USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 0.601 USER MOD Single : A 6 SER OG : rot 6:sc= 0.0706 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -140:sc= -0.135 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.824 K(o=-0.82,f=-1.8!) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00882) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 130:sc= -0.866 USER MOD Single : A 52 GLN : amide:sc= -0.529 K(o=-0.53,f=-4.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -7.24! C(o=-7.2!,f=-6.4!) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 1.87 (180deg=1.5) USER MOD Single : A 59 LYS NZ :NH3+ -133:sc= -0.249 (180deg=-1.37) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0655 (180deg=-0.406) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=0.76) USER MOD Single : A 69 GLN : amide:sc= -0.0213 K(o=-0.021,f=-0.94) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0217 (180deg=-0.211) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.298 12.063 5.365 1.00 0.00 N ATOM 2 CA GLY A 1 -15.174 11.340 4.462 1.00 0.00 C ATOM 3 C GLY A 1 -15.269 9.866 4.804 1.00 0.00 C ATOM 4 O GLY A 1 -15.897 9.491 5.794 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.266 13.065 5.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.658 11.982 6.337 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.340 11.660 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.170 11.782 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.809 11.450 3.441 1.00 0.00 H new ATOM 8 N SER A 2 -14.645 9.028 3.983 1.00 0.00 N ATOM 9 CA SER A 2 -14.667 7.586 4.200 1.00 0.00 C ATOM 10 C SER A 2 -16.079 7.033 4.033 1.00 0.00 C ATOM 11 O SER A 2 -16.524 6.190 4.812 1.00 0.00 O ATOM 12 CB SER A 2 -14.138 7.252 5.596 1.00 0.00 C ATOM 13 OG SER A 2 -12.876 7.854 5.821 1.00 0.00 O ATOM 0 H SER A 2 -14.118 9.323 3.161 1.00 0.00 H new ATOM 0 HA SER A 2 -14.023 7.121 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.848 7.595 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.054 6.171 5.707 1.00 0.00 H new ATOM 0 HG SER A 2 -12.561 7.627 6.721 1.00 0.00 H new ATOM 19 N SER A 3 -16.778 7.513 3.009 1.00 0.00 N ATOM 20 CA SER A 3 -18.141 7.070 2.740 1.00 0.00 C ATOM 21 C SER A 3 -18.143 5.775 1.934 1.00 0.00 C ATOM 22 O SER A 3 -18.922 5.616 0.995 1.00 0.00 O ATOM 23 CB SER A 3 -18.913 8.155 1.986 1.00 0.00 C ATOM 24 OG SER A 3 -18.290 8.458 0.750 1.00 0.00 O ATOM 0 H SER A 3 -16.423 8.208 2.353 1.00 0.00 H new ATOM 0 HA SER A 3 -18.631 6.883 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.936 7.822 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.972 9.055 2.598 1.00 0.00 H new ATOM 0 HG SER A 3 -18.803 9.153 0.287 1.00 0.00 H new ATOM 30 N GLY A 4 -17.262 4.852 2.307 1.00 0.00 N ATOM 31 CA GLY A 4 -17.177 3.582 1.609 1.00 0.00 C ATOM 32 C GLY A 4 -17.453 3.717 0.125 1.00 0.00 C ATOM 33 O GLY A 4 -18.183 2.913 -0.454 1.00 0.00 O ATOM 0 H GLY A 4 -16.606 4.961 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.184 3.157 1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.890 2.882 2.046 1.00 0.00 H new ATOM 37 N SER A 5 -16.870 4.739 -0.493 1.00 0.00 N ATOM 38 CA SER A 5 -17.061 4.980 -1.919 1.00 0.00 C ATOM 39 C SER A 5 -16.198 4.036 -2.750 1.00 0.00 C ATOM 40 O SER A 5 -14.995 4.246 -2.901 1.00 0.00 O ATOM 41 CB SER A 5 -16.722 6.433 -2.261 1.00 0.00 C ATOM 42 OG SER A 5 -15.405 6.759 -1.854 1.00 0.00 O ATOM 0 H SER A 5 -16.262 5.413 -0.029 1.00 0.00 H new ATOM 0 HA SER A 5 -18.108 4.792 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.823 6.590 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.432 7.100 -1.773 1.00 0.00 H new ATOM 0 HG SER A 5 -14.806 6.009 -2.052 1.00 0.00 H new ATOM 48 N SER A 6 -16.823 2.993 -3.288 1.00 0.00 N ATOM 49 CA SER A 6 -16.114 2.013 -4.101 1.00 0.00 C ATOM 50 C SER A 6 -16.999 1.504 -5.235 1.00 0.00 C ATOM 51 O SER A 6 -18.223 1.466 -5.112 1.00 0.00 O ATOM 52 CB SER A 6 -15.651 0.839 -3.235 1.00 0.00 C ATOM 53 OG SER A 6 -14.553 1.210 -2.419 1.00 0.00 O ATOM 0 H SER A 6 -17.819 2.805 -3.175 1.00 0.00 H new ATOM 0 HA SER A 6 -15.242 2.502 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.475 0.498 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.368 0.002 -3.873 1.00 0.00 H new ATOM 0 HG SER A 6 -14.381 2.170 -2.518 1.00 0.00 H new ATOM 59 N GLY A 7 -16.370 1.114 -6.339 1.00 0.00 N ATOM 60 CA GLY A 7 -17.115 0.613 -7.480 1.00 0.00 C ATOM 61 C GLY A 7 -16.211 0.165 -8.611 1.00 0.00 C ATOM 62 O GLY A 7 -15.964 0.918 -9.553 1.00 0.00 O ATOM 0 H GLY A 7 -15.358 1.136 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.738 -0.224 -7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.786 1.392 -7.842 1.00 0.00 H new ATOM 66 N TYR A 8 -15.716 -1.064 -8.519 1.00 0.00 N ATOM 67 CA TYR A 8 -14.831 -1.610 -9.540 1.00 0.00 C ATOM 68 C TYR A 8 -13.561 -0.774 -9.665 1.00 0.00 C ATOM 69 O TYR A 8 -13.160 -0.394 -10.765 1.00 0.00 O ATOM 70 CB TYR A 8 -15.550 -1.670 -10.889 1.00 0.00 C ATOM 71 CG TYR A 8 -15.053 -2.776 -11.792 1.00 0.00 C ATOM 72 CD1 TYR A 8 -15.052 -4.099 -11.367 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.584 -2.499 -13.070 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.598 -5.113 -12.188 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.130 -3.507 -13.898 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.138 -4.812 -13.453 1.00 0.00 C ATOM 77 OH TYR A 8 -13.685 -5.818 -14.274 1.00 0.00 O ATOM 0 H TYR A 8 -15.913 -1.701 -7.747 1.00 0.00 H new ATOM 0 HA TYR A 8 -14.551 -2.620 -9.239 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -16.618 -1.806 -10.716 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.429 -0.714 -11.399 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -15.412 -4.339 -10.378 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.574 -1.478 -13.422 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.603 -6.136 -11.841 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.770 -3.274 -14.889 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.398 -5.437 -15.130 1.00 0.00 H new ATOM 87 N SER A 9 -12.933 -0.491 -8.529 1.00 0.00 N ATOM 88 CA SER A 9 -11.710 0.304 -8.508 1.00 0.00 C ATOM 89 C SER A 9 -10.546 -0.505 -7.944 1.00 0.00 C ATOM 90 O SER A 9 -10.692 -1.210 -6.945 1.00 0.00 O ATOM 91 CB SER A 9 -11.915 1.572 -7.678 1.00 0.00 C ATOM 92 OG SER A 9 -12.063 1.264 -6.303 1.00 0.00 O ATOM 0 H SER A 9 -13.251 -0.800 -7.610 1.00 0.00 H new ATOM 0 HA SER A 9 -11.471 0.585 -9.534 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.065 2.241 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.799 2.103 -8.032 1.00 0.00 H new ATOM 0 HG SER A 9 -12.191 2.092 -5.794 1.00 0.00 H new ATOM 98 N VAL A 10 -9.390 -0.399 -8.591 1.00 0.00 N ATOM 99 CA VAL A 10 -8.200 -1.118 -8.154 1.00 0.00 C ATOM 100 C VAL A 10 -7.310 -0.234 -7.289 1.00 0.00 C ATOM 101 O VAL A 10 -6.735 0.744 -7.766 1.00 0.00 O ATOM 102 CB VAL A 10 -7.383 -1.632 -9.354 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.210 -2.598 -10.190 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.891 -0.468 -10.201 1.00 0.00 C ATOM 0 H VAL A 10 -9.253 0.179 -9.420 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.543 -1.969 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.514 -2.170 -8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.616 -2.950 -11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.508 -3.448 -9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.100 -2.089 -10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.316 -0.849 -11.044 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.745 0.099 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.259 0.182 -9.595 1.00 0.00 H new ATOM 114 N LYS A 11 -7.200 -0.585 -6.012 1.00 0.00 N ATOM 115 CA LYS A 11 -6.378 0.175 -5.077 1.00 0.00 C ATOM 116 C LYS A 11 -5.603 -0.757 -4.151 1.00 0.00 C ATOM 117 O LYS A 11 -6.028 -1.883 -3.892 1.00 0.00 O ATOM 118 CB LYS A 11 -7.252 1.122 -4.251 1.00 0.00 C ATOM 119 CG LYS A 11 -6.466 2.210 -3.540 1.00 0.00 C ATOM 120 CD LYS A 11 -6.176 3.382 -4.464 1.00 0.00 C ATOM 121 CE LYS A 11 -5.333 4.442 -3.771 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.880 5.497 -4.719 1.00 0.00 N ATOM 0 H LYS A 11 -7.670 -1.391 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.663 0.761 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.989 1.587 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.804 0.542 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.028 2.559 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.528 1.798 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.656 3.026 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.115 3.824 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.912 4.899 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.465 3.971 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.309 6.200 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.306 5.065 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.708 