.753 1.00 0.00 C ATOM 354 CD1 ILE A 26 20.173 9.546 -3.887 1.00 0.00 C ATOM 0 H ILE A 26 20.632 6.096 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 26 21.359 8.024 -7.595 1.00 0.00 H new ATOM 0 HB ILE A 26 22.168 7.813 -4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.868 9.308 -5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.704 7.828 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 26 22.546 10.243 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.602 9.327 -5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 26 22.165 10.162 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 26 19.124 9.777 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.570 8.970 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.737 10.473 -3.989 1.00 0.00 H new ATOM 366 N ASP A 27 23.514 6.971 -8.336 1.00 0.00 N ATOM 367 CA ASP A 27 24.819 6.513 -8.786 1.00 0.00 C ATOM 368 C ASP A 27 25.924 7.445 -8.292 1.00 0.00 C ATOM 369 O ASP A 27 25.817 8.666 -8.414 1.00 0.00 O ATOM 370 CB ASP A 27 24.839 6.432 -10.312 1.00 0.00 C ATOM 371 CG ASP A 27 26.084 5.758 -10.842 1.00 0.00 C ATOM 372 OD1 ASP A 27 27.116 6.435 -10.979 1.00 0.00 O ATOM 373 OD2 ASP A 27 26.026 4.545 -11.137 1.00 0.00 O ATOM 0 H ASP A 27 22.884 7.245 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 27 25.002 5.522 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 27 23.960 5.885 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 27 24.770 7.438 -10.726 1.00 0.00 H new ATOM 378 N PRO A 28 27.001 6.873 -7.729 1.00 0.00 N ATOM 379 CA PRO A 28 28.127 7.645 -7.184 1.00 0.00 C ATOM 380 C PRO A 28 28.944 8.370 -8.260 1.00 0.00 C ATOM 381 O PRO A 28 29.824 9.174 -7.944 1.00 0.00 O ATOM 382 CB PRO A 28 28.981 6.585 -6.485 1.00 0.00 C ATOM 383 CG PRO A 28 28.635 5.304 -7.161 1.00 0.00 C ATOM 384 CD PRO A 28 27.193 5.422 -7.557 1.00 0.00 C ATOM 0 HA PRO A 28 27.780 8.441 -6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 28 30.044 6.808 -6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.760 6.541 -5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 28 29.267 5.140 -8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 28 28.788 4.456 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.984 4.878 -8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 28 26.532 5.018 -6.790 1.00 0.00 H new ATOM 392 N SER A 29 28.672 8.070 -9.524 1.00 0.00 N ATOM 393 CA SER A 29 29.295 8.784 -10.628 1.00 0.00 C ATOM 394 C SER A 29 28.293 9.758 -11.240 1.00 0.00 C ATOM 395 O SER A 29 28.625 10.536 -12.136 1.00 0.00 O ATOM 396 CB SER A 29 29.809 7.802 -11.688 1.00 0.00 C ATOM 397 OG SER A 29 30.450 8.486 -12.754 1.00 0.00 O ATOM 0 H SER A 29 28.023 7.336 -9.809 1.00 0.00 H new ATOM 0 HA SER A 29 30.149 9.345 -10.248 1.00 0.00 H new ATOM 0 HB2 SER A 29 30.507 7.101 -11.230 1.00 0.00 H new ATOM 0 HB3 SER A 29 28.977 7.215 -12.077 1.00 0.00 H new ATOM 0 HG SER A 29 30.028 9.361 -12.881 1.00 0.00 H new ATOM 403 N LYS A 30 27.062 9.696 -10.751 1.00 0.00 N ATOM 404 CA LYS A 30 26.012 10.606 -11.177 1.00 0.00 C ATOM 405 C LYS A 30 25.964 11.800 -10.229 1.00 0.00 C ATOM 406 O LYS A 30 25.812 12.944 -10.651 1.00 0.00 O ATOM 407 CB LYS A 30 24.663 9.879 -11.184 1.00 0.00 C ATOM 408 CG LYS A 30 23.512 10.705 -11.730 1.00 0.00 C ATOM 409 CD LYS A 30 22.178 10.016 -11.489 1.00 0.00 C ATOM 410 CE LYS A 30 21.017 10.817 -12.056 1.00 0.00 C ATOM 411 NZ LYS A 30 20.953 10.739 -13.539 1.00 0.00 N ATOM 0 H LYS A 30 26.766 9.016 -10.051 1.00 0.00 H new ATOM 0 HA LYS A 30 26.222 10.959 -12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.756 8.970 -11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.424 9.572 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.508 11.686 -11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.652 10.868 -12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.193 9.026 -11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.032 9.872 -10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.082 10.448 -11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.114 11.859 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.099 11.229 -13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.796 11.192 -13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.919 9.742 -13.833 1.00 0.00 H new ATOM 425 N TYR A 31 26.095 11.512 -8.940 1.00 0.00 N ATOM 426 CA TYR A 31 26.152 12.539 -7.911 1.00 0.00 C ATOM 427 C TYR A 31 27.114 12.116 -6.812 1.00 0.00 C ATOM 428 O TYR A 31 27.203 10.933 -6.478 1.00 0.00 O ATOM 429 CB TYR A 31 24.763 12.806 -7.313 1.00 0.00 C ATOM 430 CG TYR A 31 23.822 13.526 -8.253 1.00 0.00 C ATOM 431 CD1 TYR A 31 24.009 14.870 -8.544 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.754 12.868 -8.851 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.161 15.539 -9.405 1.00 0.00 C ATOM 434 CE2 TYR A 31 21.900 13.532 -9.712 1.00 0.00 C ATOM 435 CZ TYR A 31 22.109 14.867 -9.985 1.00 0.00 C ATOM 436 OH TYR A 31 21.269 15.532 -10.849 1.00 0.00 O ATOM 0 H TYR A 31 26.165 10.560 -8.580 1.00 0.00 H new ATOM 0 HA TYR A 31 26.506 13.461 -8.372 1.00 0.00 H new ATOM 0 HB2 TYR A 31 24.314 11.856 -7.022 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.876 13.397 -6.404 1.00 0.00 H new ATOM 0 HD1 TYR A 31 24.832 15.402 -8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.589 11.822 -8.640 1.00 0.00 H new ATOM 0 HE1 TYR A 31 23.323 16.585 -9.622 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.073 13.008 -10.168 1.00 0.00 H new ATOM 0 HH TYR A 31 20.407 15.068 -10.889 1.00 0.00 H new ATOM 446 N THR A 32 27.851 13.076 -6.271 1.00 0.00 N ATOM 447 CA THR A 32 28.783 12.807 -5.188 1.00 0.00 C ATOM 448 C THR A 32 28.030 12.441 -3.910 1.00 0.00 C ATOM 449 O THR A 32 27.523 13.316 -3.206 1.00 0.00 O ATOM 450 CB THR A 32 29.680 14.030 -4.921 1.00 0.00 C ATOM 451 OG1 THR A 32 30.168 14.551 -6.163 1.00 0.00 O ATOM 452 CG2 THR A 32 30.856 13.660 -4.027 1.00 0.00 C ATOM 0 H THR A 32 27.820 14.052 -6.567 1.00 0.00 H new ATOM 0 HA THR A 32 29.409 11.967 -5.489 1.00 0.00 H new ATOM 0 HB THR A 32 29.084 14.787 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 32 29.673 15.365 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.473 14.542 -3.854 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.484 13.285 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.453 12.888 -4.512 1.00 0.00 H new ATOM 460 N VAL A 33 27.935 11.148 -3.635 1.00 0.00 N ATOM 461 CA VAL A 33 27.226 10.665 -2.459 1.00 0.00 C ATOM 462 C VAL A 33 28.103 10.773 -1.214 1.00 0.00 C ATOM 463 O VAL A 33 29.155 10.138 -1.125 1.00 0.00 O ATOM 464 CB VAL A 33 26.764 9.201 -2.636 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.954 8.740 -1.432 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.954 9.044 -3.914 1.00 0.00 C ATOM 0 H VAL A 33 28.342 10.412 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 33 26.345 11.295 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 33 27.652 8.573 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 33 25.640 7.707 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 33 26.567 8.808 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 33 25.075 9.374 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.638 8.006 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 33 25.075 9.688 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 33 26.567 9.326 -4.770 1.00 0.00 H new ATOM 476 N GLU A 34 27.662 11.583 -0.266 1.00 0.00 N ATOM 477 CA GLU A 34 28.386 11.797 0.979 1.00 0.00 C ATOM 478 C GLU A 34 27.572 11.253 2.152 1.00 0.00 C ATOM 479 O GLU A 34 26.666 11.915 2.650 1.00 0.00 O ATOM 480 CB GLU A 34 28.670 13.294 1.162 1.00 0.00 C ATOM 481 CG GLU A 34 29.394 13.652 2.453 1.00 0.00 C ATOM 482 CD GLU A 34 30.770 13.027 2.556 1.00 0.00 C ATOM 483 OE1 GLU A 34 31.620 13.294 1.681 1.00 0.00 O ATOM 484 OE2 GLU A 34 31.016 12.278 3.524 1.00 0.00 O ATOM 0 H GLU A 34 26.792 12.111 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 34 29.337 11.265 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.266 13.642 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 34 27.725 13.836 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.488 14.736 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 34 28.791 13.330 3.302 1.00 0.00 H new ATOM 491 N ILE A 35 27.875 10.033 2.568 1.00 0.00 N ATOM 492 CA ILE A 35 27.140 9.398 3.654 1.00 0.00 C ATOM 493 C ILE A 35 27.710 9.814 5.012 1.00 0.00 C ATOM 494 O ILE A 35 28.917 9.715 5.252 1.00 0.00 O ATOM 495 CB ILE A 35 27.153 7.859 3.511 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.440 7.451 2.216 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.498 7.198 4.715 1.00 0.00 C ATOM 498 CD1 ILE A 35 26.382 5.956 1.986 1.00 0.00 C ATOM 0 H ILE A 35 28.623 9.463 2.172 1.00 0.00 H new ATOM 0 HA ILE A 35 26.105 9.735 3.596 1.00 0.00 H new ATOM 0 HB ILE A 35 28.188 7.521 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 35 25.424 7.844 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 35 26.948 7.918 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.519 6.115 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 35 27.041 7.471 5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.464 7.534 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.862 5.752 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 35 27.395 5.556 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.847 5.482 2.809 1.00 0.00 H new ATOM 510 N VAL A 36 26.836 10.298 5.889 1.00 0.00 N ATOM 511 CA VAL A 36 27.240 10.798 7.195 1.00 0.00 C ATOM 512 C VAL A 36 26.508 10.063 8.314 1.00 0.00 C ATOM 513 O VAL A 36 25.280 10.131 8.415 1.00 0.00 O ATOM 514 CB VAL A 36 26.952 12.310 7.334 1.00 0.00 C ATOM 515 CG1 VAL A 36 27.390 12.822 8.698 1.00 0.00 C ATOM 516 CG2 VAL A 36 27.627 13.099 6.221 1.00 0.00 C ATOM 0 H VAL A 36 25.833 10.354 5.714 1.00 0.00 H new ATOM 0 HA VAL A 36 28.313 10.624 7.279 1.00 0.00 H new ATOM 0 HB VAL A 36 25.875 12.455 7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 36 27.177 13.888 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.847 12.289 9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 36 28.460 12.656 8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.408 14.160 6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 36 28.705 12.943 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.252 12.760 5.255 1.00 0.00 H new ATOM 526 N HIS A 37 27.260 9.366 9.152 1.00 0.00 N ATOM 527 CA HIS A 37 26.691 8.712 10.320 1.00 0.00 C ATOM 528 C HIS A 37 26.591 9.721 11.460 1.00 0.00 C ATOM 529 O HIS A 37 27.470 9.796 12.318 1.00 0.00 O ATOM 530 CB HIS A 37 27.548 7.511 10.741 1.00 0.00 C ATOM 531 CG HIS A 37 26.898 6.609 11.752 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.724 6.990 13.062 1.00 0.00 N ATOM 533 CD2 HIS A 37 26.417 5.353 11.593 1.00 0.00 C ATOM 534 CE1 HIS A 37 26.146 5.964 13.664 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.941 4.950 12.815 1.00 0.00 N ATOM 0 H HIS A 37 28.266 9.239 9.045 1.00 0.00 H new ATOM 0 HA HIS A 37 25.696 8.342 10.074 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.793 6.926 9.854 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.489 7.877 11.151 1.00 0.00 H new ATOM 0 HD2 HIS A 37 26.410 4.778 10.679 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.874 5.947 14.709 1.00 0.00 H new ATOM 0 HE2 HIS A 37 25.513 4.050 13.034 1.00 0.00 H new ATOM 543 N LEU A 38 25.525 10.510 11.452 1.00 0.00 N ATOM 544 CA LEU A 38 25.348 11.575 12.432 1.00 0.00 C ATOM 545 C LEU A 38 25.010 10.991 13.800 1.00 0.00 C ATOM 546 O LEU A 38 25.041 11.689 14.813 1.00 0.00 O ATOM 547 CB LEU A 38 24.246 12.538 11.978 1.00 0.00 C ATOM 548 CG LEU A 38 24.121 13.823 12.804 1.00 0.00 C ATOM 549 CD1 LEU A 38 25.377 14.671 12.667 1.00 0.00 C ATOM 550 CD2 LEU A 38 22.897 14.617 12.380 1.00 0.00 C ATOM 0 H LEU A 38 24.766 10.432 10.775 1.00 0.00 H new ATOM 0 HA LEU A 38 26.283 12.128 12.514 1.00 0.00 H new ATOM 0 HB2 LEU A 38 24.429 12.810 10.938 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.292 12.012 12.007 1.00 0.00 H new ATOM 0 HG LEU A 38 24.004 13.544 13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 38 25.269 15.579 13.260 1.00 0.00 H new ATOM 0 HD12 LEU A 38 26.238 14.105 13.022 1.00 0.00 H new ATOM 0 HD13 LEU A 38 25.524 14.937 11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 38 22.827 15.525 12.979 1.00 0.00 H new ATOM 0 HD22 LEU A 38 22.983 14.883 11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 38 22.002 14.014 12.530 1.00 0.00 H new ATOM 562 N GLY A 39 24.691 9.701 13.815 1.00 0.00 N ATOM 563 CA GLY A 39 24.403 9.019 15.060 1.00 0.00 C ATOM 564 C GLY A 39 25.576 9.066 16.018 1.00 0.00 C ATOM 565 O GLY A 39 25.394 9.244 17.222 1.00 0.00 O ATOM 0 H GLY A 39 24.627 9.115 12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.532 9.476 15.530 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.145 7.980 14.853 1.00 0.00 H new ATOM 569 N THR A 40 26.781 8.913 15.486 1.00 0.00 N ATOM 570 CA THR A 40 27.979 8.992 16.302 1.00 0.00 C ATOM 571 C THR A 40 28.766 10.267 15.986 1.00 0.00 C ATOM 572 O THR A 40 29.620 10.690 16.765 1.00 0.00 O ATOM 573 CB THR A 40 28.879 7.746 16.120 1.00 0.00 C ATOM 574 OG1 THR A 40 29.867 7.701 17.158 1.00 0.00 O ATOM 575 CG2 THR A 40 29.568 7.750 14.761 1.00 0.00 C ATOM 0 H THR A 40 26.952 8.734 14.496 1.00 0.00 H new ATOM 0 HA THR A 40 27.661 9.024 17.344 1.00 0.00 H new ATOM 0 HB THR A 40 28.242 6.863 16.177 1.00 0.00 H new ATOM 0 HG1 THR A 40 30.204 8.605 17.328 1.00 0.00 H new ATOM 0 HG21 THR A 40 30.192 6.861 14.667 1.00 0.00 H new ATOM 0 HG22 THR A 40 28.816 7.751 13.972 1.00 0.00 H new ATOM 0 HG23 THR A 40 30.190 8.641 14.671 1.00 0.00 H new ATOM 583 N ASP A 41 28.456 10.893 14.853 1.00 0.00 N ATOM 584 CA ASP A 41 29.118 12.135 14.446 1.00 0.00 C ATOM 585 C ASP A 41 28.413 13.327 15.094 1.00 0.00 C ATOM 586 O ASP A 41 28.188 14.360 14.462 1.00 0.00 O ATOM 587 CB ASP A 41 29.090 12.267 12.919 1.00 0.00 C ATOM 588 CG ASP A 41 30.324 12.947 12.355 1.00 0.00 C ATOM 589 OD1 ASP A 41 31.393 12.300 12.313 1.00 0.00 O ATOM 590 OD2 ASP A 41 30.234 14.114 11.924 1.00 0.00 O ATOM 0 H ASP A 41 27.749 10.561 14.197 1.00 0.00 H new ATOM 0 HA ASP A 41 30.157 12.115 14.775 1.00 0.00 H new ATOM 0 HB2 ASP A 41 28.995 11.275 12.477 1.00 0.00 H new ATOM 0 HB3 ASP A 41 28.205 12.832 12.626 1.00 0.00 H new ATOM 595 N LYS A 42 28.101 13.171 16.378 1.00 0.00 N ATOM 596 CA LYS A 42 27.303 14.139 17.130 1.00 0.00 C ATOM 597 C LYS A 42 27.967 15.513 17.164 1.00 0.00 C ATOM 598 O LYS A 42 27.294 16.534 17.281 1.00 0.00 O ATOM 599 CB LYS A 42 27.090 13.624 18.558 1.00 0.00 C ATOM 600 CG LYS A 42 26.182 14.495 19.412 1.00 0.00 C ATOM 601 CD LYS A 42 26.120 13.982 20.842 1.00 0.00 C ATOM 602 CE LYS A 42 25.178 14.813 21.698 1.00 0.00 C ATOM 603 NZ LYS A 42 25.151 14.341 23.109 1.00 0.00 N ATOM 0 H LYS A 42 28.396 12.366 16.930 1.00 0.00 H new ATOM 0 HA LYS A 42 26.342 14.250 16.628 1.00 0.00 H new ATOM 0 HB2 LYS A 42 26.669 12.620 18.510 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.059 13.540 19.049 1.00 0.00 H new ATOM 0 HG2 LYS A 42 26.547 15.522 19.406 1.00 0.00 H new ATOM 0 HG3 LYS A 42 25.180 14.511 18.984 1.00 0.00 H new ATOM 0 HD2 LYS A 42 25.790 12.943 20.842 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.119 13.999 21.278 1.00 0.00 H new ATOM 0 HE2 LYS A 42 25.488 15.858 21.670 1.00 0.00 H new ATOM 0 HE3 LYS A 42 24.172 14.768 21.