5.964 -5.141 1.00 0.00 H new ATOM 136 N TRP A 12 -4.467 -0.280 -3.655 1.00 0.00 N ATOM 137 CA TRP A 12 -3.634 -1.071 -2.757 1.00 0.00 C ATOM 138 C TRP A 12 -3.458 -0.367 -1.416 1.00 0.00 C ATOM 139 O TRP A 12 -3.465 0.863 -1.343 1.00 0.00 O ATOM 140 CB TRP A 12 -2.268 -1.334 -3.393 1.00 0.00 C ATOM 141 CG TRP A 12 -2.311 -2.350 -4.494 1.00 0.00 C ATOM 142 CD1 TRP A 12 -2.977 -2.243 -5.682 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.664 -3.626 -4.508 1.00 0.00 C ATOM 144 NE1 TRP A 12 -2.782 -3.376 -6.434 1.00 0.00 N ATOM 145 CE2 TRP A 12 -1.979 -4.240 -5.736 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.847 -4.310 -3.604 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.507 -5.504 -6.080 1.00 0.00 C ATOM 148 CZ3 TRP A 12 -0.379 -5.565 -3.946 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.709 -6.150 -5.176 1.00 0.00 C ATOM 0 H TRP A 12 -4.102 0.650 -3.859 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.134 -2.024 -2.583 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.873 -0.398 -3.787 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.576 -1.673 -2.622 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.570 -1.393 -5.985 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.172 -3.547 -7.361 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.586 -3.866 -2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.762 -5.958 -7.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.251 -6.104 -3.254 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.325 -7.131 -5.415 1.00 0.00 H new ATOM 160 N THR A 13 -3.299 -1.152 -0.355 1.00 0.00 N ATOM 161 CA THR A 13 -3.121 -0.603 0.983 1.00 0.00 C ATOM 162 C THR A 13 -1.698 -0.824 1.483 1.00 0.00 C ATOM 163 O THR A 13 -1.021 -1.763 1.063 1.00 0.00 O ATOM 164 CB THR A 13 -4.109 -1.231 1.984 1.00 0.00 C ATOM 165 OG1 THR A 13 -3.878 -2.641 2.080 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.547 -0.976 1.558 1.00 0.00 C ATOM 0 H THR A 13 -3.290 -2.171 -0.397 1.00 0.00 H new ATOM 0 HA THR A 13 -3.317 0.467 0.914 1.00 0.00 H new ATOM 0 HB THR A 13 -3.948 -0.769 2.958 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.509 -3.033 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.226 -1.429 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.728 0.098 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.718 -1.414 0.575 1.00 0.00 H new ATOM 174 N ILE A 14 -1.251 0.045 2.384 1.00 0.00 N ATOM 175 CA ILE A 14 0.091 -0.058 2.943 1.00 0.00 C ATOM 176 C ILE A 14 0.427 -1.500 3.306 1.00 0.00 C ATOM 177 O ILE A 14 1.433 -2.046 2.855 1.00 0.00 O ATOM 178 CB ILE A 14 0.248 0.825 4.195 1.00 0.00 C ATOM 179 CG1 ILE A 14 0.028 2.296 3.840 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.623 0.624 4.815 1.00 0.00 C ATOM 181 CD1 ILE A 14 1.152 2.896 3.024 1.00 0.00 C ATOM 0 H ILE A 14 -1.798 0.828 2.742 1.00 0.00 H new ATOM 0 HA ILE A 14 0.781 0.290 2.174 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.506 0.531 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.905 2.392 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.089 2.870 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.719 1.255 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.744 -0.421 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.392 0.894 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.928 3.941 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.084 2.833 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.255 2.347 2.088 1.00 0.00 H new ATOM 193 N GLU A 15 -0.425 -2.113 4.122 1.00 0.00 N ATOM 194 CA GLU A 15 -0.219 -3.493 4.544 1.00 0.00 C ATOM 195 C GLU A 15 0.201 -4.366 3.365 1.00 0.00 C ATOM 196 O GLU A 15 1.287 -4.945 3.365 1.00 0.00 O ATOM 197 CB GLU A 15 -1.495 -4.053 5.177 1.00 0.00 C ATOM 198 CG GLU A 15 -1.314 -5.428 5.797 1.00 0.00 C ATOM 199 CD GLU A 15 -0.630 -5.374 7.149 1.00 0.00 C ATOM 200 OE1 GLU A 15 0.530 -4.918 7.210 1.00 0.00 O ATOM 201 OE2 GLU A 15 -1.257 -5.788 8.147 1.00 0.00 O ATOM 0 H GLU A 15 -1.264 -1.676 4.504 1.00 0.00 H new ATOM 0 HA GLU A 15 0.580 -3.503 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.844 -3.361 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.274 -4.106 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.288 -5.904 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.728 -6.052 5.122 1.00 0.00 H new ATOM 208 N GLU A 16 -0.667 -4.455 2.363 1.00 0.00 N ATOM 209 CA GLU A 16 -0.387 -5.258 1.178 1.00 0.00 C ATOM 210 C GLU A 16 0.966 -4.887 0.577 1.00 0.00 C ATOM 211 O GLU A 16 1.864 -5.723 0.475 1.00 0.00 O ATOM 212 CB GLU A 16 -1.490 -5.071 0.135 1.00 0.00 C ATOM 213 CG GLU A 16 -2.870 -5.469 0.630 1.00 0.00 C ATOM 214 CD GLU A 16 -3.140 -6.953 0.473 1.00 0.00 C ATOM 215 OE1 GLU A 16 -3.586 -7.362 -0.619 1.00 0.00 O ATOM 216 OE2 GLU A 16 -2.907 -7.704 1.443 1.00 0.00 O ATOM 0 H GLU A 16 -1.570 -3.981 2.348 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.357 -6.305 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.512 -4.026 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.246 -5.661 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.968 -5.195 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.625 -4.906 0.081 1.00 0.00 H new ATOM 223 N LYS A 17 1.104 -3.626 0.179 1.00 0.00 N ATOM 224 CA LYS A 17 2.345 -3.142 -0.411 1.00 0.00 C ATOM 225 C LYS A 17 3.556 -3.726 0.310 1.00 0.00 C ATOM 226 O LYS A 17 4.485 -4.225 -0.323 1.00 0.00 O ATOM 227 CB LYS A 17 2.396 -1.613 -0.359 1.00 0.00 C ATOM 228 CG LYS A 17 1.663 -0.940 -1.507 1.00 0.00 C ATOM 229 CD LYS A 17 2.000 0.539 -1.594 1.00 0.00 C ATOM 230 CE LYS A 17 1.044 1.378 -0.761 1.00 0.00 C ATOM 231 NZ LYS A 17 0.984 2.788 -1.238 1.00 0.00 N ATOM 0 H LYS A 17 0.370 -2.921 0.255 1.00 0.00 H new ATOM 0 HA LYS A 17 2.373 -3.466 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.965 -1.275 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.438 -1.292 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.926 -1.430 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.588 -1.062 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.022 0.701 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.958 0.862 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.047 0.939 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.360 1.361 0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.322 3.327 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.930 3.216 -1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.658 2.807 -2.225 1.00 0.00 H new ATOM 245 N GLU A 18 3.536 -3.661 1.638 1.00 0.00 N ATOM 246 CA GLU A 18 4.632 -4.185 2.444 1.00 0.00 C ATOM 247 C GLU A 18 4.929 -5.638 2.081 1.00 0.00 C ATOM 248 O GLU A 18 6.082 -6.013 1.866 1.00 0.00 O ATOM 249 CB GLU A 18 4.296 -4.078 3.933 1.00 0.00 C ATOM 250 CG GLU A 18 4.212 -2.647 4.437 1.00 0.00 C ATOM 251 CD GLU A 18 4.369 -2.549 5.942 1.00 0.00 C ATOM 252 OE1 GLU A 18 3.441 -2.967 6.664 1.00 0.00 O ATOM 253 OE2 GLU A 18 5.422 -2.053 6.396 1.00 0.00 O ATOM 0 H GLU A 18 2.774 -3.251 2.178 1.00 0.00 H new ATOM 0 HA GLU A 18 5.520 -3.588 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.344 -4.576 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.053 -4.613 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.986 -2.050 3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.252 -2.219 4.147 1.00 0.00 H new ATOM 260 N LEU A 19 3.880 -6.450 2.015 1.00 0.00 N ATOM 261 CA LEU A 19 4.026 -7.862 1.679 1.00 0.00 C ATOM 262 C LEU A 19 4.696 -8.032 0.319 1.00 0.00 C ATOM 263 O LEU A 19 5.687 -8.751 0.189 1.00 0.00 O ATOM 264 CB LEU A 19 2.660 -8.551 1.676 1.00 0.00 C ATOM 265 CG LEU A 19 2.125 -8.984 3.042 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.613 -9.146 2.995 1.00 0.00 C ATOM 267 CD2 LEU A 19 2.788 -10.278 3.489 1.00 0.00 C ATOM 0 H LEU A 19 2.919 -6.155 2.190 1.00 0.00 H new ATOM 0 HA LEU A 19 4.658 -8.326 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.935 -7.875 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.720 -9.431 1.036 1.00 0.00 H new ATOM 0 HG LEU A 19 2.365 -8.207 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.249 -9.454 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.154 -8.197 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.351 -9.903 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.395 -10.571 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.580 -11.063 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.865 -10.128 3.563 1.00 0.00 H new ATOM 279 N PHE A 20 4.150 -7.363 -0.691 1.00 0.00 N ATOM 280 CA PHE A 20 4.695 -7.439 -2.042 1.00 0.00 C ATOM 281 C PHE A 20 6.206 -7.226 -2.031 1.00 0.00 C ATOM 282 O PHE A 20 6.956 -7.997 -2.627 1.00 0.00 O ATOM 283 CB PHE A 20 4.028 -6.398 -2.943 1.00 0.00 C ATOM 284 CG PHE A 20 4.686 -6.257 -4.285 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.852 -5.521 -4.426 1.00 0.00 C ATOM 286 CD2 PHE A 20 4.140 -6.860 -5.406 1.00 0.00 C ATOM 287 