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.497 14.933 23.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 24.831 13.352 23.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 26.106 14.408 23.516 1.00 0.00 H new ATOM 617 N ALA A 43 29.286 15.537 17.042 1.00 0.00 N ATOM 618 CA ALA A 43 30.035 16.788 17.077 1.00 0.00 C ATOM 619 C ALA A 43 29.710 17.666 15.871 1.00 0.00 C ATOM 620 O ALA A 43 29.932 18.877 15.890 1.00 0.00 O ATOM 621 CB ALA A 43 31.528 16.504 17.143 1.00 0.00 C ATOM 0 H ALA A 43 29.862 14.704 16.918 1.00 0.00 H new ATOM 0 HA ALA A 43 29.738 17.334 17.973 1.00 0.00 H new ATOM 0 HB1 ALA A 43 32.077 17.445 17.169 1.00 0.00 H new ATOM 0 HB2 ALA A 43 31.750 15.930 18.043 1.00 0.00 H new ATOM 0 HB3 ALA A 43 31.829 15.933 16.265 1.00 0.00 H new ATOM 627 N ARG A 44 29.167 17.056 14.826 1.00 0.00 N ATOM 628 CA ARG A 44 28.831 17.780 13.610 1.00 0.00 C ATOM 629 C ARG A 44 27.329 18.087 13.567 1.00 0.00 C ATOM 630 O ARG A 44 26.780 18.473 12.531 1.00 0.00 O ATOM 631 CB ARG A 44 29.288 16.971 12.387 1.00 0.00 C ATOM 632 CG ARG A 44 29.118 17.693 11.061 1.00 0.00 C ATOM 633 CD ARG A 44 30.156 17.260 10.038 1.00 0.00 C ATOM 634 NE ARG A 44 30.167 15.816 9.806 1.00 0.00 N ATOM 635 CZ ARG A 44 30.289 15.269 8.598 1.00 0.00 C ATOM 636 NH1 ARG A 44 30.222 16.035 7.513 1.00 0.00 N ATOM 637 NH2 ARG A 44 30.441 13.954 8.476 1.00 0.00 N ATOM 0 H ARG A 44 28.950 16.060 14.797 1.00 0.00 H new ATOM 0 HA ARG A 44 29.354 18.736 13.596 1.00 0.00 H new ATOM 0 HB2 ARG A 44 30.338 16.708 12.512 1.00 0.00 H new ATOM 0 HB3 ARG A 44 28.727 16.037 12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 44 28.120 17.499 10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 44 29.194 18.768 11.222 1.00 0.00 H new ATOM 0 HD2 ARG A 44 29.963 17.772 9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 44 31.143 17.575 10.376 1.00 0.00 H new ATOM 0 HE ARG A 44 30.077 15.196 10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.077 17.040 7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 44 30.315 15.617 6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 44 30.464 13.364 9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 44 30.534 13.535 7.551 1.00 0.00 H new ATOM 651 N ILE A 45 26.670 17.951 14.717 1.00 0.00 N ATOM 652 CA ILE A 45 25.254 18.297 14.838 1.00 0.00 C ATOM 653 C ILE A 45 25.028 19.764 14.464 1.00 0.00 C ATOM 654 O ILE A 45 23.968 20.135 13.960 1.00 0.00 O ATOM 655 CB ILE A 45 24.724 18.030 16.273 1.00 0.00 C ATOM 656 CG1 ILE A 45 23.202 18.186 16.324 1.00 0.00 C ATOM 657 CG2 ILE A 45 25.388 18.961 17.283 1.00 0.00 C ATOM 658 CD1 ILE A 45 22.597 17.822 17.664 1.00 0.00 C ATOM 0 H ILE A 45 27.093 17.604 15.578 1.00 0.00 H new ATOM 0 HA ILE A 45 24.700 17.661 14.148 1.00 0.00 H new ATOM 0 HB ILE A 45 24.977 17.004 16.539 1.00 0.00 H new ATOM 0 HG12 ILE A 45 22.943 19.218 16.087 1.00 0.00 H new ATOM 0 HG13 ILE A 45 22.755 17.560 15.552 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.999 18.753 18.280 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.466 18.799 17.273 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.174 19.997 17.019 1.00 0.00 H new ATOM 0 HD11 ILE A 45 21.516 17.957 17.624 1.00 0.00 H new ATOM 0 HD12 ILE A 45 22.824 16.781 17.895 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.015 18.465 18.439 1.00 0.00 H new ATOM 670 N ALA A 46 26.052 20.586 14.685 1.00 0.00 N ATOM 671 CA ALA A 46 25.990 22.005 14.357 1.00 0.00 C ATOM 672 C ALA A 46 25.841 22.218 12.853 1.00 0.00 C ATOM 673 O ALA A 46 25.190 23.167 12.415 1.00 0.00 O ATOM 674 CB ALA A 46 27.230 22.717 14.873 1.00 0.00 C ATOM 0 H ALA A 46 26.939 20.289 15.092 1.00 0.00 H new ATOM 0 HA ALA A 46 25.111 22.427 14.844 1.00 0.00 H new ATOM 0 HB1 ALA A 46 27.172 23.776 14.622 1.00 0.00 H new ATOM 0 HB2 ALA A 46 27.291 22.603 15.955 1.00 0.00 H new ATOM 0 HB3 ALA A 46 28.117 22.283 14.412 1.00 0.00 H new ATOM 680 N GLU A 47 26.437 21.325 12.070 1.00 0.00 N ATOM 681 CA GLU A 47 26.352 21.403 10.618 1.00 0.00 C ATOM 682 C GLU A 47 24.979 20.940 10.151 1.00 0.00 C ATOM 683 O GLU A 47 24.410 21.500 9.216 1.00 0.00 O ATOM 684 CB GLU A 47 27.457 20.564 9.966 1.00 0.00 C ATOM 685 CG GLU A 47 27.367 20.497 8.449 1.00 0.00 C ATOM 686 CD GLU A 47 28.592 19.873 7.813 1.00 0.00 C ATOM 687 OE1 GLU A 47 28.650 18.628 7.700 1.00 0.00 O ATOM 688 OE2 GLU A 47 29.502 20.629 7.413 1.00 0.00 O ATOM 0 H GLU A 47 26.985 20.538 12.418 1.00 0.00 H new ATOM 0 HA GLU A 47 26.493 22.440 10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.426 20.978 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.416 19.552 10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.485 19.922 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.231 21.504 8.053 1.00 0.00 H new ATOM 695 N ALA A 48 24.442 19.931 10.827 1.00 0.00 N ATOM 696 CA ALA A 48 23.107 19.431 10.522 1.00 0.00 C ATOM 697 C ALA A 48 22.071 20.545 10.666 1.00 0.00 C ATOM 698 O ALA A 48 21.156 20.667 9.850 1.00 0.00 O ATOM 699 CB ALA A 48 22.763 18.260 11.427 1.00 0.00 C ATOM 0 H ALA A 48 24.911 19.443 11.590 1.00 0.00 H new ATOM 0 HA ALA A 48 23.094 19.085 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.763 17.897 11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.486 17.459 11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.792 18.583 12.468 1.00 0.00 H new ATOM 705 N GLU A 49 22.245 21.363 11.699 1.00 0.00 N ATOM 706 CA GLU A 49 21.381 22.518 11.943 1.00 0.00 C ATOM 707 C GLU A 49 21.402 23.483 10.758 1.00 0.00 C ATOM 708 O GLU A 49 20.384 24.076 10.400 1.00 0.00 O ATOM 709 CB GLU A 49 21.854 23.257 13.195 1.00 0.00 C ATOM 710 CG GLU A 49 21.750 22.442 14.471 1.00 0.00 C ATOM 711 CD GLU A 49 20.336 22.376 15.003 1.00 0.00 C ATOM 712 OE1 GLU A 49 19.547 21.542 14.529 1.00 0.00 O ATOM 713 OE2 GLU A 49 20.008 23.163 15.916 1.00 0.00 O ATOM 0 H GLU A 49 22.986 21.247 12.390 1.00 0.00 H new ATOM 0 HA GLU A 49 20.362 22.155 12.080 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.891 23.561 13.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.267 24.168 13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.111 21.431 14.283 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.400 22.877 15.230 1.00 0.00 H new ATOM 720 N LYS A 50 22.572 23.629 10.156 1.00 0.00 N ATOM 721 CA LYS A 50 22.767 24.590 9.081 1.00 0.00 C ATOM 722 C LYS A 50 22.403 23.988 7.727 1.00 0.00 C ATOM 723 O LYS A 50 22.059 24.706 6.788 1.00 0.00 O ATOM 724 CB LYS A 50 24.214 25.087 9.099 1.00 0.00 C ATOM 725 CG LYS A 50 24.552 25.834 10.380 1.00 0.00 C ATOM 726 CD LYS A 50 26.030 26.165 10.486 1.00 0.00 C ATOM 727 CE LYS A 50 26.317 26.964 11.748 1.00 0.00 C ATOM 728 NZ LYS A 50 27.765 27.243 11.923 1.00 0.00 N ATOM 0 H LYS A 50 23.405 23.091 10.395 1.00 0.00 H new ATOM 0 HA LYS A 50 22.101 25.438 9.240 1.00 0.00 H new ATOM 0 HB2 LYS A 50 24.889 24.238 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.381 25.742 8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.972 26.756 10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.255 25.231 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 50 26.614 25.244 10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.343 26.734 9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 50 25.770 27.906 11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 50 25.948 26.415 12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.910 27.789 12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.286 26.345 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.114 27.790 11.110 1.00 0.00 H new ATOM 742 N ALA A 51 22.468 22.669 7.635 1.00 0.00 N ATOM 743 CA ALA A 51 22.057 21.969 6.429 1.00 0.00 C ATOM 744 C ALA A 51 20.538 21.847 6.375 1.00 0.00 C ATOM 745 O ALA A 51 19.939 21.853 5.299 1.00 0.00 O ATOM 746 CB ALA A 51 22.706 20.594 6.366 1.00 0.00 C ATOM 0 H ALA A 51 22.802 22.061 8.383 1.00 0.00 H new ATOM 0 HA ALA A 51 22.387 22.545 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.388 20.083 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 51 23.790 20.703 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.405 20.009 7.235 1.00 0.00 H new ATOM 752 N GLY A 52 19.921 21.747 7.546 1.00 0.00 N ATOM 753 CA GLY A 52 18.480 21.627 7.621 1.00 0.00 C ATOM 754 C GLY A 52 18.042 20.211 7.928 1.00 0.00 C ATOM 755 O GLY A 52 16.956 19.785 7.534 1.00 0.00 O ATOM 0 H GLY A 52 20.397 21.747 8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.100 22.298 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.040 21.945 6.676 1.00 0.00 H new ATOM 759 N VAL A 53 18.891 19.481 8.638 1.00 0.00 N ATOM 760 CA VAL A 53 18.600 18.104 9.001 1.00 0.00 C ATOM 761 C VAL A 53 17.820 18.057 10.309 1.00 0.00 C ATOM 762 O VAL A 53 18.378 18.266 11.386 1.00 0.00 O ATOM 763 CB VAL A 53 19.893 17.269 9.138 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.573 15.821 9.476 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.717 17.352 7.861 1.00 0.00 C ATOM 0 H VAL A 53 19.791 19.823 8.975 1.00 0.00 H new ATOM 0 HA VAL A 53 17.998 17.673 8.201 1.00 0.00 H new ATOM 0 HB VAL A 53 20.480 17.684 9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.500 15.255 9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 53 19.029 15.779 10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.961 15.389 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.624 16.758 7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.133 16.966 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.985 18.391 7.668 1.00 0.00 H new ATOM 775 N LYS A 54 16.525 17.808 10.204 1.00 0.00 N ATOM 776 CA LYS A 54 15.654 17.772 11.370 1.00 0.00 C ATOM 777 C LYS A 54 15.392 16.333 11.801 1.00 0.00 C ATOM 778 O LYS A 54 14.990 16.072 12.937 1.00 0.00 O ATOM 779 CB LYS A 54 14.334 18.485 11.060 1.00 0.00 C ATOM 780 CG LYS A 54 14.517 19.924 10.604 1.00 0.00 C ATOM 781 CD LYS A 54 13.192 20.580 10.252 1.00 0.00 C ATOM 782 CE LYS A 54 13.401 21.988 9.719 1.00 0.00 C ATOM 783 NZ LYS A 54 12.117 22.660 9.381 1.00 0.00 N ATOM 0 H LYS A 54 16.051 17.627 9.319 1.00 0.00 H new ATOM 0 HA LYS A 54 16.150 18.289 12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.804 17.931 10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.704 18.471 11.950 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.007 20.495 11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.176 19.949 9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.672 19.979 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.554 20.613 11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.934 22.580 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.032 21.948 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.310 23.617 9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.619 22.110 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.523 22.723 10.233 1.00 0.00 H new ATOM 797 N SER A 55 15.613 15.400 10.891 1.00 0.00 N ATOM 798 CA SER A 55 15.416 13.988 11.176 1.00 0.00 C ATOM 799 C SER A 55 16.375 13.140 10.348 1.00 0.00 C ATOM 800 O SER A 55 17.007 13.638 9.418 1.00 0.00 O ATOM 801 CB SER A 55 13.967 13.592 10.880 1.00 0.00 C ATOM 802 OG SER A 55 13.060 14.397 11.615 1.00 0.00 O ATOM 0 H SER A 55 15.931 15.596 9.942 1.00 0.00 H new ATOM 0 HA SER A 55 15.622 13.811 12.232 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.769 13.696 9.813 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.814 12.543 11.132 1.00 0.00 H new ATOM 0 HG SER A 55 12.201 13.932 11.696 1.00 0.00 H new ATOM 808 N VAL A 56 16.498 11.872 10.703 1.00 0.00 N ATOM 809 CA VAL A 56 17.327 10.946 9.948 1.00 0.00 C ATOM 810 C VAL A 56 16.536 9.686 9.602 1.00 0.00 C ATOM 811 O VAL A 56 15.665 9.260 10.370 1.00 0.00 O ATOM 812 CB VAL A 56 18.615 10.559 10.715 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.540 11.759 10.855 1.00 0.00 C ATOM 814 CG2 VAL A 56 18.283 9.979 12.083 1.00 0.00 C ATOM 0 H VAL A 56 16.033 11.459 11.511 1.00 0.00 H new ATOM 0 HA VAL A 56 17.625 11.455 9.032 1.00 0.00 H new ATOM 0 HB VAL A 56 19.131 9.792 10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.439 11.464 11.397 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.816 12.123 9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 56 19.029 12.550 11.403 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.206 9.716 12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.737 10.718 12.669 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.668 9.087 11.961 1.00 0.00 H new ATOM 824 N PRO A 57 16.818 9.072 8.443 1.00 0.00 N ATOM 825 CA PRO A 57 17.839 9.556 7.510 1.00 0.00 C ATOM 826 C PRO A 57 17.367 10.748 6.673 1.00 0.00 C ATOM 827 O PRO A 57 16.172 10.927 6.440 1.00 0.00 O ATOM 828 CB PRO A 57 18.095 8.341 6.621 1.00 0.00 C ATOM 829 CG PRO A 57 16.806 7.593 6.617 1.00 0.00 C ATOM 830 CD PRO A 57 16.160 7.846 7.955 1.00 0.00 C ATOM 0 HA PRO A 57 18.724 9.923 8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.381 8.642 5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.907 7.728 