CE1 PHE A 20 6.461 -5.389 -5.660 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.744 -6.732 -6.643 1.00 0.00 C ATOM 289 CZ PHE A 20 5.905 -5.995 -6.770 1.00 0.00 C ATOM 0 H PHE A 20 3.331 -6.762 -0.600 1.00 0.00 H new ATOM 0 HA PHE A 20 4.489 -8.435 -2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.982 -6.670 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.039 -5.432 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.290 -5.045 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.232 -7.437 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.370 -4.813 -5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.308 -7.208 -7.509 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.378 -5.893 -7.736 1.00 0.00 H new ATOM 299 N GLU A 21 6.644 -6.172 -1.349 1.00 0.00 N ATOM 300 CA GLU A 21 8.065 -5.856 -1.261 1.00 0.00 C ATOM 301 C GLU A 21 8.831 -6.983 -0.575 1.00 0.00 C ATOM 302 O GLU A 21 9.936 -7.336 -0.986 1.00 0.00 O ATOM 303 CB GLU A 21 8.273 -4.545 -0.500 1.00 0.00 C ATOM 304 CG GLU A 21 8.261 -3.315 -1.392 1.00 0.00 C ATOM 305 CD GLU A 21 6.873 -2.726 -1.555 1.00 0.00 C ATOM 306 OE1 GLU A 21 5.995 -3.423 -2.106 1.00 0.00 O ATOM 307 OE2 GLU A 21 6.665 -1.569 -1.134 1.00 0.00 O ATOM 0 H GLU A 21 6.036 -5.523 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 21 8.450 -5.743 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.492 -4.444 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.224 -4.590 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.925 -2.560 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.657 -3.578 -2.373 1.00 0.00 H new ATOM 314 N GLN A 22 8.236 -7.542 0.474 1.00 0.00 N ATOM 315 CA GLN A 22 8.864 -8.627 1.219 1.00 0.00 C ATOM 316 C GLN A 22 9.097 -9.839 0.322 1.00 0.00 C ATOM 317 O GLN A 22 10.195 -10.393 0.283 1.00 0.00 O ATOM 318 CB GLN A 22 7.995 -9.022 2.415 1.00 0.00 C ATOM 319 CG GLN A 22 8.312 -10.402 2.967 1.00 0.00 C ATOM 320 CD GLN A 22 8.015 -10.520 4.449 1.00 0.00 C ATOM 321 OE1 GLN A 22 7.921 -9.516 5.157 1.00 0.00 O ATOM 322 NE2 GLN A 22 7.866 -11.749 4.928 1.00 0.00 N ATOM 0 H GLN A 22 7.321 -7.262 0.827 1.00 0.00 H new ATOM 0 HA GLN A 22 9.830 -8.275 1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.124 -8.284 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.947 -8.990 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.733 -11.148 2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.364 -10.626 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.952 -12.553 4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.665 -11.890 5.918 1.00 0.00 H new ATOM 331 N GLY A 23 8.055 -10.246 -0.397 1.00 0.00 N ATOM 332 CA GLY A 23 8.167 -11.390 -1.283 1.00 0.00 C ATOM 333 C GLY A 23 8.932 -11.068 -2.551 1.00 0.00 C ATOM 334 O GLY A 23 9.564 -11.944 -3.143 1.00 0.00 O ATOM 0 H GLY A 23 7.136 -9.804 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.666 -12.205 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.169 -11.743 -1.544 1.00 0.00 H new ATOM 338 N LEU A 24 8.874 -9.809 -2.971 1.00 0.00 N ATOM 339 CA LEU A 24 9.566 -9.374 -4.180 1.00 0.00 C ATOM 340 C LEU A 24 11.073 -9.571 -4.046 1.00 0.00 C ATOM 341 O LEU A 24 11.760 -9.862 -5.024 1.00 0.00 O ATOM 342 CB LEU A 24 9.256 -7.903 -4.467 1.00 0.00 C ATOM 343 CG LEU A 24 9.770 -7.357 -5.799 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.742 -7.577 -6.898 1.00 0.00 C ATOM 345 CD2 LEU A 24 10.111 -5.879 -5.673 1.00 0.00 C ATOM 0 H LEU A 24 8.356 -9.072 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 24 9.211 -9.983 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.175 -7.767 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.678 -7.300 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 24 10.678 -7.898 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.125 -7.182 -7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.547 -8.644 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.817 -7.063 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.475 -5.507 -6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.219 -5.323 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.883 -5.747 -4.915 1.00 0.00 H new ATOM 357 N ALA A 25 11.579 -9.412 -2.827 1.00 0.00 N ATOM 358 CA ALA A 25 13.003 -9.577 -2.565 1.00 0.00 C ATOM 359 C ALA A 25 13.338 -11.030 -2.246 1.00 0.00 C ATOM 360 O ALA A 25 14.396 -11.532 -2.627 1.00 0.00 O ATOM 361 CB ALA A 25 13.437 -8.670 -1.422 1.00 0.00 C ATOM 0 H ALA A 25 11.024 -9.169 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 25 13.548 -9.295 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.503 -8.803 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.242 -7.631 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.877 -8.926 -0.522 1.00 0.00 H new ATOM 367 N LYS A 26 12.431 -11.701 -1.544 1.00 0.00 N ATOM 368 CA LYS A 26 12.630 -13.097 -1.173 1.00 0.00 C ATOM 369 C LYS A 26 12.459 -14.010 -2.383 1.00 0.00 C ATOM 370 O LYS A 26 13.397 -14.693 -2.795 1.00 0.00 O ATOM 371 CB LYS A 26 11.643 -13.499 -0.074 1.00 0.00 C ATOM 372 CG LYS A 26 11.907 -14.879 0.504 1.00 0.00 C ATOM 373 CD LYS A 26 10.754 -15.348 1.375 1.00 0.00 C ATOM 374 CE LYS A 26 10.960 -16.777 1.852 1.00 0.00 C ATOM 375 NZ LYS A 26 11.848 -16.841 3.046 1.00 0.00 N ATOM 0 H LYS A 26 11.551 -11.300 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 26 13.647 -13.207 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.687 -12.763 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.631 -13.471 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.064 -15.590 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.824 -14.859 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.655 -14.687 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.822 -15.282 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.995 -17.222 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.392 -17.370 1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.963 -17.832 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.778 -16.440 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.424 -16.296 3.824 1.00 0.00 H new ATOM 389 N PHE A 27 11.257 -14.017 -2.949 1.00 0.00 N ATOM 390 CA PHE A 27 10.964 -14.846 -4.112 1.00 0.00 C ATOM 391 C PHE A 27 11.524 -14.216 -5.384 1.00 0.00 C ATOM 392 O PHE A 27 11.866 -14.914 -6.338 1.00 0.00 O ATOM 393 CB PHE A 27 9.454 -15.050 -4.253 1.00 0.00 C ATOM 394 CG PHE A 27 8.841 -15.798 -3.104 1.00 0.00 C ATOM 395 CD1 PHE A 27 8.981 -17.173 -3.002 1.00 0.00 C ATOM 396 CD2 PHE A 27 8.124 -15.127 -2.126 1.00 0.00 C ATOM 397 CE1 PHE A 27 8.417 -17.864 -1.947 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.558 -15.813 -1.068 1.00 0.00 C ATOM 399 CZ PHE A 27 7.706 -17.183 -0.978 1.00 0.00 C ATOM 0 H PHE A 27 10.470 -13.458 -2.621 1.00 0.00 H new ATOM 0 HA PHE A 27 11.442 -15.814 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.971 -14.077 -4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.253 -15.592 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.537 -17.710 -3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.006 -14.055 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.532 -18.936 -1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.001 -15.278 -0.313 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.267 -17.721 -0.151 1.00 0.00 H new ATOM 409 N GLY A 28 11.615 -12.889 -5.390 1.00 0.00 N ATOM 410 CA GLY A 28 12.133 -12.186 -6.549 1.00 0.00 C ATOM 411 C GLY A 28 11.038 -11.532 -7.368 1.00 0.00 C ATOM 412 O GLY A 28 10.062 -11.022 -6.817 1.00 0.00 O ATOM 0 H GLY A 28 11.339 -12.289 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.841 -11.425 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.684 -12.885 -7.178 1.00 0.00 H new ATOM 416 N ARG A 29 11.199 -11.545 -8.687 1.00 0.00 N ATOM 417 CA ARG A 29 10.218 -10.945 -9.583 1.00 0.00 C ATOM 418 C ARG A 29 9.115 -11.943 -9.927 1.00 0.00 C ATOM 419 O ARG A 29 8.526 -11.884 -11.006 1.00 0.00 O ATOM 420 CB ARG A 29 10.896 -10.457 -10.864 1.00 0.00 C ATOM 421 CG ARG A 29 11.540 -9.087 -10.728 1.00 0.00 C ATOM 422 CD ARG A 29 11.747 -8.431 -12.084 1.00 0.00 C ATOM 423 NE ARG A 29 13.047 -8.763 -12.660 1.00 0.00 N ATOM 424 CZ ARG A 29 13.609 -8.078 -13.650 1.00 0.00 C ATOM 425 NH1 ARG A 29 12.987 -7.029 -14.171 1.00 0.00 N ATOM 426 NH2 ARG A 29 14.794 -8.443 -14.121 1.00 0.00 N ATOM 0 H ARG A 29 12.000 -11.965 -9.159 1.00 0.00 H new ATOM 0 HA ARG A 29 9.769 -10.094 -9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.657 -11.179 -11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.158 -10.424 -11.666 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.912 -8.449 -10.106 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.499 -9.184 -10.219 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.957 -8.749 -12.765 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.662 -7.349 -11.980 1.00 0.00 H new ATOM 0 HE ARG A 29 13.551 -9.565 -12.282 