7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.163 7.933 5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.976 6.527 6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.083 7.982 7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.316 7.011 8.638 1.00 0.00 H new ATOM 838 N ALA A 58 18.316 11.559 6.228 1.00 0.00 N ATOM 839 CA ALA A 58 18.010 12.736 5.432 1.00 0.00 C ATOM 840 C ALA A 58 18.913 12.812 4.209 1.00 0.00 C ATOM 841 O ALA A 58 20.135 12.695 4.320 1.00 0.00 O ATOM 842 CB ALA A 58 18.156 13.996 6.271 1.00 0.00 C ATOM 0 H ALA A 58 19.311 11.421 6.407 1.00 0.00 H new ATOM 0 HA ALA A 58 16.977 12.657 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.923 14.869 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.470 13.952 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.180 14.072 6.638 1.00 0.00 H new ATOM 848 N LEU A 59 18.304 13.001 3.051 1.00 0.00 N ATOM 849 CA LEU A 59 19.036 13.111 1.801 1.00 0.00 C ATOM 850 C LEU A 59 19.148 14.575 1.383 1.00 0.00 C ATOM 851 O LEU A 59 18.170 15.193 0.967 1.00 0.00 O ATOM 852 CB LEU A 59 18.333 12.299 0.709 1.00 0.00 C ATOM 853 CG LEU A 59 19.019 12.296 -0.657 1.00 0.00 C ATOM 854 CD1 LEU A 59 20.391 11.645 -0.569 1.00 0.00 C ATOM 855 CD2 LEU A 59 18.150 11.583 -1.680 1.00 0.00 C ATOM 0 H LEU A 59 17.292 13.082 2.951 1.00 0.00 H new ATOM 0 HA LEU A 59 20.040 12.712 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.240 11.268 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.322 12.687 0.587 1.00 0.00 H new ATOM 0 HG LEU A 59 19.156 13.329 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 59 20.861 11.654 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 59 21.012 12.199 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 59 20.284 10.616 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.650 11.588 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.984 10.554 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.192 12.096 -1.764 1.00 0.00 H new ATOM 867 N VAL A 60 20.341 15.124 1.516 1.00 0.00 N ATOM 868 CA VAL A 60 20.594 16.513 1.177 1.00 0.00 C ATOM 869 C VAL A 60 21.216 16.611 -0.211 1.00 0.00 C ATOM 870 O VAL A 60 22.417 16.401 -0.384 1.00 0.00 O ATOM 871 CB VAL A 60 21.524 17.186 2.212 1.00 0.00 C ATOM 872 CG1 VAL A 60 21.714 18.662 1.896 1.00 0.00 C ATOM 873 CG2 VAL A 60 20.978 17.006 3.620 1.00 0.00 C ATOM 0 H VAL A 60 21.160 14.622 1.861 1.00 0.00 H new ATOM 0 HA VAL A 60 19.638 17.036 1.186 1.00 0.00 H new ATOM 0 HB VAL A 60 22.498 16.701 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.372 19.111 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.158 18.768 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 60 20.748 19.166 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 60 21.647 17.487 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.989 17.459 3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.906 15.943 3.849 1.00 0.00 H new ATOM 883 N ILE A 61 20.393 16.913 -1.200 1.00 0.00 N ATOM 884 CA ILE A 61 20.855 17.005 -2.576 1.00 0.00 C ATOM 885 C ILE A 61 21.204 18.446 -2.924 1.00 0.00 C ATOM 886 O ILE A 61 20.332 19.317 -2.924 1.00 0.00 O ATOM 887 CB ILE A 61 19.794 16.475 -3.566 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.426 15.029 -3.216 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.305 16.568 -4.999 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.348 14.441 -4.102 1.00 0.00 C ATOM 0 H ILE A 61 19.398 17.099 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 61 21.747 16.384 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 61 18.899 17.092 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.320 14.409 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.092 14.990 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.544 16.190 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.525 17.608 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.212 15.972 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.142 13.416 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.439 15.036 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.686 14.447 -5.138 1.00 0.00 H new ATOM 902 N ASP A 62 22.495 18.685 -3.173 1.00 0.00 N ATOM 903 CA ASP A 62 23.030 20.010 -3.536 1.00 0.00 C ATOM 904 C ASP A 62 22.985 20.991 -2.359 1.00 0.00 C ATOM 905 O ASP A 62 23.807 21.905 -2.271 1.00 0.00 O ATOM 906 CB ASP A 62 22.287 20.598 -4.744 1.00 0.00 C ATOM 907 CG ASP A 62 22.881 21.916 -5.213 1.00 0.00 C ATOM 908 OD1 ASP A 62 23.848 21.892 -6.006 1.00 0.00 O ATOM 909 OD2 ASP A 62 22.387 22.984 -4.795 1.00 0.00 O ATOM 0 H ASP A 62 23.210 17.959 -3.129 1.00 0.00 H new ATOM 0 HA ASP A 62 24.075 19.862 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 62 22.311 19.881 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.239 20.749 -4.483 1.00 0.00 H new ATOM 914 N GLY A 63 22.042 20.783 -1.451 1.00 0.00 N ATOM 915 CA GLY A 63 21.869 21.680 -0.327 1.00 0.00 C ATOM 916 C GLY A 63 20.467 21.617 0.245 1.00 0.00 C ATOM 917 O GLY A 63 20.218 22.097 1.352 1.00 0.00 O ATOM 0 H GLY A 63 21.388 20.001 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.589 21.427 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.085 22.701 -0.642 1.00 0.00 H new ATOM 921 N ALA A 64 19.545 21.027 -0.510 1.00 0.00 N ATOM 922 CA ALA A 64 18.170 20.865 -0.054 1.00 0.00 C ATOM 923 C ALA A 64 18.008 19.543 0.686 1.00 0.00 C ATOM 924 O ALA A 64 18.472 18.503 0.219 1.00 0.00 O ATOM 925 CB ALA A 64 17.208 20.940 -1.231 1.00 0.00 C ATOM 0 H ALA A 64 19.726 20.653 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 64 17.935 21.676 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.186 20.817 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.307 21.909 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.441 20.148 -1.943 1.00 0.00 H new ATOM 931 N ALA A 65 17.351 19.585 1.836 1.00 0.00 N ATOM 932 CA ALA A 65 17.229 18.409 2.688 1.00 0.00 C ATOM 933 C ALA A 65 15.900 17.686 2.477 1.00 0.00 C ATOM 934 O ALA A 65 14.827 18.229 2.752 1.00 0.00 O ATOM 935 CB ALA A 65 17.389 18.802 4.149 1.00 0.00 C ATOM 0 H ALA A 65 16.894 20.420 2.201 1.00 0.00 H new ATOM 0 HA ALA A 65 18.025 17.718 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.296 17.916 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.370 19.252 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.615 19.521 4.419 1.00 0.00 H new ATOM 941 N PHE A 66 15.985 16.461 1.980 1.00 0.00 N ATOM 942 CA PHE A 66 14.817 15.611 1.813 1.00 0.00 C ATOM 943 C PHE A 66 14.933 14.398 2.728 1.00 0.00 C ATOM 944 O PHE A 66 15.718 13.490 2.470 1.00 0.00 O ATOM 945 CB PHE A 66 14.682 15.156 0.357 1.00 0.00 C ATOM 946 CG PHE A 66 14.595 16.287 -0.625 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.396 16.946 -0.839 1.00 0.00 C ATOM 948 CD2 PHE A 66 15.715 16.688 -1.337 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.316 17.986 -1.745 1.00 0.00 C ATOM 950 CE2 PHE A 66 15.640 17.727 -2.242 1.00 0.00 C ATOM 951 CZ PHE A 66 14.439 18.376 -2.448 1.00 0.00 C ATOM 0 H PHE A 66 16.861 16.031 1.683 1.00 0.00 H new ATOM 0 HA PHE A 66 13.928 16.183 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 66 15.537 14.530 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.792 14.535 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.515 16.644 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 66 16.656 16.182 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.376 18.494 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.520 18.032 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.378 19.188 -3.158 1.00 0.00 H new ATOM 961 N HIS A 67 14.168 14.401 3.806 1.00 0.00 N ATOM 962 CA HIS A 67 14.216 13.323 4.786 1.00 0.00 C ATOM 963 C HIS A 67 13.579 12.063 4.220 1.00 0.00 C ATOM 964 O HIS A 67 12.627 12.139 3.446 1.00 0.00 O ATOM 965 CB HIS A 67 13.499 13.742 6.074 1.00 0.00 C ATOM 966 CG HIS A 67 14.072 14.974 6.712 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.672 16.255 6.405 1.00 0.00 N ATOM 968 CD2 HIS A 67 15.033 15.101 7.659 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.386 17.102 7.157 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.228 16.453 7.937 1.00 0.00 N ATOM 0 H HIS A 67 13.502 15.141 4.028 1.00 0.00 H new ATOM 0 HA HIS A 67 15.260 13.113 5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.446 13.915 5.853 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.544 12.920 6.788 1.00 0.00 H new ATOM 0 HD1 HIS A 67 12.957 16.513 5.724 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.564 14.284 8.125 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.285 18.177 7.128 1.00 0.00 H new ATOM 978 N ILE A 68 14.111 10.913 4.594 1.00 0.00 N ATOM 979 CA ILE A 68 13.579 9.642 4.130 1.00 0.00 C ATOM 980 C ILE A 68 12.886 8.926 5.281 1.00 0.00 C ATOM 981 O ILE A 68 13.550 8.361 6.154 1.00 0.00 O ATOM 982 CB ILE A 68 14.688 8.735 3.548 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.436 9.451 2.417 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.102 7.419 3.048 1.00 0.00 C ATOM 985 CD1 ILE A 68 14.555 9.852 1.249 1.00 0.00 C ATOM 0 H ILE A 68 14.913 10.832 5.219 1.00 0.00 H new ATOM 0 HA ILE A 68 12.864 9.850 3.334 1.00 0.00 H new ATOM 0 HB ILE A 68 15.398 8.515 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 68 15.915 10.343 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.231 8.800 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.900 6.796 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.620 6.898 3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.367 7.621 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 68 15.159 10.352 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.096 8.963 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.775 10.530 1.597 1.00 0.00 H new ATOM 997 N ASN A 69 11.555 8.972 5.283 1.00 0.00 N ATOM 998 CA ASN A 69 10.755 8.412 6.374 1.00 0.00 C ATOM 999 C ASN A 69 11.051 9.156 7.676 1.00 0.00 C ATOM 1000 O ASN A 69 11.594 10.261 7.656 1.00 0.00 O ATOM 1001 CB ASN A 69 11.027 6.908 6.547 1.00 0.00 C ATOM 1002 CG ASN A 69 10.517 6.072 5.390 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.520 6.409 4.749 1.00 0.00 O ATOM 1004 ND2 ASN A 69 11.197 4.970 5.117 1.00 0.00 N ATOM 0 H ASN A 69 11.003 9.394 4.536 1.00 0.00 H new ATOM 0 HA ASN A 69 9.702 8.537 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.100 6.750 6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.559 6.564 7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.901 4.364 4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.017 4.726 5.672 1.00 0.00 H new ATOM 1011 N PHE A 70 10.676 8.567 8.802 1.00 0.00 N ATOM 1012 CA PHE A 70 10.982 9.155 10.094 1.00 0.00 C ATOM 1013 C PHE A 70 11.490 8.084 11.047 1.00 0.00 C ATOM 1014 O PHE A 70 10.704 7.371 11.675 1.00 0.00 O ATOM 1015 CB PHE A 70 9.748 9.853 10.683 1.00 0.00 C ATOM 1016 CG PHE A 70 10.031 10.600 11.959 1.00 0.00 C ATOM 1017 CD1 PHE A 70 10.560 11.880 11.925 1.00 0.00 C ATOM 1018 CD2 PHE A 70 9.772 10.021 13.193 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.825 12.568 13.093 1.00 0.00 C ATOM 1020 CE2 PHE A 70 10.035 10.705 14.364 1.00 0.00 C ATOM 1021 CZ PHE A 70 10.563 11.980 14.314 1.00 0.00 C ATOM 0 H PHE A 70 10.162 7.687 8.846 1.00 0.00 H new ATOM 0 HA PHE A 70 11.761 9.904 9.956 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.348 10.549 9.946 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.975 9.108 10.871 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.768 12.346 10.973 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.360 9.024 13.239 1.00 0.00 H new ATOM 0 HE1 PHE A 70 11.237 13.565 13.051 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.828 10.243 15.318 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.771 12.516 15.228 1.00 0.00 H new ATOM 1031 N GLY A 71 12.804 7.940 11.114 1.00 0.00 N ATOM 1032 CA GLY A 71 13.393 6.996 12.037 1.00 0.00 C ATOM 1033 C GLY A 71 13.662 7.639 13.378 1.00 0.00 C ATOM 1034 O GLY A 71 13.095 7.240 14.397 1.00 0.00 O ATOM 0 H GLY A 71 13.472 8.460 10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.725 6.145 12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.324 6.610 11.622 1.00 0.00 H new ATOM 1038 N ALA A 72 14.520 8.645 13.370 1.00 0.00 N ATOM 1039 CA ALA A 72 14.843 9.387 14.574 1.00 0.00 C ATOM 1040 C ALA A 72 14.943 10.873 14.264 1.00 0.00 C ATOM 1041 O ALA A 72 15.397 11.255 13.184 1.00 0.00 O ATOM 1042 CB ALA A 72 16.142 8.879 15.182 1.00 0.00 C ATOM 0 H ALA A 72 15.008 8.968 12.535 1.00 0.00 H new ATOM 0 HA ALA A 72 14.045 9.236 15.301 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.368 9.447 16.084 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.037 7.824 15.435 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.952 9.001 14.463 1.00 0.00 H new ATOM 1048 N GLY A 73 14.511 11.704 15.197 1.00 0.00 N ATOM 1049 CA GLY A 73 14.616 13.135 15.013 1.00 0.00 C ATOM 1050 C GLY A 73 15.864 13.685 15.667 1.00 0.00 C ATOM 1051 O GLY A 73 16.292 13.180 16.705 1.00 0.00 O ATOM 0 H GLY A 73 14.089 11.414 16.079 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.629 13.366 13.948 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.737 13.623 15.434 1.00 0.00 H new ATOM 1055 N ILE A 74 16.449 14.722 15.078 1.00 0.00 N ATOM 1056 CA ILE A 74 17.668 15.312 15.624 1.00 0.00 C ATOM 1057 C ILE A 74 17.380 15.942 16.986 1.00 0.00 C ATOM 1058 O ILE A 74 18.259 16.043 17.840 1.00 0.00 O ATOM 1059 CB ILE A 74 18.277 16.362 14.662 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.664 16.798 15.145 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.359 17.569 14.527 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.346 17.786 14.223 1.00 0.00 C ATOM 0 H ILE A 74 16.103 15.169 14.229 1.00 0.00 H new ATOM 0 HA ILE A 74 18.401 14.514 15.745 1.00 0.00 H new ATOM 0 HB ILE A 74 18.382 15.900 13.681 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.571 17.243 16.135 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.296 15.916 15.250 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.807 18.293 13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.394 17.250 14.133 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.217 