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.075 -6.746 -13.812 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.420 -6.505 -14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.274 -9.250 -13.723 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.225 -7.917 -14.881 1.00 0.00 H new ATOM 440 N ARG A 30 8.843 -12.858 -9.002 1.00 0.00 N ATOM 441 CA ARG A 30 7.813 -13.869 -9.208 1.00 0.00 C ATOM 442 C ARG A 30 6.464 -13.385 -8.687 1.00 0.00 C ATOM 443 O ARG A 30 6.289 -13.180 -7.485 1.00 0.00 O ATOM 444 CB ARG A 30 8.203 -15.174 -8.511 1.00 0.00 C ATOM 445 CG ARG A 30 9.368 -15.893 -9.172 1.00 0.00 C ATOM 446 CD ARG A 30 9.059 -16.243 -10.619 1.00 0.00 C ATOM 447 NE ARG A 30 9.857 -17.370 -11.092 1.00 0.00 N ATOM 448 CZ ARG A 30 9.926 -17.739 -12.366 1.00 0.00 C ATOM 449 NH1 ARG A 30 9.249 -17.071 -13.290 1.00 0.00 N ATOM 450 NH2 ARG A 30 10.675 -18.776 -12.719 1.00 0.00 N ATOM 0 H ARG A 30 9.321 -12.920 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 30 7.725 -14.049 -10.279 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.461 -14.959 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.339 -15.839 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.256 -15.263 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.597 -16.803 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.000 -16.483 -10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.248 -15.375 -11.250 1.00 0.00 H new ATOM 0 HE ARG A 30 10.391 -17.904 -10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.674 -16.272 -13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.303 -17.356 -14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.199 -19.291 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.727 -19.058 -13.698 1.00 0.00 H new ATOM 464 N TRP A 31 5.514 -13.204 -9.597 1.00 0.00 N ATOM 465 CA TRP A 31 4.180 -12.743 -9.229 1.00 0.00 C ATOM 466 C TRP A 31 3.341 -13.890 -8.677 1.00 0.00 C ATOM 467 O TRP A 31 2.615 -13.726 -7.696 1.00 0.00 O ATOM 468 CB TRP A 31 3.482 -12.119 -10.438 1.00 0.00 C ATOM 469 CG TRP A 31 4.377 -11.233 -11.250 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.511 -11.226 -12.609 1.00 0.00 C ATOM 471 CD2 TRP A 31 5.265 -10.225 -10.753 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.428 -10.275 -12.987 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.905 -9.647 -11.867 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.580 -9.754 -9.475 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.840 -8.624 -11.739 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.509 -8.738 -9.351 1.00 0.00 C ATOM 477 CH2 TRP A 31 7.129 -8.181 -10.477 1.00 0.00 C ATOM 0 H TRP A 31 5.642 -13.369 -10.595 1.00 0.00 H new ATOM 0 HA TRP A 31 4.285 -11.988 -8.450 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.095 -12.914 -11.075 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.625 -11.540 -10.095 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.975 -11.873 -13.287 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.708 -10.070 -13.946 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.106 -10.176 -8.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.321 -8.195 -12.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.761 -8.367 -8.369 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.849 -7.387 -10.347 1.00 0.00 H new ATOM 488 N THR A 32 3.444 -15.052 -9.314 1.00 0.00 N ATOM 489 CA THR A 32 2.694 -16.227 -8.887 1.00 0.00 C ATOM 490 C THR A 32 2.999 -16.576 -7.435 1.00 0.00 C ATOM 491 O THR A 32 2.129 -17.048 -6.702 1.00 0.00 O ATOM 492 CB THR A 32 3.007 -17.447 -9.773 1.00 0.00 C ATOM 493 OG1 THR A 32 4.394 -17.787 -9.666 1.00 0.00 O ATOM 494 CG2 THR A 32 2.661 -17.162 -11.227 1.00 0.00 C ATOM 0 H THR A 32 4.040 -15.205 -10.128 1.00 0.00 H new ATOM 0 HA THR A 32 1.637 -15.979 -8.984 1.00 0.00 H new ATOM 0 HB THR A 32 2.400 -18.284 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.585 -18.565 -10.231 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.890 -18.038 -11.834 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.599 -16.931 -11.310 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.245 -16.312 -11.580 1.00 0.00 H new ATOM 502 N LYS A 33 4.240 -16.341 -7.022 1.00 0.00 N ATOM 503 CA LYS A 33 4.660 -16.629 -5.656 1.00 0.00 C ATOM 504 C LYS A 33 4.155 -15.559 -4.694 1.00 0.00 C ATOM 505 O LYS A 33 3.507 -15.867 -3.693 1.00 0.00 O ATOM 506 CB LYS A 33 6.186 -16.719 -5.579 1.00 0.00 C ATOM 507 CG LYS A 33 6.781 -17.767 -6.503 