18.029 15.505 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.323 18.049 14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.472 17.337 13.238 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.735 18.685 14.137 1.00 0.00 H new ATOM 1074 N ASP A 75 16.123 16.334 17.181 1.00 0.00 N ATOM 1075 CA ASP A 75 15.661 16.904 18.443 1.00 0.00 C ATOM 1076 C ASP A 75 15.852 15.926 19.590 1.00 0.00 C ATOM 1077 O ASP A 75 16.135 16.325 20.718 1.00 0.00 O ATOM 1078 CB ASP A 75 14.181 17.271 18.343 1.00 0.00 C ATOM 1079 CG ASP A 75 13.925 18.437 17.418 1.00 0.00 C ATOM 1080 OD1 ASP A 75 14.144 18.298 16.199 1.00 0.00 O ATOM 1081 OD2 ASP A 75 13.489 19.498 17.908 1.00 0.00 O ATOM 0 H ASP A 75 15.397 16.265 16.468 1.00 0.00 H new ATOM 0 HA ASP A 75 16.253 17.798 18.640 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.620 16.405 17.991 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.804 17.513 19.337 1.00 0.00 H new ATOM 1086 N ASP A 76 15.705 14.643 19.288 1.00 0.00 N ATOM 1087 CA ASP A 76 15.805 13.594 20.296 1.00 0.00 C ATOM 1088 C ASP A 76 17.241 13.460 20.789 1.00 0.00 C ATOM 1089 O ASP A 76 17.486 13.173 21.960 1.00 0.00 O ATOM 1090 CB ASP A 76 15.323 12.262 19.716 1.00 0.00 C ATOM 1091 CG ASP A 76 15.306 11.147 20.741 1.00 0.00 C ATOM 1092 OD1 ASP A 76 14.321 11.063 21.509 1.00 0.00 O ATOM 1093 OD2 ASP A 76 16.261 10.345 20.772 1.00 0.00 O ATOM 0 H ASP A 76 15.515 14.301 18.346 1.00 0.00 H new ATOM 0 HA ASP A 76 15.172 13.864 21.141 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.320 12.390 19.309 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.970 11.977 18.886 1.00 0.00 H new ATOM 1098 N LEU A 77 18.184 13.698 19.886 1.00 0.00 N ATOM 1099 CA LEU A 77 19.602 13.606 20.208 1.00 0.00 C ATOM 1100 C LEU A 77 20.051 14.820 21.014 1.00 0.00 C ATOM 1101 O LEU A 77 21.049 14.766 21.738 1.00 0.00 O ATOM 1102 CB LEU A 77 20.429 13.511 18.921 1.00 0.00 C ATOM 1103 CG LEU A 77 20.072 12.343 17.999 1.00 0.00 C ATOM 1104 CD1 LEU A 77 20.890 12.410 16.718 1.00 0.00 C ATOM 1105 CD2 LEU A 77 20.300 11.017 18.706 1.00 0.00 C ATOM 0 H LEU A 77 17.990 13.958 18.919 1.00 0.00 H new ATOM 0 HA LEU A 77 19.759 12.709 20.807 1.00 0.00 H new ATOM 0 HB2 LEU A 77 20.312 14.441 18.364 1.00 0.00 H new ATOM 0 HB3 LEU A 77 21.482 13.431 19.190 1.00 0.00 H new ATOM 0 HG LEU A 77 19.016 12.418 17.740 1.00 0.00 H new ATOM 0 HD11 LEU A 77 20.625 11.573 16.073 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.681 13.347 16.201 1.00 0.00 H new ATOM 0 HD13 LEU A 77 21.951 12.359 16.961 1.00 0.00 H new ATOM 0 HD21 LEU A 77 20.041 10.198 18.035 1.00 0.00 H new ATOM 0 HD22 LEU A 77 21.348 10.933 18.993 1.00 0.00 H new ATOM 0 HD23 LEU A 77 19.675 10.968 19.597 1.00 0.00 H new ATOM 1117 N LYS A 78 19.300 15.908 20.886 1.00 0.00 N ATOM 1118 CA LYS A 78 19.637 17.163 21.542 1.00 0.00 C ATOM 1119 C LYS A 78 19.308 17.117 23.028 1.00 0.00 C ATOM 1120 O LYS A 78 18.166 17.345 23.434 1.00 0.00 O ATOM 1121 CB LYS A 78 18.897 18.327 20.877 1.00 0.00 C ATOM 1122 CG LYS A 78 19.309 18.561 19.435 1.00 0.00 C ATOM 1123 CD LYS A 78 18.468 19.643 18.781 1.00 0.00 C ATOM 1124 CE LYS A 78 18.930 19.915 17.362 1.00 0.00 C ATOM 1125 NZ LYS A 78 18.116 20.965 16.698 1.00 0.00 N ATOM 0 H LYS A 78 18.447 15.944 20.328 1.00 0.00 H new ATOM 0 HA LYS A 78 20.711 17.316 21.437 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.825 18.134 20.914 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.077 19.237 21.450 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.361 18.845 19.398 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.210 17.633 18.873 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.421 19.339 18.773 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.529 20.559 19.368 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.976 20.222 17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.876 18.994 16.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.365 21.011 15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.106 20.735 16.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.306 21.885 17.144 1.00 0.00 H new ATOM 1177 N ALA B 2 15.670 -2.746 -13.773 1.00 0.00 N ATOM 1178 CA ALA B 2 15.042 -1.461 -13.514 1.00 0.00 C ATOM 1179 C ALA B 2 13.654 -1.651 -12.916 1.00 0.00 C ATOM 1180 O ALA B 2 12.650 -1.656 -13.630 1.00 0.00 O ATOM 1181 CB ALA B 2 14.974 -0.633 -14.789 1.00 0.00 C ATOM 0 HA ALA B 2 15.651 -0.921 -12.789 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.501 0.325 -14.576 1.00 0.00 H new ATOM 0 HB2 ALA B 2 15.982 -0.464 -15.167 1.00 0.00 H new ATOM 0 HB3 ALA B 2 14.390 -1.167 -15.539 1.00 0.00 H new ATOM 1187 N SER B 3 13.615 -1.842 -11.605 1.00 0.00 N ATOM 1188 CA SER B 3 12.366 -2.038 -10.884 1.00 0.00 C ATOM 1189 C SER B 3 11.470 -0.805 -10.989 1.00 0.00 C ATOM 1190 O SER B 3 11.950 0.307 -11.218 1.00 0.00 O ATOM 1191 CB SER B 3 12.670 -2.347 -9.419 1.00 0.00 C ATOM 1192 OG SER B 3 13.609 -3.404 -9.313 1.00 0.00 O ATOM 0 H SER B 3 14.445 -1.865 -11.013 1.00 0.00 H new ATOM 0 HA SER B 3 11.832 -2.876 -11.332 1.00 0.00 H new ATOM 0 HB2 SER B 3 13.061 -1.456 -8.928 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.750 -2.618 -8.901 1.00 0.00 H new ATOM 0 HG SER B 3 13.792 -3.586 -8.367 1.00 0.00 H new ATOM 1198 N LYS B 4 10.171 -1.007 -10.830 1.00 0.00 N ATOM 1199 CA LYS B 4 9.216 0.085 -10.928 1.00 0.00 C ATOM 1200 C LYS B 4 9.258 0.963 -9.680 1.00 0.00 C ATOM 1201 O LYS B 4 8.968 0.507 -8.576 1.00 0.00 O ATOM 1202 CB LYS B 4 7.803 -0.459 -11.139 1.00 0.00 C ATOM 1203 CG LYS B 4 6.737 0.624 -11.193 1.00 0.00 C ATOM 1204 CD LYS B 4 5.353 0.043 -11.424 1.00 0.00 C ATOM 1205 CE LYS B 4 4.938 -0.882 -10.292 1.00 0.00 C ATOM 1206 NZ LYS B 4 3.573 -1.426 -10.499 1.00 0.00 N ATOM 0 H LYS B 4 9.754 -1.917 -10.633 1.00 0.00 H new ATOM 0 HA LYS B 4 9.492 0.697 -11.787 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.777 -1.030 -12.067 1.00 0.00 H new ATOM 0 HB3 LYS B 4 7.565 -1.152 -10.332 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.744 1.187 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.974 1.327 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.629 0.852 -11.517 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.341 -0.506 -12.366 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.649 -1.704 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.974 -0.340 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.325 -2.052 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.891 -0.643 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.545 -1.965 -11.388 1.00 0.00 H new ATOM 1220 N ALA B 5 9.623 2.219 -9.870 1.00 0.00 N ATOM 1221 CA ALA B 5 9.660 3.182 -8.785 1.00 0.00 C ATOM 1222 C ALA B 5 8.517 4.178 -8.946 1.00 0.00 C ATOM 1223 O ALA B 5 8.554 5.037 -9.823 1.00 0.00 O ATOM 1224 CB ALA B 5 11.003 3.897 -8.761 1.00 0.00 C ATOM 0 H ALA B 5 9.900 2.598 -10.776 1.00 0.00 H new ATOM 0 HA ALA B 5 9.538 2.661 -7.835 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.017 4.617 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.801 3.168 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.154 4.419 -9.706 1.00 0.00 H new ATOM 1230 N ILE B 6 7.505 4.054 -8.101 1.00 0.00 N ATOM 1231 CA ILE B 6 6.307 4.872 -8.228 1.00 0.00 C ATOM 1232 C ILE B 6 6.386 6.091 -7.319 1.00 0.00 C ATOM 1233 O ILE B 6 6.417 5.972 -6.098 1.00 0.00 O ATOM 1234 CB ILE B 6 5.032 4.078 -7.872 1.00 0.00 C ATOM 1235 CG1 ILE B 6 4.987 2.755 -8.637 1.00 0.00 C ATOM 1236 CG2 ILE B 6 3.796 4.909 -8.189 1.00 0.00 C ATOM 1237 CD1 ILE B 6 3.797 1.891 -8.279 1.00 0.00 C ATOM 0 H ILE B 6 7.488 3.397 -7.321 1.00 0.00 H new ATOM 0 HA ILE B 6 6.252 5.186 -9.270 1.00 0.00 H new ATOM 0 HB ILE B 6 5.049 3.857 -6.805 1.00 0.00 H new ATOM 0 HG12 ILE B 6 4.966 2.963 -9.707 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.903 2.198 -8.439 1.00 0.00 H new ATOM 0 HG21 ILE B 6 2.901 4.341 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.818 5.831 -7.608 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.783 5.151 -9.252 1.00 0.00 H new ATOM 0 HD11 ILE B 6 3.829 0.969 -8.859 1.00 0.00 H new ATOM 0 HD12 ILE B 6 3.828 1.652 -7.216 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.876 2.429 -8.504 1.00 0.00 H new ATOM 1249 N PHE B 7 6.416 7.264 -7.924 1.00 0.00 N ATOM 1250 CA PHE B 7 6.477 8.503 -7.167 1.00 0.00 C ATOM 1251 C PHE B 7 5.071 9.060 -6.966 1.00 0.00 C ATOM 1252 O PHE B 7 4.471 9.602 -7.892 1.00 0.00 O ATOM 1253 CB PHE B 7 7.368 9.520 -7.888 1.00 0.00 C ATOM 1254 CG PHE B 7 7.559 10.807 -7.136 1.00 0.00 C ATOM 1255 CD1 PHE B 7 8.154 10.813 -5.884 1.00 0.00 C ATOM 1256 CD2 PHE B 7 7.152 12.012 -7.683 1.00 0.00 C ATOM 1257 CE1 PHE B 7 8.335 11.995 -5.194 1.00 0.00 C ATOM 1258 CE2 PHE B 7 7.331 13.198 -6.997 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.923 13.189 -5.750 1.00 0.00 C ATOM 0 H PHE B 7 6.399 7.386 -8.937 1.00 0.00 H new ATOM 0 HA PHE B 7 6.912 8.302 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.344 9.069 -8.069 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.933 9.742 -8.863 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.480 9.882 -5.443 1.00 0.00 H new ATOM 0 HD2 PHE B 7 6.689 12.025 -8.658 1.00 0.00 H new ATOM 0 HE1 PHE B 7 8.799 11.985 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE B 7 7.008 14.131 -7.436 1.00 0.00 H new ATOM 0 HZ PHE B 7 8.063 14.114 -5.211 1.00 0.00 H new ATOM 1269 N TYR B 8 4.549 8.892 -5.759 1.00 0.00 N ATOM 1270 CA TYR B 8 3.221 9.385 -5.418 1.00 0.00 C ATOM 1271 C TYR B 8 3.317 10.730 -4.722 1.00 0.00 C ATOM 1272 O TYR B 8 3.825 10.823 -3.606 1.00 0.00 O ATOM 1273 CB TYR B 8 2.485 8.399 -4.506 1.00 0.00 C ATOM 1274 CG TYR B 8 1.591 7.421 -5.235 1.00 0.00 C ATOM 1275 CD1 TYR B 8 0.369 7.831 -5.754 1.00 0.00 C ATOM 1276 CD2 TYR B 8 1.958 6.091 -5.395 1.00 0.00 C ATOM 1277 CE1 TYR B 8 -0.462 6.945 -6.410 1.00 0.00 C ATOM 1278 CE2 TYR B 8 1.132 5.199 -6.053 1.00 0.00 C ATOM 1279 CZ TYR B 8 -0.077 5.631 -6.558 1.00 0.00 C ATOM 1280 OH TYR B 8 -0.902 4.745 -7.215 1.00 0.00 O ATOM 0 H TYR B 8 5.028 8.415 -4.995 1.00 0.00 H new ATOM 0 HA TYR B 8 2.661 9.494 -6.347 1.00 0.00 H new ATOM 0 HB2 TYR B 8 3.220 7.839 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.882 8.962 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.064 8.861 -5.642 1.00 0.00 H new ATOM 0 HD2 TYR B 8 2.903 5.749 -4.999 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -1.409 7.281 -6.805 1.00 0.00 H new ATOM 0 HE2 TYR B 8 1.432 4.168 -6.171 1.00 0.00 H new ATOM 0 HH TYR B 8 -0.482 3.860 -7.234 1.00 0.00 H new ATOM 1290 N HIS B 9 2.831 11.772 -5.372 1.00 0.00 N ATOM 1291 CA HIS B 9 2.832 13.097 -4.774 1.00 0.00 C ATOM 1292 C HIS B 9 1.478 13.765 -4.964 1.00 0.00 C ATOM 1293 O HIS B 9 0.748 13.438 -5.898 1.00 0.00 O ATOM 1294 CB HIS B 9 3.960 13.965 -5.352 1.00 0.00 C ATOM 1295 CG HIS B 9 3.843 14.263 -6.819 1.00 0.00 C ATOM 1296 ND1 HIS B 9 3.708 15.551 -7.273 1.00 0.00 N ATOM 1297 CD2 HIS B 9 3.885 13.423 -7.880 1.00 0.00 C ATOM 1298 CE1 HIS B 9 3.674 15.469 -8.588 1.00 0.00 C ATOM 1299 NE2 HIS B 9 3.783 14.199 -9.007 1.00 0.00 N ATOM 0 H HIS B 9 2.432 11.728 -6.310 1.00 0.00 H new ATOM 0 HA HIS B 9 3.015 12.989 -3.705 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.988 14.908 -4.806 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.911 13.464 -5.173 1.00 0.00 H new ATOM 0 HD2 HIS B 9 3.981 12.348 -7.846 1.00 0.00 H new ATOM 0 HE1 HIS B 9 3.571 16.319 -9.247 1.00 0.00 H new ATOM 0 HE2 HIS B 9 3.789 13.874 -9.974 1.00 0.00 H new ATOM 1307 N ALA B 10 1.140 14.680 -4.066 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.154 15.343 -4.101 1.00 0.00 C ATOM 1309 C ALA B 10 -0.139 16.631 -3.291 1.00 0.00 C ATOM 1310 O ALA B 10 -0.588 16.658 -2.147 1.00 0.00 O ATOM 1311 CB ALA B 10 -1.245 14.415 -3.586 1.00 0.00 C ATOM 0 H ALA B 10 1.747 14.980 -3.303 1.00 0.00 H new ATOM 0 HA ALA B 10 -0.366 15.597 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -2.206 14.929 -3.620 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.288 13.523 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -1.023 14.128 -2.558 1.00 0.00 H new ATOM 1317 N GLY B 11 0.431 17.677 -3.863 1.00 0.00 N ATOM 1318 CA GLY B 11 0.370 18.979 -3.258 1.00 0.00 C ATOM 1319 C GLY B 11 0.932 20.023 -4.186 1.00 0.00 C ATOM 1320 O GLY B 11 0.320 20.345 -5.201 1.00 0.00 O ATOM 0 H GLY B 11 0.940 17.641 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -0.663 19.223 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY B 11 0.929 18.978 -2.323 1.00 0.00 H new ATOM 1324 N CYS B 12 2.126 20.485 -3.866 1.00 0.00 N ATOM 1325 CA CYS B 12 2.818 21.517 -4.643 1.00 0.00 C ATOM 1326 C CYS B 12 4.260 21.723 -4.149 1.00 0.00 C ATOM 1327 O CYS B 12 5.203 21.414 -4.878 1.00 0.00 O ATOM 1328 CB CYS B 12 2.062 22.864 -4.634 1.00 0.00 C ATOM 1329 SG CYS B 12 0.746 23.010 -5.866 1.00 0.00 S ATOM 0 H CYS B 12 2.653 20.158 -3.056 1.00 0.00 H new ATOM 0 HA CYS B 12 2.847 21.155 -5.671 1.00 0.00 H new ATOM 0 HB2 CYS B 12 1.631 23.015 -3.644 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.780 23.668 -4.795 1.00 0.00 H new ATOM 0 HG CYS B 12 0.126 21.872 -5.976 1.00 0.00 H new ATOM 1335 N PRO B 13 4.468 22.197 -2.893 1.00 0.00 N ATOM 1336 CA PRO B 13 5.793 22.642 -2.434 1.00 0.00 C ATOM 1337 C PRO B 13 6.838 21.531 -2.446 1.00 0.00 C ATOM 1338 O PRO B 13 7.825 21.603 -3.180 1.00 0.00 O ATOM 1339 CB PRO B 13 5.552 23.122 -0.995 1.00 0.00 C ATOM 1340 CG PRO B 13 4.078 23.310 -0.886 1.00 0.00 C ATOM 1341 CD PRO B 13 3.468 22.304 -1.813 1.00 0.00 C ATOM 0 HA PRO B 13 6.192 23.411 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO B 13 5.910 22.390 -0.271 1.00 0.00 H new ATOM 0 HB3 PRO B 13 6.083 24.053 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO B 13 3.739 23.154 0.138 1.00 0.00 H new ATOM 0 HG3 PRO B 13 3.791 24.324 -1.166 1.00 0.00 H new ATOM 0 HD2 PRO B 13 3.305 21.347 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO B 13 2.501 22.637 -2.190 1.00 0.00 H new ATOM 1349 N VAL B 14 6.613 20.498 -1.644 1.00 0.00 N ATOM 1350 CA VAL B 14 7.587 19.424 -1.507 1.00 0.00 C ATOM 1351 C VAL B 14 7.623 18.571 -2.775 1.00 0.00 C ATOM 1352 O VAL B 14 8.638 17.958 -3.096 1.00 0.00 O ATOM 1353 CB VAL B 14 7.295 18.528 -0.265 1.00 0.00 C ATOM 1354 CG1 VAL B 14 6.405 19.246 0.738 1.00 0.00 C ATOM 1355 CG2 VAL B 14 6.671 17.198 -0.653 1.00 0.00 C ATOM 0 H VAL B 14 5.770 20.382 -1.082 1.00 0.00 H new ATOM 0 HA VAL B 14 8.562 19.887 -1.358 1.00 0.00 H new ATOM 0 HB VAL B 14 8.258 18.324 0.203 1.00 0.00 H new ATOM 0 HG11 VAL B 14 6.220 18.595 1.592 1.00 0.00 H new ATOM 0 HG12 VAL B 14 6.899 20.157 1.076 1.00 0.00 H new ATOM 0 HG13 VAL B 14 5.457 19.502 0.265 1.00 0.00 H new ATOM 0 HG21 VAL B 14 6.485 16.608 0.244 1.00 0.00 H new ATOM 0 HG22 VAL B 14 5.729 17.376 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL B 14 7.350 16.655 -1.310 1.00 0.00 H new ATOM 1365 N CYS B 15 6.514 18.577 -3.508 1.00 0.00 N ATOM 1366 CA CYS B 15 6.341 17.705 -4.663 1.00 0.00 C ATOM 1367 C CYS B 15 7.295 18.074 -5.796 1.00 0.00 C ATOM 1368 O CYS B 15 8.021 17.221 -6.305 1.00 0.00 O ATOM 1369 CB CYS B 15 4.895 17.782 -5.146 1.00 0.00 C ATOM 1370 SG CYS B 15 3.682 17.515 -3.832 1.00 0.00 S ATOM 0 H CYS B 15 5.715 19.183 -3.319 1.00 0.00 H new ATOM 0 HA CYS B 15 6.574 16.685 -4.358 1.00 0.00 H new ATOM 0 HB2 CYS B 15 4.722 18.759 -5.596 1.00 0.00 H new ATOM 0 HB3 CYS B 15 4.741 17.039 -5.928 1.00 0.00 H new ATOM 0 HG CYS B 15 3.835 18.419 -2.910 1.00 0.00 H new ATOM 1376 N VAL B 16 7.300 19.350 -6.171 1.00 0.00 N ATOM 1377 CA VAL B 16 8.123 19.817 -7.279 1.00 0.00 C ATOM 1378 C VAL B 16 9.603 19.543 -7.018 1.00 0.00 C ATOM 1379 O VAL B 16 10.282 18.929 -7.839 1.00 0.00 O ATOM 1380 CB VAL B 16 7.913 21.325 -7.542 1.00 0.00 C ATOM 1381 CG1 VAL B 16 8.782 21.805 -8.695 1.00 0.00 C ATOM 1382 CG2 VAL B 16 6.448 21.617 -7.826 1.00 0.00 C ATOM 0 H VAL B 16 6.743 20.078 -5.723 1.00 0.00 H new ATOM 0 HA VAL B 16 7.811 19.263 -8.164 1.00 0.00 H new ATOM 0 HB VAL B 16 8.210 21.868 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.614 22.870 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.832 21.636 -8.455 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.524 21.254 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.318 22.684 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.129 21.057 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.845 21.320 -6.968 1.00 0.00 H new ATOM 1392 N SER B 17 10.084 19.972 -5.860 1.00 0.00 N ATOM 1393 CA SER B 17 11.490 19.818 -5.512 1.00 0.00 C ATOM 1394 C SER B 17 11.885 18.348 -5.374 1.00 0.00 C ATOM 1395 O SER B 17 12.982 17.959 -5.773 1.00 0.00 O ATOM 1396 CB SER B 17 11.794 20.588 -4.228 1.00 0.00 C ATOM 1397 OG SER B 17 11.578 21.976 -4.423 1.00 0.00 O ATOM 0 H SER B 17 9.520 20.430 -5.144 1.00 0.00 H new ATOM 0 HA SER B 17 12.087 20.232 -6.325 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.160 20.225 -3.419 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.827 20.413 -3.927 1.00 0.00 H new ATOM 0 HG SER B 17 11.775 22.458 -3.592 1.00 0.00 H new ATOM 1403 N ALA B 18 10.994 17.524 -4.830 1.00 0.00 N ATOM 1404 CA ALA B 18 11.269 16.098 -4.691 1.00 0.00 C ATOM 1405 C ALA B 18 11.436 15.449 -6.060 1.00 0.00 C ATOM 1406 O ALA B 18 12.321 14.614 -6.262 1.00 0.00 O ATOM 1407 CB ALA B 18 10.165 15.408 -3.906 1.00 0.00 C ATOM 0 H ALA B 18 10.082 17.817 -4.480 1.00 0.00 H new ATOM 0 HA ALA B 18 12.202 15.985 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.392 14.346 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.094 15.850 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.216 15.533 -4.427 1.00 0.00 H new ATOM 1413 N GLU B 19 10.596 15.852 -7.002 1.00 0.00 N ATOM 1414 CA GLU B 19 10.659 15.330 -8.359 1.00 0.00 C ATOM 1415 C GLU B 19 11.920 15.830 -9.069 1.00 0.00 C ATOM 1416 O GLU B 19 12.587 15.078 -9.778 1.00 0.00 O ATOM 1417 CB GLU B 19 9.411 15.749 -9.141 1.00 0.00 C ATOM 1418 CG GLU B 19 9.279 15.071 -10.496 1.00 0.00 C ATOM 1419 CD GLU B 19 8.157 15.655 -11.330 1.00 0.00 C ATOM 1420 OE1 GLU B 19 7.001 15.205 -11.190 1.00 0.00 O ATOM 1421 OE2 GLU B 19 8.431 16.572 -12.131 1.00 0.00 O ATOM 0 H GLU B 19 9.860 16.542 -6.850 1.00 0.00 H new ATOM 0 HA GLU B 19 10.698 14.242 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU B 19 8.527 15.523 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU B 19 9.430 16.829 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU B 19 10.219 15.166 -11.040 1.00 0.00 H new ATOM 0 HG3 GLU B 19 9.102 14.005 -10.350 1.00 0.00 H new ATOM 1428 N GLN B 20 12.256 17.097 -8.851 1.00 0.00 N ATOM 1429 CA GLN B 20 13.399 17.715 -9.520 1.00 0.00 C ATOM 1430 C GLN B 20 14.730 17.282 -8.906 1.00 0.00 C ATOM 1431 O GLN B 20 15.790 17.531 -9.477 1.00 0.00 O ATOM 1432 CB GLN B 20 13.299 19.240 -9.468 1.00 0.00 C ATOM 1433 CG GLN B 20 12.088 19.807 -10.189 1.00 0.00 C ATOM 1434 CD GLN B 20 12.071 21.322 -10.184 1.00 0.00 C ATOM 1435 OE1 GLN B 20 12.592 21.961 -9.271 1.00 0.00 O ATOM 1436 NE2 GLN B 20 11.462 21.909 -11.200 1.00 0.00 N ATOM 0 H GLN B 20 11.754 17.718 -8.216 1.00 0.00 H new ATOM 0 HA GLN B 20 13.372 17.377 -10.556 1.00 0.00 H new ATOM 0 HB2 GLN B 20 13.269 19.556 -8.425 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.202 19.668 -9.905 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.081 19.450 -11.219 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.179 19.434 -9.716 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.042 21.344 -11.938 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.412 22.927 -11.246 1.00 0.00 H new ATOM 1445 N ALA B 21 14.680 16.652 -7.741 1.00 0.00 N ATOM 1446 CA ALA B 21 15.899 16.234 -7.062 1.00 0.00 C ATOM 1447 C ALA B 21 15.977 14.718 -6.926 1.00 0.00 C ATOM 1448 O ALA B 21 16.811 14.073 -7.559 1.00 0.00 O ATOM 1449 CB ALA B 21 15.997 16.898 -5.697 1.00 0.00 C ATOM 0 H ALA B 21 13.817 16.420 -7.249 1.00 0.00 H new ATOM 0 HA ALA B 21 16.744 16.552 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA B 21 16.913 16.576 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA B 21 16.012 17.981 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.137 16.613 -5.091 1.00 0.00 H new ATOM 1455 N VAL B 22 15.094 14.150 -6.113 1.00 0.00 N ATOM 1456 CA VAL B 22 15.126 12.721 -5.825 1.00 0.00 C ATOM 1457 C VAL B 22 14.777 11.907 -7.068 1.00 0.00 C ATOM 1458 O VAL B 22 15.466 10.943 -7.404 1.00 0.00 O ATOM 1459 CB VAL B 22 14.155 12.353 -4.682 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.293 10.883 -4.308 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.396 13.239 -3.470 1.00 0.00 C ATOM 0 H VAL B 22 14.346 14.658 -5.641 1.00 0.00 H new ATOM 0 HA VAL B 22 16.142 12.480 -5.511 1.00 0.00 H new ATOM 0 HB VAL B 22 13.137 12.520 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.600 10.646 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.065 10.264 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.313 10.685 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.702 12.965 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.420 13.106 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.239 14.282 -3.745 1.00 0.00 H new ATOM 1471 N ALA B 23 13.725 12.321 -7.766 1.00 0.00 N ATOM 1472 CA ALA B 23 13.292 11.630 -8.978 1.00 0.00 C ATOM 1473 C ALA B 23 14.182 11.994 -10.165 1.00 0.00 C ATOM 1474 O ALA B 23 13.992 11.501 -11.274 1.00 0.00 O ATOM 1475 CB ALA B 23 11.834 11.947 -9.279 1.00 0.00 C ATOM 0 H ALA B 23 13.156 13.130 -7.515 1.00 0.00 H new ATOM 0 HA ALA B 23 13.384 10.557 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.528 11.424 -10.185 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.212 11.623 -8.445 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.717 13.021 -9.423 1.00 0.00 H new ATOM 1481 N ASN B 24 15.145 12.871 -9.923 1.00 0.00 N ATOM 1482 CA ASN B 24 16.131 13.226 -10.935 1.00 0.00 C ATOM 1483 C ASN B 24 17.394 12.401 -10.726 1.00 0.00 C ATOM 1484 O ASN B 24 18.102 12.063 -11.677 1.00 0.00 O ATOM 1485 CB ASN B 24 16.453 14.722 -10.869 1.00 0.00 C ATOM 1486 CG ASN B 24 17.443 15.163 -11.933 1.00 0.00 C ATOM 1487 OD1 ASN B 24 18.655 15.145 -11.719 1.00 0.00 O ATOM 1488 ND2 ASN B 24 16.931 15.566 -13.087 1.00 0.00 N ATOM 0 H ASN B 24 15.265 13.352 -9.032 1.00 0.00 H new ATOM 0 HA ASN B 24 15.722 13.010 -11.922 1.00 0.00 H new ATOM 0 HB2 ASN B 24 15.531 15.292 -10.980 1.00 0.00 H new ATOM 0 HB3 ASN B 24 16.857 14.958 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN B 24 17.548 15.876 -13.838 1.00 0.00 H new ATOM 0 HD22 ASN B 24 15.920 15.566 -13.224 1.00 0.00 H new ATOM 1495 N ALA B 25 17.669 12.082 -9.465 1.00 0.00 N ATOM 1496 CA ALA B 25 18.785 11.218 -9.114 1.00 0.00 C ATOM 1497 C ALA B 25 18.474 9.780 -9.503 1.00 0.00 C ATOM 1498 O ALA B 25 19.351 9.041 -9.955 1.00 0.00 O ATOM 1499 CB ALA B 25 19.087 11.318 -7.627 1.00 0.00 C ATOM 0 H ALA B 25 17.128 12.413 -8.666 1.00 0.00 H new ATOM 0 HA ALA B 25 19.668 11.544 -9.663 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.925 10.665 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA B 25 19.343 12.347 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA B 25 18.210 11.013 -7.056 1.00 0.00 H new ATOM 1505 N ILE B 26 17.220 9.390 -9.323 1.00 0.00 N ATOM 1506 CA ILE B 26 16.757 8.083 -9.757 1.00 0.00 C ATOM 1507 C ILE B 26 16.143 8.203 -11.145 1.00 0.00 C ATOM 1508 O ILE B 26 14.939 8.407 -11.291 1.00 0.00 O ATOM 1509 CB ILE B 26 15.720 7.484 -8.781 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.269 7.494 -7.350 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.354 6.064 -9.201 1.00 0.00 C ATOM 1512 CD1 ILE B 26 15.288 6.984 -6.316 1.00 0.00 C ATOM 0 H ILE B 26 16.504 9.964 -8.877 1.00 0.00 H new ATOM 0 HA ILE B 26 17.616 7.412 -9.778 1.00 0.00 H new ATOM 0 HB ILE B 26 14.819 8.097 -8.811 1.00 0.00 H new ATOM 0 HG12 ILE B 26 17.172 6.884 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.561 8.511 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE B 26 14.623 5.655 -8.504 1.00 0.00 H new ATOM 0 HG22 ILE B 26 14.929 6.080 -10.205 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.248 5.441 -9.195 1.00 0.00 H new ATOM 0 HD11 ILE B 26 15.748 7.021 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE B 26 14.394 7.608 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE B 26 15.015 5.955 -6.550 1.00 0.00 H new ATOM 1524 N ASP B 27 16.986 8.116 -12.162 1.00 0.00 N ATOM 1525 CA ASP B 27 16.545 8.292 -13.539 1.00 0.00 C ATOM 1526 C ASP B 27 16.290 6.923 -14.190 1.00 0.00 C ATOM 1527 O ASP B 27 16.712 5.896 -13.652 1.00 0.00 O ATOM 1528 CB ASP B 27 17.589 9.115 -14.319 1.00 0.00 C ATOM 1529 CG ASP B 27 18.816 8.322 -14.716 1.00 0.00 C ATOM 1530 OD1 ASP B 27 18.770 7.651 -15.763 1.00 0.00 O ATOM 1531 OD2 ASP B 27 19.837 8.401 -13.999 1.00 0.00 O ATOM 0 H ASP B 27 17.983 7.924 -12.060 1.00 0.00 H new ATOM 0 HA ASP B 27 15.605 8.843 -13.557 1.00 0.00 H new ATOM 0 HB2 ASP B 27 17.122 9.520 -15.217 1.00 0.00 H new ATOM 0 HB3 ASP B 27 17.898 9.965 -13.710 1.00 0.00 H new ATOM 1536 N PRO B 28 15.564 6.885 -15.334 1.00 0.00 N ATOM 1537 CA PRO B 28 15.193 5.635 -16.029 1.00 0.00 C ATOM 1538 C PRO B 28 16.363 4.694 -16.351 1.00 0.00 C ATOM 1539 O PRO B 28 16.142 3.528 -16.688 1.00 0.00 O ATOM 1540 CB PRO B 28 14.534 6.114 -17.333 1.00 0.00 C ATOM 1541 CG PRO B 28 14.855 7.565 -17.435 1.00 0.00 C ATOM 1542 CD PRO B 28 14.993 8.051 -16.026 1.00 0.00 C ATOM 0 HA PRO B 28 14.551 5.036 -15.383 1.00 0.00 H new ATOM 0 HB2 PRO B 28 14.921 5.566 -18.192 1.00 0.00 H new ATOM 0 HB3 PRO B 28 13.456 5.952 -17.310 1.00 0.00 H new ATOM 0 HG2 PRO B 28 15.776 7.723 -17.995 1.00 0.00 H new ATOM 0 HG3 PRO B 28 14.066 8.104 -17.959 1.00 0.00 H new ATOM 0 HD2 PRO B 28 15.647 8.921 -15.960 1.00 0.00 H new ATOM 0 HD3 PRO B 28 14.032 8.342 -15.602 1.00 0.00 H new ATOM 1550 N SER B 29 17.596 5.176 -16.258 1.00 0.00 N ATOM 1551 CA SER B 29 18.754 4.326 -16.518 1.00 0.00 C ATOM 1552 C SER B 29 19.083 3.485 -15.284 1.00 0.00 C ATOM 1553 O SER B 29 19.978 2.639 -15.310 1.00 0.00 O ATOM 1554 CB SER B 29 19.957 5.179 -16.914 1.00 0.00 C ATOM 1555 OG SER B 29 19.566 6.212 -17.804 1.00 0.00 O ATOM 0 H SER B 29 17.820 6.139 -16.008 1.00 0.00 H new ATOM 0 HA SER B 29 18.516 3.654 -17.343 1.00 0.00 H new ATOM 0 HB2 SER B 29 20.411 5.612 -16.023 1.00 0.00 H new ATOM 0 HB3 SER B 29 20.714 4.553 -17.386 1.00 0.00 H new ATOM 0 HG SER B 29 19.207 6.967 -17.292 1.00 0.00 H new ATOM 1561 N LYS B 30 18.355 3.737 -14.203 1.00 0.00 N ATOM 1562 CA LYS B 30 18.515 2.975 -12.974 1.00 0.00 C ATOM 1563 C LYS B 30 17.256 2.165 -12.680 1.00 0.00 C ATOM 1564 O LYS B 30 17.325 0.963 -12.431 1.00 0.00 O ATOM 1565 CB LYS B 30 18.826 3.909 -11.798 1.00 0.00 C ATOM 1566 CG LYS B 30 20.124 4.685 -11.961 1.00 0.00 C ATOM 1567 CD LYS B 30 21.312 3.749 -12.099 1.00 0.00 C ATOM 1568 CE LYS B 30 22.598 4.515 -12.363 1.00 0.00 C ATOM 1569 NZ LYS B 30 23.745 3.600 -12.605 1.00 0.00 N ATOM 0 H LYS B 30 17.645 4.468 -14.154 1.00 0.00 H new ATOM 0 HA LYS B 30 19.351 2.288 -13.105 1.00 0.00 H new ATOM 0 HB2 LYS B 30 18.004 4.614 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.877 3.321 -10.882 1.00 0.00 H new ATOM 0 HG2 LYS B 30 20.059 5.326 -12.840 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.271 5.338 -11.101 1.00 0.00 H new ATOM 0 HD2 LYS B 30 21.419 3.159 -11.189 1.00 0.00 H new ATOM 0 HD3 LYS B 30 21.131 3.048 -12.914 1.00 0.00 H new ATOM 0 HE2 LYS B 30 22.463 5.165 -13.227 1.00 0.00 H new ATOM 0 HE3 LYS B 30 22.819 5.158 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 24.572 3.930 -12.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 23.493 2.639 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.973 3.590 -13.620 1.00 0.00 H new ATOM 1583 N TYR B 31 16.108 2.832 -12.713 1.00 0.00 N ATOM 1584 CA TYR B 31 14.836 2.184 -12.415 1.00 0.00 C ATOM 1585 C TYR B 31 13.747 2.671 -13.362 1.00 0.00 C ATOM 1586 O TYR B 31 13.943 3.632 -14.105 1.00 0.00 O ATOM 1587 CB TYR B 31 14.418 2.454 -10.964 1.00 0.00 C ATOM 1588 CG TYR B 31 15.242 1.710 -9.934 1.00 0.00 C ATOM 1589 CD1 TYR B 31 14.866 0.445 -9.506 1.00 0.00 C ATOM 1590 CD2 TYR B 31 16.389 2.271 -9.390 1.00 0.00 C ATOM 1591 CE1 TYR B 31 15.611 -0.242 -8.567 1.00 0.00 C ATOM 1592 CE2 TYR B 31 17.139 1.590 -8.450 1.00 0.00 C ATOM 1593 CZ TYR B 31 16.746 0.334 -8.042 1.00 0.00 C ATOM 1594 OH TYR B 31 17.490 -0.349 -7.106 1.00 0.00 O ATOM 0 H TYR B 31 16.032 3.823 -12.943 1.00 0.00 H new ATOM 0 HA TYR B 31 14.968 1.111 -12.552 1.00 0.00 H new ATOM 0 HB2 TYR B 31 14.492 3.524 -10.769 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.370 2.180 -10.842 1.00 0.00 H new ATOM 0 HD1 TYR B 31 13.976 -0.010 -9.914 1.00 0.00 H new ATOM 0 HD2 TYR B 31 16.700 3.256 -9.706 1.00 0.00 H new ATOM 0 HE1 TYR B 31 15.304 -1.227 -8.246 1.00 0.00 H new ATOM 0 HE2 TYR B 31 18.029 2.040 -8.037 1.00 0.00 H new ATOM 0 HH TYR B 31 18.259 0.196 -6.838 1.00 0.00 H new ATOM 1604 N THR B 32 12.605 2.003 -13.335 1.00 0.00 N ATOM 1605 CA THR B 32 11.462 2.417 -14.127 1.00 0.00 C ATOM 1606 C THR B 32 10.620 3.400 -13.321 1.00 0.00 C ATOM 1607 O THR B 32 9.842 3.002 -12.454 1.00 0.00 O ATOM 1608 CB THR B 32 10.603 1.207 -14.551 1.00 0.00 C ATOM 1609 OG1 THR B 32 11.433 0.220 -15.185 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.500 1.630 -15.513 1.00 0.00 C ATOM 0 H THR B 32 12.446 1.169 -12.770 1.00 0.00 H new ATOM 0 HA THR B 32 11.826 2.899 -15.034 1.00 0.00 H new ATOM 0 HB THR B 32 10.143 0.787 -13.657 1.00 0.00 H new ATOM 0 HG1 THR B 32 11.802 -0.382 -14.506 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.910 0.758 -15.796 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.855 2.363 -15.028 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.945 2.072 -16.405 1.00 0.00 H new ATOM 1618 N VAL B 33 10.811 4.682 -13.586 1.00 0.00 N ATOM 1619 CA VAL B 33 10.175 5.730 -12.801 1.00 0.00 C ATOM 1620 C VAL B 33 8.732 5.953 -13.239 1.00 0.00 C ATOM 1621 O VAL B 33 8.471 6.351 -14.375 1.00 0.00 O ATOM 1622 CB VAL B 33 10.950 7.059 -12.905 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.374 8.099 -11.955 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.429 6.837 -12.626 1.00 0.00 C ATOM 0 H VAL B 33 11.404 5.024 -14.342 1.00 0.00 H new ATOM 0 HA VAL B 33 10.183 5.396 -11.764 1.00 0.00 H new ATOM 0 HB VAL B 33 10.844 7.436 -13.922 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.938 9.027 -12.047 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.329 8.282 -12.206 1.00 0.00 H new ATOM 0 HG13 VAL B 33 10.442 7.733 -10.930 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.960 7.786 -12.704 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.553 6.433 -11.621 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.835 6.133 -13.353 1.00 0.00 H new ATOM 1634 N GLU B 34 7.806 5.686 -12.333 1.00 0.00 N ATOM 1635 CA GLU B 34 6.389 5.901 -12.581 1.00 0.00 C ATOM 1636 C GLU B 34 5.852 6.973 -11.644 1.00 0.00 C ATOM 1637 O GLU B 34 5.557 6.705 -10.483 1.00 0.00 O ATOM 1638 CB GLU B 34 5.608 4.596 -12.399 1.00 0.00 C ATOM 1639 CG GLU B 34 5.846 3.584 -13.509 1.00 0.00 C ATOM 1640 CD GLU B 34 5.125 3.942 -14.793 1.00 0.00 C ATOM 1641 OE1 GLU B 34 5.176 5.119 -15.211 1.00 0.00 O ATOM 1642 OE2 GLU B 34 4.501 3.042 -15.395 1.00 0.00 O ATOM 0 H GLU B 34 8.014 5.315 -11.406 1.00 0.00 H new ATOM 0 HA GLU B 34 6.262 6.237 -13.610 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.884 4.147 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.543 4.824 -12.348 1.00 0.00 H new ATOM 0 HG2 GLU B 34 6.916 3.512 -13.706 1.00 0.00 H new ATOM 0 HG3 GLU B 34 5.517 2.600 -13.175 1.00 0.00 H new ATOM 1649 N ILE B 35 5.757 8.194 -12.142 1.00 0.00 N ATOM 1650 CA ILE B 35 5.292 9.308 -11.331 1.00 0.00 C ATOM 1651 C ILE B 35 3.776 9.437 -11.424 1.00 0.00 C ATOM 1652 O ILE B 35 3.224 9.607 -12.512 1.00 0.00 O ATOM 1653 CB ILE B 35 5.957 10.634 -11.762 1.00 0.00 C ATOM 1654 CG1 ILE B 35 7.481 10.524 -11.627 1.00 0.00 C ATOM 1655 CG2 ILE B 35 5.426 11.794 -10.928 1.00 0.00 C ATOM 1656 CD1 ILE B 35 8.228 11.759 -12.083 1.00 0.00 C ATOM 0 H ILE B 35 5.995 8.440 -13.103 1.00 0.00 H new ATOM 0 HA ILE B 35 5.573 9.104 -10.298 1.00 0.00 H new ATOM 0 HB ILE B 35 5.712 10.827 -12.806 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.730 10.325 -10.585 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.826 9.668 -12.206 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.906 12.720 -11.246 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.348 11.878 -11.066 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.644 11.615 -9.875 1.00 0.00 H new ATOM 0 HD11 ILE B 35 9.299 11.604 -11.956 1.00 0.00 H new ATOM 0 HD12 ILE B 35 8.010 11.948 -13.134 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.913 12.616 -11.487 1.00 0.00 H new ATOM 1668 N VAL B 36 3.108 9.345 -10.281 1.00 0.00 N ATOM 1669 CA VAL B 36 1.656 9.426 -10.232 1.00 0.00 C ATOM 1670 C VAL B 36 1.218 10.519 -9.262 1.00 0.00 C ATOM 1671 O VAL B 36 1.552 10.486 -8.074 1.00 0.00 O ATOM 1672 CB VAL B 36 1.016 8.084 -9.802 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.506 8.161 -9.862 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.525 6.939 -10.667 1.00 0.00 C ATOM 0 H VAL B 36 3.552 9.214 -9.372 1.00 0.00 H new ATOM 0 HA VAL B 36 1.315 9.662 -11.240 1.00 0.00 H new ATOM 0 HB VAL B 36 1.308 7.891 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.931 7.205 -9.555 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.857 8.946 -9.192 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.819 8.387 -10.881 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.061 6.006 -10.346 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.271 7.130 -11.710 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.607 6.860 -10.566 1.00 0.00 H new ATOM 1684 N HIS B 37 0.486 11.494 -9.775 1.00 0.00 N ATOM 1685 CA HIS B 37 -0.051 12.554 -8.940 1.00 0.00 C ATOM 1686 C HIS B 37 -1.317 12.052 -8.259 1.00 0.00 C ATOM 1687 O HIS B 37 -2.291 11.705 -8.928 1.00 0.00 O ATOM 1688 CB HIS B 37 -0.354 13.800 -9.779 1.00 0.00 C ATOM 1689 CG HIS B 37 -0.471 15.062 -8.976 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -1.588 15.342 -8.226 1.00 0.00 N ATOM 1691 CD2 HIS B 37 0.411 16.081 -8.848 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -1.358 16.518 -7.664 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -0.160 17.005 -8.013 1.00 0.00 N ATOM 0 H HIS B 37 0.251 11.573 -10.764 1.00 0.00 H new ATOM 0 HA HIS B 37 0.686 12.829 -8.185 1.00 0.00 H new ATOM 0 HB2 HIS B 37 0.434 13.926 -10.522 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.284 13.641 -10.325 1.00 0.00 H new ATOM 0 HD2 HIS B 37 1.382 16.152 -9.316 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -2.050 17.022 -7.006 1.00 0.00 H new ATOM 0 HE2 HIS B 37 0.248 17.891 -7.715 1.00 0.00 H new ATOM 1701 N LEU B 38 -1.295 11.994 -6.937 1.00 0.00 N ATOM 1702 CA LEU B 38 -2.401 11.429 -6.174 1.00 0.00 C ATOM 1703 C LEU B 38 -3.478 12.480 -5.916 1.00 0.00 C ATOM 1704 O LEU B 38 -4.601 12.155 -5.538 1.00 0.00 O ATOM 1705 CB LEU B 38 -1.887 10.852 -4.847 1.00 0.00 C ATOM 1706 CG LEU B 38 -2.920 10.073 -4.025 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -3.439 8.882 -4.811 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.319 9.611 -2.707 1.00 0.00 C ATOM 0 H LEU B 38 -0.520 12.332 -6.366 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.847 10.625 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -1.045 10.193 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -1.506 11.671 -4.238 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.756 10.739 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.171 8.341 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -3.909 9.230 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.610 8.218 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -3.068 9.060 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.465 8.963 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -1.993 10.478 -2.132 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.139 13.737 -6.164 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.060 14.823 -5.897 1.00 0.00 C ATOM 1722 C GLY B 39 -4.873 15.186 -7.118 1.00 0.00 C ATOM 1723 O GLY B 39 -4.898 16.343 -7.541 1.00 0.00 O ATOM 0 H GLY B 39 -2.239 14.025 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -4.730 14.539 -5.086 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -3.503 15.697 -5.559 1.00 0.00 H new ATOM 1727 N THR B 40 -5.515 14.189 -7.700 1.00 0.00 N ATOM 1728 CA THR B 40 -6.345 14.386 -8.875 1.00 0.00 C ATOM 1729 C THR B 40 -7.482 13.366 -8.892 1.00 0.00 C ATOM 1730 O THR B 40 -8.657 13.726 -8.978 1.00 0.00 O ATOM 1731 CB THR B 40 -5.515 14.262 -10.171 1.00 0.00 C ATOM 1732 OG1 THR B 40 -4.397 15.161 -10.123 1.00 0.00 O ATOM 1733 CG2 THR B 40 -6.362 14.576 -11.394 1.00 0.00 C ATOM 0 H THR B 40 -5.476 13.224 -7.373 1.00 0.00 H new ATOM 0 HA THR B 40 -6.761 15.393 -8.828 1.00 0.00 H new ATOM 0 HB THR B 40 -5.160 13.234 -10.248 1.00 0.00 H new ATOM 0 HG1 THR B 40 -3.874 15.076 -10.947 1.00 0.00 H new ATOM 0 HG21 THR B 40 -5.753 14.481 -12.293 1.00 0.00 H new ATOM 0 HG22 THR B 40 -7.198 13.878 -11.447 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.744 15.594 -11.320 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.124 12.094 -8.793 1.00 0.00 N ATOM 1742 CA ASP B 41 -8.108 11.025 -8.752 1.00 0.00 C ATOM 1743 C ASP B 41 -8.218 10.478 -7.334 1.00 0.00 C ATOM 1744 O ASP B 41 -7.248 9.954 -6.783 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.727 9.904 -9.721 1.00 0.00 C ATOM 1746 CG ASP B 41 -8.858 8.920 -9.944 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -9.396 8.386 -8.959 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -9.231 8.692 -11.114 1.00 0.00 O ATOM 0 H ASP B 41 -6.156 11.778 -8.739 1.00 0.00 H new ATOM 0 HA ASP B 41 -9.074 11.428 -9.056 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.434 10.338 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.858 9.372 -9.333 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.401 10.597 -6.750 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.619 10.200 -5.362 1.00 0.00 C ATOM 1755 C LYS B 42 -9.699 8.675 -5.220 1.00 0.00 C ATOM 1756 O LYS B 42 -9.524 8.138 -4.129 1.00 0.00 O ATOM 1757 CB LYS B 42 -10.896 10.862 -4.832 1.00 0.00 C ATOM 1758 CG LYS B 42 -11.171 10.617 -3.355 1.00 0.00 C ATOM 1759 CD LYS B 42 -12.384 11.406 -2.891 1.00 0.00 C ATOM 1760 CE LYS B 42 -12.763 11.095 -1.450 1.00 0.00 C ATOM 1761 NZ LYS B 42 -11.688 11.474 -0.494 1.00 0.00 N ATOM 0 H LYS B 42 -10.230 10.967 -7.216 1.00 0.00 H new ATOM 0 HA LYS B 42 -8.768 10.536 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -10.830 11.937 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -11.745 10.499 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -11.337 9.553 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.299 10.903 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -12.179 12.472 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -13.229 11.184 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -13.679 11.627 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -12.975 10.030 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -12.043 11.388 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -10.872 10.842 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -11.397 12.457 -0.671 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.930 7.978 -6.326 1.00 0.00 N ATOM 1776 CA ALA B 43 -10.075 6.525 -6.299 1.00 0.00 C ATOM 1777 C ALA B 43 -8.713 5.841 -6.231 1.00 0.00 C ATOM 1778 O ALA B 43 -8.610 4.669 -5.867 1.00 0.00 O ATOM 1779 CB ALA B 43 -10.857 6.039 -7.512 1.00 0.00 C ATOM 0 H ALA B 43 -10.021 8.394 -7.253 1.00 0.00 H new ATOM 0 HA ALA B 43 -10.633 6.260 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -10.953 4.954 -7.472 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -11.849 6.492 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -10.330 6.323 -8.423 1.00 0.00 H new ATOM 1785 N ARG B 44 -7.664 6.586 -6.569 1.00 0.00 N ATOM 1786 CA ARG B 44 -6.293 6.077 -6.489 1.00 0.00 C ATOM 1787 C ARG B 44 -5.910 5.774 -5.038 1.00 0.00 C ATOM 1788 O ARG B 44 -4.976 5.016 -4.776 1.00 0.00 O ATOM 1789 CB ARG B 44 -5.310 7.104 -7.063 1.00 0.00 C ATOM 1790 CG ARG B 44 -5.329 7.246 -8.580 1.00 0.00 C ATOM 1791 CD ARG B 44 -4.421 6.227 -9.259 1.00 0.00 C ATOM 1792 NE ARG B 44 -5.046 4.913 -9.391 1.00 0.00 N ATOM 1793 CZ ARG B 44 -4.427 3.756 -9.151 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -3.165 3.741 -8.730 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -5.071 2.611 -9.343 1.00 0.00 N ATOM 0 H ARG B 44 -7.735 7.547 -6.902 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.243 5.157 -7.071 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.527 8.076 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -4.302 6.830 -6.753 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -6.349 7.122 -8.943 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -5.013 8.253 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -4.145 6.594 -10.247 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -3.499 6.130 -8.686 1.00 0.00 H new ATOM 0 HE ARG B 44 -6.022 4.878 -9.687 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -2.664 4.618 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -2.698 2.852 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -6.036 2.618 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -4.601 1.725 -9.160 1.00 0.00 H new ATOM 1809 N ILE B 45 -6.654 6.364 -4.105 1.00 0.00 N ATOM 1810 CA ILE B 45 -6.339 6.283 -2.682 1.00 0.00 C ATOM 1811 C ILE B 45 -6.383 4.839 -2.166 1.00 0.00 C ATOM 1812 O ILE B 45 -5.596 4.459 -1.298 1.00 0.00 O ATOM 1813 CB ILE B 45 -7.303 7.179 -1.859 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.704 7.513 -0.495 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -8.663 6.512 -1.685 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.487 8.562 0.267 1.00 0.00 C ATOM 0 H ILE B 45 -7.490 6.910 -4.314 1.00 0.00 H new ATOM 0 HA ILE B 45 -5.319 6.647 -2.554 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.444 8.106 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -6.653 6.603 0.103 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.681 7.863 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -9.316 7.164 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -9.107 6.331 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -8.539 5.564 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -7.005 8.750 1.226 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -7.517 9.485 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -8.504 8.206 0.435 1.00 0.00 H new ATOM 1828 N ALA B 46 -7.274 4.028 -2.732 1.00 0.00 N ATOM 1829 CA ALA B 46 -7.445 2.650 -2.289 1.00 0.00 C ATOM 1830 C ALA B 46 -6.215 1.815 -2.620 1.00 0.00 C ATOM 1831 O ALA B 46 -5.774 0.986 -1.824 1.00 0.00 O ATOM 1832 CB ALA B 46 -8.688 2.040 -2.920 1.00 0.00 C ATOM 0 H ALA B 46 -7.888 4.303 -3.499 1.00 0.00 H new ATOM 0 HA ALA B 46 -7.570 2.654 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -8.801 1.011 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.565 2.618 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -8.589 2.054 -4.005 1.00 0.00 H new ATOM 1838 N GLU B 47 -5.653 2.051 -3.798 1.00 0.00 N ATOM 1839 CA GLU B 47 -4.478 1.318 -4.233 1.00 0.00 C ATOM 1840 C GLU B 47 -3.240 1.849 -3.522 1.00 0.00 C ATOM 1841 O GLU B 47 -2.292 1.107 -3.259 1.00 0.00 O ATOM 1842 CB GLU B 47 -4.317 1.430 -5.748 1.00 0.00 C ATOM 1843 CG GLU B 47 -3.271 0.490 -6.323 1.00 0.00 C ATOM 1844 CD GLU B 47 -3.154 0.619 -7.823 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -4.023 0.080 -8.539 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -2.208 1.278 -8.295 1.00 0.00 O ATOM 0 H GLU B 47 -5.993 2.743 -4.466 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.601 0.266 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -5.277 1.225 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -4.049 2.456 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -2.304 0.700 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -3.528 -0.538 -6.067 1.00 0.00 H new ATOM 1853 N ALA B 48 -3.263 3.139 -3.198 1.00 0.00 N ATOM 1854 CA ALA B 48 -2.179 3.761 -2.456 1.00 0.00 C ATOM 1855 C ALA B 48 -2.039 3.121 -1.080 1.00 0.00 C ATOM 1856 O ALA B 48 -0.928 2.841 -0.627 1.00 0.00 O ATOM 1857 CB ALA B 48 -2.408 5.259 -2.331 1.00 0.00 C ATOM 0 H ALA B 48 -4.025 3.773 -3.440 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.250 3.603 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.586 5.707 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -2.457 5.704 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -3.346 5.441 -1.806 1.00 0.00 H new ATOM 1863 N GLU B 49 -3.173 2.871 -0.428 1.00 0.00 N ATOM 1864 CA GLU B 49 -3.177 2.203 0.868 1.00 0.00 C ATOM 1865 C GLU B 49 -2.575 0.807 0.769 1.00 0.00 C ATOM 1866 O GLU B 49 -1.841 0.378 1.659 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.594 2.108 1.441 1.00 0.00 C ATOM 1868 CG GLU B 49 -5.146 3.429 1.945 1.00 0.00 C ATOM 1869 CD GLU B 49 -6.291 3.238 2.918 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -6.060 2.647 3.994 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -7.423 3.669 2.619 1.00 0.00 O ATOM 0 H GLU B 49 -4.098 3.121 -0.777 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.566 2.806 1.540 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.260 1.717 0.672 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.596 1.389 2.260 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.349 3.992 2.431 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.487 4.025 1.098 1.00 0.00 H new ATOM 1878 N LYS B 50 -2.888 0.105 -0.314 1.00 0.00 N ATOM 1879 CA LYS B 50 -2.350 -1.233 -0.539 1.00 0.00 C ATOM 1880 C LYS B 50 -0.843 -1.178 -0.759 1.00 0.00 C ATOM 1881 O LYS B 50 -0.096 -1.984 -0.206 1.00 0.00 O ATOM 1882 CB LYS B 50 -3.023 -1.892 -1.745 1.00 0.00 C ATOM 1883 CG LYS B 50 -4.510 -2.144 -1.562 1.00 0.00 C ATOM 1884 CD LYS B 50 -5.103 -2.837 -2.776 1.00 0.00 C ATOM 1885 CE LYS B 50 -6.583 -3.126 -2.589 1.00 0.00 C ATOM 1886 NZ LYS B 50 -7.159 -3.834 -3.762 1.00 0.00 N ATOM 0 H LYS B 50 -3.511 0.439 -1.050 1.00 0.00 H new ATOM 0 HA LYS B 50 -2.556 -1.829 0.350 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -2.877 -1.259 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -2.527 -2.840 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -4.671 -2.757 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -5.024 -1.198 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -4.963 -2.211 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -4.570 -3.770 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -6.725 -3.731 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.119 -2.190 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -8.170 -4.014 -3.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -7.046 -3.246 -4.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -6.665 -4.739 -3.899 1.00 0.00 H new ATOM 1900 N ALA B 51 -0.404 -0.213 -1.563 1.00 0.00 N ATOM 1901 CA ALA B 51 1.013 -0.049 -1.865 1.00 0.00 C ATOM 1902 C ALA B 51 1.812 0.285 -0.608 1.00 0.00 C ATOM 1903 O ALA B 51 3.004 -0.007 -0.523 1.00 0.00 O ATOM 1904 CB ALA B 51 1.205 1.033 -2.918 1.00 0.00 C ATOM 0 H ALA B 51 -1.012 0.468 -2.018 1.00 0.00 H new ATOM 0 HA ALA B 51 1.386 -0.995 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.267 1.146 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA B 51 0.677 0.752 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA B 51 0.809 1.978 -2.546 1.00 0.00 H new ATOM 1910 N GLY B 52 1.147 0.885 0.368 1.00 0.00 N ATOM 1911 CA GLY B 52 1.804 1.227 1.613 1.00 0.00 C ATOM 1912 C GLY B 52 2.060 2.712 1.738 1.00 0.00 C ATOM 1913 O GLY B 52 2.889 3.143 2.537 1.00 0.00 O ATOM 0 H GLY B 52 0.161 1.142 0.320 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.188 0.895 2.449 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.750 0.690 1.681 1.00 0.00 H new ATOM 1917 N VAL B 53 1.344 3.496 0.948 1.00 0.00 N ATOM 1918 CA VAL B 53 1.489 4.940 0.979 1.00 0.00 C ATOM 1919 C VAL B 53 0.644 5.523 2.107 1.00 0.00 C ATOM 1920 O VAL B 53 -0.528 5.835 1.921 1.00 0.00 O ATOM 1921 CB VAL B 53 1.079 5.583 -0.365 1.00 0.00 C ATOM 1922 CG1 VAL B 53 1.327 7.085 -0.351 1.00 0.00 C ATOM 1923 CG2 VAL B 53 1.818 4.928 -1.522 1.00 0.00 C ATOM 0 H VAL B 53 0.656 3.155 0.277 1.00 0.00 H new ATOM 0 HA VAL B 53 2.541 5.165 1.152 1.00 0.00 H new ATOM 0 HB VAL B 53 0.010 5.419 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.030 7.512 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL B 53 0.743 7.543 0.447 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.386 7.277 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL B 53 1.515 5.396 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL B 53 2.892 5.053 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.577 3.865 -1.552 1.00 0.00 H new ATOM 1933 N LYS B 54 1.234 5.616 3.290 1.00 0.00 N ATOM 1934 CA LYS B 54 0.543 6.180 4.440 1.00 0.00 C ATOM 1935 C LYS B 54 0.665 7.698 4.424 1.00 0.00 C ATOM 1936 O LYS B 54 -0.224 8.423 4.880 1.00 0.00 O ATOM 1937 CB LYS B 54 1.112 5.605 5.738 1.00 0.00 C ATOM 1938 CG LYS B 54 0.418 6.115 6.987 1.00 0.00 C ATOM 1939 CD LYS B 54 0.890 5.376 8.226 1.00 0.00 C ATOM 1940 CE LYS B 54 0.167 5.857 9.472 1.00 0.00 C ATOM 1941 NZ LYS B 54 0.563 5.073 10.670 1.00 0.00 N ATOM 0 H LYS B 54 2.188 5.309 3.478 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.513 5.914 4.385 1.00 0.00 H new ATOM 0 HB2 LYS B 54 1.035 4.518 5.708 1.00 0.00 H new ATOM 0 HB3 LYS B 54 2.173 5.847 5.798 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.611 7.181 7.102 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -0.660 5.996 6.880 1.00 0.00 H new ATOM 0 HD2 LYS B 54 0.724 4.306 8.098 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.964 5.519 8.349 1.00 0.00 H new ATOM 0 HE2 LYS B 54 0.388 6.912 9.637 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -0.910 5.776 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 0.050 5.428 11.502 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.330 4.070 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.587 5.171 10.826 1.00 0.00 H new ATOM 1955 N SER B 55 1.775 8.173 3.898 1.00 0.00 N ATOM 1956 CA SER B 55 1.979 9.588 3.703 1.00 0.00 C ATOM 1957 C SER B 55 2.264 9.851 2.231 1.00 0.00 C ATOM 1958 O SER B 55 2.970 9.078 1.587 1.00 0.00 O ATOM 1959 CB SER B 55 3.132 10.081 4.580 1.00 0.00 C ATOM 1960 OG SER B 55 2.931 9.699 5.931 1.00 0.00 O ATOM 0 H SER B 55 2.556 7.590 3.596 1.00 0.00 H new ATOM 0 HA SER B 55 1.081 10.134 3.994 1.00 0.00 H new ATOM 0 HB2 SER B 55 4.074 9.670 4.217 1.00 0.00 H new ATOM 0 HB3 SER B 55 3.210 11.166 4.511 1.00 0.00 H new ATOM 0 HG SER B 55 3.679 10.021 6.477 1.00 0.00 H new ATOM 1966 N VAL B 56 1.691 10.916 1.693 1.00 0.00 N ATOM 1967 CA VAL B 56 1.908 11.256 0.300 1.00 0.00 C ATOM 1968 C VAL B 56 3.270 11.975 0.174 1.00 0.00 C ATOM 1969 O VAL B 56 4.043 11.919 1.128 1.00 0.00 O ATOM 1970 CB VAL B 56 0.720 12.062 -0.281 1.00 0.00 C ATOM 1971 CG1 VAL B 56 0.573 11.795 -1.776 1.00 0.00 C ATOM 1972 CG2 VAL B 56 -0.574 11.714 0.441 1.00 0.00 C ATOM 0 H VAL B 56 1.076 11.555 2.198 1.00 0.00 H new ATOM 0 HA VAL B 56 1.951 10.351 -0.307 1.00 0.00 H new ATOM 0 HB VAL B 56 0.926 13.122 -0.131 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -0.267 12.370 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL B 56 1.487 12.092 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL B 56 0.393 10.732 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -1.395 12.292 0.016 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.781 10.650 0.324 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -0.474 11.950 1.500 1.00 0.00 H new ATOM 1982 N PRO B 57 3.534 12.800 -0.869 1.00 0.00 N ATOM 1983 CA PRO B 57 4.820 12.825 -1.555 1.00 0.00 C ATOM 1984 C PRO B 57 5.849 11.812 -1.041 1.00 0.00 C ATOM 1985 O PRO B 57 6.641 12.091 -0.141 1.00 0.00 O ATOM 1986 CB PRO B 57 5.223 14.266 -1.336 1.00 0.00 C ATOM 1987 CG PRO B 57 3.921 15.016 -1.456 1.00 0.00 C ATOM 1988 CD PRO B 57 2.801 14.005 -1.257 1.00 0.00 C ATOM 0 HA PRO B 57 4.759 12.523 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.681 14.411 -0.358 1.00 0.00 H new ATOM 0 HB3 PRO B 57 5.948 14.598 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.862 15.808 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO B 57 3.840 15.493 -2.433 1.00 0.00 H new ATOM 0 HD2 PRO B 57 2.100 14.321 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.223 13.854 -2.169 1.00 0.00 H new ATOM 1996 N ALA B 58 5.812 10.630 -1.643 1.00 0.00 N ATOM 1997 CA ALA B 58 6.699 9.535 -1.285 1.00 0.00 C ATOM 1998 C ALA B 58 7.083 8.745 -2.531 1.00 0.00 C ATOM 1999 O ALA B 58 6.395 8.814 -3.551 1.00 0.00 O ATOM 2000 CB ALA B 58 6.026 8.625 -0.270 1.00 0.00 C ATOM 0 H ALA B 58 5.162 10.405 -2.396 1.00 0.00 H new ATOM 0 HA ALA B 58 7.604 9.946 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.700 7.809 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.784 9.196 0.627 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.110 8.217 -0.698 1.00 0.00 H new ATOM 2006 N LEU B 59 8.172 7.997 -2.452 1.00 0.00 N ATOM 2007 CA LEU B 59 8.646 7.231 -3.593 1.00 0.00 C ATOM 2008 C LEU B 59 8.609 5.737 -3.276 1.00 0.00 C ATOM 2009 O LEU B 59 9.325 5.256 -2.399 1.00 0.00 O ATOM 2010 CB LEU B 59 10.065 7.675 -3.970 1.00 0.00 C ATOM 2011 CG LEU B 59 10.412 7.605 -5.462 1.00 0.00 C ATOM 2012 CD1 LEU B 59 11.774 8.229 -5.720 1.00 0.00 C ATOM 2013 CD2 LEU B 59 10.390 6.170 -5.964 1.00 0.00 C ATOM 0 H LEU B 59 8.743 7.904 -1.612 1.00 0.00 H new ATOM 0 HA LEU B 59 7.991 7.415 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU B 59 10.206 8.701 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.776 7.058 -3.422 1.00 0.00 H new ATOM 0 HG LEU B 59 9.655 8.168 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU B 59 12.005 8.171 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU B 59 11.761 9.273 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU B 59 12.534 7.691 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU B 59 10.640 6.152 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU B 59 11.119 5.579 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU B 59 9.395 5.749 -5.818 1.00 0.00 H new ATOM 2025 N VAL B 60 7.760 5.014 -3.989 1.00 0.00 N ATOM 2026 CA VAL B 60 7.597 3.584 -3.787 1.00 0.00 C ATOM 2027 C VAL B 60 8.507 2.805 -4.734 1.00 0.00 C ATOM 2028 O VAL B 60 8.188 2.624 -5.910 1.00 0.00 O ATOM 2029 CB VAL B 60 6.133 3.152 -4.018 1.00 0.00 C ATOM 2030 CG1 VAL B 60 5.936 1.684 -3.674 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.179 4.024 -3.215 1.00 0.00 C ATOM 0 H VAL B 60 7.166 5.401 -4.722 1.00 0.00 H new ATOM 0 HA VAL B 60 7.870 3.364 -2.755 1.00 0.00 H new ATOM 0 HB VAL B 60 5.908 3.284 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL B 60 4.896 1.406 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL B 60 6.583 1.073 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.187 1.519 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.153 3.701 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.409 3.933 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.291 5.064 -3.522 1.00 0.00 H new ATOM 2041 N ILE B 61 9.641 2.352 -4.224 1.00 0.00 N ATOM 2042 CA ILE B 61 10.617 1.644 -5.043 1.00 0.00 C ATOM 2043 C ILE B 61 10.347 0.142 -5.022 1.00 0.00 C ATOM 2044 O ILE B 61 10.596 -0.525 -4.015 1.00 0.00 O ATOM 2045 CB ILE B 61 12.061 1.909 -4.564 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.343 3.414 -4.529 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.063 1.200 -5.470 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.717 3.769 -4.002 1.00 0.00 C ATOM 0 H ILE B 61 9.910 2.461 -3.246 1.00 0.00 H new ATOM 0 HA ILE B 61 10.515 2.020 -6.061 1.00 0.00 H new ATOM 0 HB ILE B 61 12.169 1.512 -3.555 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.236 3.817 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.590 3.900 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.075 1.398 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE B 61 12.875 0.126 -5.450 1.00 0.00 H new ATOM 0 HG23 ILE B 61 12.955 1.569 -6.490 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.840 4.852 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.823 3.398 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.478 3.313 -4.635 1.00 0.00 H new ATOM 2060 N ASP B 62 9.785 -0.363 -6.124 1.00 0.00 N ATOM 2061 CA ASP B 62 9.523 -1.798 -6.319 1.00 0.00 C ATOM 2062 C ASP B 62 8.410 -2.308 -5.397 1.00 0.00 C ATOM 2063 O ASP B 62 7.923 -3.429 -5.546 1.00 0.00 O ATOM 2064 CB ASP B 62 10.810 -2.618 -6.123 1.00 0.00 C ATOM 2065 CG ASP B 62 10.620 -4.100 -6.397 1.00 0.00 C ATOM 2066 OD1 ASP B 62 10.221 -4.454 -7.530 1.00 0.00 O ATOM 2067 OD2 ASP B 62 10.864 -4.918 -5.481 1.00 0.00 O ATOM 0 H ASP B 62 9.496 0.214 -6.914 1.00 0.00 H new ATOM 0 HA ASP B 62 9.180 -1.928 -7.345 1.00 0.00 H new ATOM 0 HB2 ASP B 62 11.585 -2.229 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP B 62 11.166 -2.486 -5.101 1.00 0.00 H new ATOM 2072 N GLY B 63 7.981 -1.460 -4.480 1.00 0.00 N ATOM 2073 CA GLY B 63 6.983 -1.855 -3.507 1.00 0.00 C ATOM 2074 C GLY B 63 7.253 -1.236 -2.153 1.00 0.00 C ATOM 2075 O GLY B 63 6.343 -1.072 -1.344 1.00 0.00 O ATOM 0 H GLY B 63 8.307 -0.498 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY B 63 5.995 -1.554 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY B 63 6.972 -2.941 -3.416 1.00 0.00 H new ATOM 2079 N ALA B 64 8.507 -0.885 -1.909 1.00 0.00 N ATOM 2080 CA ALA B 64 8.887 -0.242 -0.660 1.00 0.00 C ATOM 2081 C ALA B 64 8.662 1.262 -0.749 1.00 0.00 C ATOM 2082 O ALA B 64 9.337 1.955 -1.508 1.00 0.00 O ATOM 2083 CB ALA B 64 10.340 -0.549 -0.326 1.00 0.00 C ATOM 0 H ALA B 64 9.278 -1.035 -2.559 1.00 0.00 H new ATOM 0 HA ALA B 64 8.261 -0.637 0.140 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.609 -0.061 0.611 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.470 -1.626 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.983 -0.180 -1.125 1.00 0.00 H new ATOM 2089 N ALA B 65 7.699 1.757 0.014 1.00 0.00 N ATOM 2090 CA ALA B 65 7.358 3.171 -0.008 1.00 0.00 C ATOM 2091 C ALA B 65 8.271 3.975 0.909 1.00 0.00 C ATOM 2092 O ALA B 65 8.201 3.856 2.133 1.00 0.00 O ATOM 2093 CB ALA B 65 5.903 3.369 0.389 1.00 0.00 C ATOM 0 H ALA B 65 7.139 1.198 0.658 1.00 0.00 H new ATOM 0 HA ALA B 65 7.500 3.535 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.662 4.432 0.368 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.259 2.837 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA B 65 5.744 2.980 1.395 1.00 0.00 H new ATOM 2099 N PHE B 66 9.141 4.773 0.311 1.00 0.00 N ATOM 2100 CA PHE B 66 10.012 5.661 1.066 1.00 0.00 C ATOM 2101 C PHE B 66 9.456 7.077 1.035 1.00 0.00 C ATOM 2102 O PHE B 66 9.411 7.714 -0.018 1.00 0.00 O ATOM 2103 CB PHE B 66 11.435 5.640 0.500 1.00 0.00 C ATOM 2104 CG PHE B 66 12.124 4.314 0.646 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.791 3.992 1.817 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.103 3.389 -0.385 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.425 2.772 1.957 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.735 2.169 -0.250 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.396 1.859 0.922 1.00 0.00 C ATOM 0 H PHE B 66 9.263 4.824 -0.700 1.00 0.00 H new ATOM 0 HA PHE B 66 10.052 5.313 2.098 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.400 5.907 -0.556 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.028 6.404 1.003 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.816 4.703 2.630 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.587 3.625 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.942 2.533 2.875 1.00 0.00 H new ATOM 0 HE2 PHE B 66 12.712 1.457 -1.062 1.00 0.00 H new ATOM 0 HZ PHE B 66 13.889 0.904 1.029 1.00 0.00 H new ATOM 2119 N HIS B 67 9.015 7.553 2.186 1.00 0.00 N ATOM 2120 CA HIS B 67 8.412 8.874 2.290 1.00 0.00 C ATOM 2121 C HIS B 67 9.477 9.958 2.180 1.00 0.00 C ATOM 2122 O HIS B 67 10.498 9.905 2.869 1.00 0.00 O ATOM 2123 CB HIS B 67 7.655 9.012 3.617 1.00 0.00 C ATOM 2124 CG HIS B 67 6.563 7.998 3.805 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.645 6.931 4.673 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.335 7.919 3.235 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.490 6.255 4.607 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.659 6.813 3.749 1.00 0.00 N ATOM 0 H HIS B 67 9.063 7.042 3.068 1.00 0.00 H new ATOM 0 HA HIS B 67 7.706 8.995 1.468 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.365 8.923 4.439 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.223 10.011 3.675 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.444 6.697 5.262 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.942 8.605 2.499 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.269 5.368 5.182 1.00 0.00 H new ATOM 2136 N ILE B 68 9.245 10.931 1.310 1.00 0.00 N ATOM 2137 CA ILE B 68 10.186 12.025 1.119 1.00 0.00 C ATOM 2138 C ILE B 68 9.711 13.243 1.898 1.00 0.00 C ATOM 2139 O ILE B 68 8.830 13.978 1.443 1.00 0.00 O ATOM 2140 CB ILE B 68 10.345 12.387 -0.374 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.727 11.142 -1.181 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.392 13.480 -0.549 1.00 0.00 C ATOM 2143 CD1 ILE B 68 10.821 11.385 -2.672 1.00 0.00 C ATOM 0 H ILE B 68 8.412 10.985 0.724 1.00 0.00 H new ATOM 0 HA ILE B 68 11.160 11.703 1.487 1.00 0.00 H new ATOM 0 HB ILE B 68 9.392 12.764 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE B 68 11.686 10.768 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE B 68 9.990 10.360 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.491 13.723 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.084 14.370 0.000 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.351 13.130 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE B 68 11.095 10.458 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE B 68 9.857 11.729 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE B 68 11.579 12.143 -2.870 1.00 0.00 H new ATOM 2155 N ASN B 69 10.295 13.435 3.081 1.00 0.00 N ATOM 2156 CA ASN B 69 9.816 14.428 4.039 1.00 0.00 C ATOM 2157 C ASN B 69 8.402 14.063 4.472 1.00 0.00 C ATOM 2158 O ASN B 69 7.923 12.963 4.195 1.00 0.00 O ATOM 2159 CB ASN B 69 9.837 15.850 3.445 1.00 0.00 C ATOM 2160 CG ASN B 69 11.231 16.440 3.347 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.098 16.157 4.168 1.00 0.00 O ATOM 2162 ND2 ASN B 69 11.457 17.273 2.342 1.00 0.00 N ATOM 0 H ASN B 69 11.109 12.909 3.400 1.00 0.00 H new ATOM 0 HA ASN B 69 10.484 14.424 4.901 1.00 0.00 H new ATOM 0 HB2 ASN B 69 9.389 15.828 2.452 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.217 16.502 4.060 1.00 0.00 H new ATOM 0 HD21 ASN B 69 12.376 17.702 2.232 1.00 0.00 H new ATOM 0 HD22 ASN B 69 10.712 17.485 1.678 1.00 0.00 H new ATOM 2169 N PHE B 70 7.740 14.961 5.175 1.00 0.00 N ATOM 2170 CA PHE B 70 6.332 14.775 5.450 1.00 0.00 C ATOM 2171 C PHE B 70 5.541 15.434 4.335 1.00 0.00 C ATOM 2172 O PHE B 70 5.191 16.610 4.420 1.00 0.00 O ATOM 2173 CB PHE B 70 5.940 15.354 6.815 1.00 0.00 C ATOM 2174 CG PHE B 70 4.541 14.989 7.238 1.00 0.00 C ATOM 2175 CD1 PHE B 70 4.280 13.753 7.810 1.00 0.00 C ATOM 2176 CD2 PHE B 70 3.491 15.877 7.064 1.00 0.00 C ATOM 2177 CE1 PHE B 70 2.998 13.409 8.195 1.00 0.00 C ATOM 2178 CE2 PHE B 70 2.206 15.537 7.446 1.00 0.00 C ATOM 2179 CZ PHE B 70 1.961 14.303 8.015 1.00 0.00 C ATOM 0 H PHE B 70 8.148 15.813 5.560 1.00 0.00 H new ATOM 0 HA PHE B 70 6.109 13.709 5.489 1.00 0.00 H new ATOM 0 HB2 PHE B 70 6.644 14.999 7.568 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.030 16.440 6.781 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.088 13.051 7.956 1.00 0.00 H new ATOM 0 HD2 PHE B 70 3.679 16.846 6.625 1.00 0.00 H new ATOM 0 HE1 PHE B 70 2.807 12.442 8.636 1.00 0.00 H new ATOM 0 HE2 PHE B 70 1.395 16.236 7.299 1.00 0.00 H new ATOM 0 HZ PHE B 70 0.959 14.037 8.319 1.00 0.00 H new ATOM 2189 N GLY B 71 5.333 14.686 3.260 1.00 0.00 N ATOM 2190 CA GLY B 71 4.623 15.210 2.116 1.00 0.00 C ATOM 2191 C GLY B 71 3.182 15.515 2.440 1.00 0.00 C ATOM 2192 O GLY B 71 2.822 16.665 2.688 1.00 0.00 O ATOM 0 H GLY B 71 5.646 13.720 3.162 1.00 0.00 H new ATOM 0 HA2 GLY B 71 5.116 16.117 1.767 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.667 14.489 1.300 1.00 0.00 H new ATOM 2196 N ALA B 72 2.344 14.495 2.412 1.00 0.00 N ATOM 2197 CA ALA B 72 0.953 14.667 2.807 1.00 0.00 C ATOM 2198 C ALA B 72 0.478 13.478 3.625 1.00 0.00 C ATOM 2199 O ALA B 72 1.212 12.516 3.806 1.00 0.00 O ATOM 2200 CB ALA B 72 0.070 14.881 1.586 1.00 0.00 C ATOM 0 H ALA B 72 2.595 13.549 2.124 1.00 0.00 H new ATOM 0 HA ALA B 72 0.880 15.556 3.433 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -0.965 15.007 1.903 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.397 15.773 1.052 1.00 0.00 H new ATOM 0 HB3 ALA B 72 0.145 14.016 0.927 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.744 13.544 4.123 1.00 0.00 N ATOM 2207 CA GLY B 73 -1.316 12.409 4.819 1.00 0.00 C ATOM 2208 C GLY B 73 -2.424 11.773 4.011 1.00 0.00 C ATOM 2209 O GLY B 73 -3.344 12.463 3.579 1.00 0.00 O ATOM 0 H GLY B 73 -1.351 14.361 4.059 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -0.538 11.672 5.018 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -1.705 12.730 5.785 1.00 0.00 H new ATOM 2213 N ILE B 74 -2.349 10.464 3.795 1.00 0.00 N ATOM 2214 CA ILE B 74 -3.352 9.786 2.980 1.00 0.00 C ATOM 2215 C ILE B 74 -4.702 9.768 3.696 1.00 0.00 C ATOM 2216 O ILE B 74 -5.754 9.835 3.065 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.932 8.341 2.607 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.853 7.796 1.513 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.956 7.428 3.827 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -3.472 6.419 1.019 1.00 0.00 C ATOM 0 H ILE B 74 -1.617 9.859 4.166 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.440 10.351 2.052 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.909 8.368 2.231 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.874 7.765 1.894 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -3.848 8.487 0.670 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.657 6.422 3.534 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -2.265 7.808 4.579 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.964 7.401 4.241 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -4.172 6.103 0.246 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -2.464 6.447 0.606 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -3.505 5.713 1.849 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.664 9.711 5.024 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.886 9.688 5.817 1.00 0.00 C ATOM 2234 C ASP B 75 -6.495 11.084 5.864 1.00 0.00 C ATOM 2235 O ASP B 75 -7.697 11.247 6.056 1.00 0.00 O ATOM 2236 CB ASP B 75 -5.594 9.181 7.232 1.00 0.00 C ATOM 2237 CG ASP B 75 -6.842 8.692 7.945 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -7.561 9.523 8.535 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -7.102 7.467 7.914 1.00 0.00 O ATOM 0 H ASP B 75 -3.803 9.680 5.571 1.00 0.00 H new ATOM 0 HA ASP B 75 -6.599 9.008 5.352 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -4.868 8.370 7.181 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -5.137 9.982 7.814 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.650 12.082 5.651 1.00 0.00 N ATOM 2245 CA ASP B 76 -6.071 13.479 5.635 1.00 0.00 C ATOM 2246 C ASP B 76 -6.950 13.761 4.421 1.00 0.00 C ATOM 2247 O ASP B 76 -7.912 14.528 4.498 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.831 14.383 5.615 1.00 0.00 C ATOM 2249 CG ASP B 76 -5.153 15.860 5.486 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -5.301 16.345 4.346 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -5.222 16.552 6.522 1.00 0.00 O ATOM 0 H ASP B 76 -4.653 11.948 5.484 1.00 0.00 H new ATOM 0 HA ASP B 76 -6.655 13.685 6.532 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -4.261 14.223 6.531 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -4.190 14.086 4.785 1.00 0.00 H new ATOM 2256 N LEU B 77 -6.636 13.100 3.311 1.00 0.00 N ATOM 2257 CA LEU B 77 -7.327 13.336 2.046 1.00 0.00 C ATOM 2258 C LEU B 77 -8.542 12.421 1.885 1.00 0.00 C ATOM 2259 O LEU B 77 -9.174 12.394 0.827 1.00 0.00 O ATOM 2260 CB LEU B 77 -6.361 13.121 0.878 1.00 0.00 C ATOM 2261 CG LEU B 77 -5.125 14.023 0.879 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -4.210 13.674 -0.285 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -5.530 15.488 0.819 1.00 0.00 C ATOM 0 H LEU B 77 -5.903 12.392 3.261 1.00 0.00 H new ATOM 0 HA LEU B 77 -7.682 14.367 2.048 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.032 12.082 0.886 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.904 13.277 -0.054 1.00 0.00 H new ATOM 0 HG LEU B 77 -4.580 13.857 1.808 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.336 14.325 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.890 12.636 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -4.747 13.811 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -4.637 16.113 0.821 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -6.099 15.671 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -6.145 15.731 1.686 1.00 0.00 H new ATOM 2275 N LYS B 78 -8.868 11.667 2.928 1.00 0.00 N ATOM 2276 CA LYS B 78 -10.019 10.775 2.878 1.00 0.00 C ATOM 2277 C LYS B 78 -11.311 11.570 3.014 1.00 0.00 C ATOM 2278 O LYS B 78 -12.267 11.355 2.265 1.00 0.00 O ATOM 2279 CB LYS B 78 -9.927 9.701 3.962 1.00 0.00 C ATOM 2280 CG LYS B 78 -8.764 8.748 3.756 1.00 0.00 C ATOM 2281 CD LYS B 78 -8.713 7.679 4.830 1.00 0.00 C ATOM 2282 CE LYS B 78 -7.499 6.784 4.657 1.00 0.00 C ATOM 2283 NZ LYS B 78 -7.395 5.778 5.745 1.00 0.00 N ATOM 0 H LYS B 78 -8.357 11.655 3.811 1.00 0.00 H new ATOM 0 HA LYS B 78 -10.021 10.273 1.910 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -9.827 10.182 4.935 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -10.857 9.132 3.982 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -8.850 8.276 2.777 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -7.830 9.309 3.758 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -8.685 8.149 5.813 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -9.621 7.077 4.791 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -7.557 6.274 3.695 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -6.597 7.395 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -6.563 5.175 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -7.297 6.264 6.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -8.252 5.189 5.756 1.00 0.00 H new