1.00 0.00 C ATOM 508 CD LYS A 33 6.891 -19.118 -5.817 1.00 0.00 C ATOM 509 CE LYS A 33 5.573 -19.877 -5.868 1.00 0.00 C ATOM 510 NZ LYS A 33 5.766 -21.337 -5.645 1.00 0.00 N ATOM 0 H LYS A 33 4.973 -15.951 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 33 4.229 -17.587 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.612 -15.746 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.477 -16.944 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.162 -17.860 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.768 -17.444 -6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.671 -19.709 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.191 -18.977 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.896 -19.480 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.099 -19.717 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.846 -21.819 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.392 -21.721 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.195 -21.492 -4.710 1.00 0.00 H new ATOM 524 N ILE A 34 4.452 -14.302 -5.005 1.00 0.00 N ATOM 525 CA ILE A 34 4.025 -13.187 -4.169 1.00 0.00 C ATOM 526 C ILE A 34 2.511 -13.182 -3.992 1.00 0.00 C ATOM 527 O ILE A 34 2.007 -13.090 -2.872 1.00 0.00 O ATOM 528 CB ILE A 34 4.466 -11.836 -4.764 1.00 0.00 C ATOM 529 CG1 ILE A 34 5.991 -11.776 -4.875 1.00 0.00 C ATOM 530 CG2 ILE A 34 3.946 -10.688 -3.912 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.486 -10.699 -5.814 1.00 0.00 C ATOM 0 H ILE A 34 4.987 -14.030 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 34 4.502 -13.320 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 34 4.044 -11.741 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.413 -11.605 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.361 -12.743 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.266 -9.740 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.857 -10.723 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.342 -10.777 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.575 -10.715 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.093 -10.880 -6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.146 -9.725 -5.462 1.00 0.00 H new ATOM 543 N SER A 35 1.790 -13.282 -5.104 1.00 0.00 N ATOM 544 CA SER A 35 0.332 -13.287 -5.072 1.00 0.00 C ATOM 545 C SER A 35 -0.184 -14.157 -3.930 1.00 0.00 C ATOM 546 O SER A 35 -1.085 -13.762 -3.191 1.00 0.00 O ATOM 547 CB SER A 35 -0.227 -13.790 -6.405 1.00 0.00 C ATOM 548 OG SER A 35 -1.641 -13.709 -6.428 1.00 0.00 O ATOM 0 H SER A 35 2.192 -13.361 -6.038 1.00 0.00 H new ATOM 0 HA SER A 35 -0.006 -12.264 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.187 -13.200 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.084 -14.822 -6.567 1.00 0.00 H new ATOM 0 HG SER A 35 -2.007 -14.504 -6.869 1.00 0.00 H new ATOM 554 N LYS A 36 0.395 -15.345 -3.793 1.00 0.00 N ATOM 555 CA LYS A 36 -0.003 -16.274 -2.741 1.00 0.00 C ATOM 556 C LYS A 36 0.302 -15.697 -1.362 1.00 0.00 C ATOM 557 O LYS A 36 -0.519 -15.782 -0.447 1.00 0.00 O ATOM 558 CB LYS A 36 0.717 -17.613 -2.916 1.00 0.00 C ATOM 559 CG LYS A 36 0.490 -18.580 -1.766 1.00 0.00 C ATOM 560 CD LYS A 36 0.552 -20.025 -2.233 1.00 0.00 C ATOM 561 CE LYS A 36 -0.780 -20.484 -2.806 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.740 -21.911 -3.227 1.00 0.00 N ATOM 0 H LYS A 36 1.142 -15.688 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.078 -16.434 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.381 -18.078 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.786 -17.430 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.242 -18.413 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.481 -18.385 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.330 -20.131 -2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.830 -20.667 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.563 -20.347 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.042 -19.860 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.666 -22.185 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.010 -22.037 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.515 -22.509 -2.406 1.00 0.00 H new ATOM 576 N LEU A 37 1.484 -15.109 -1.220 1.00 0.00 N ATOM 577 CA LEU A 37 1.897 -14.516 0.048 1.00 0.00 C ATOM 578 C LEU A 37 0.816 -13.587 0.591 1.00 0.00 C ATOM 579 O LEU A 37 0.484 -13.631 1.776 1.00 0.00 O ATOM 580 CB LEU A 37 3.206 -13.745 -0.129 1.00 0.00 C ATOM 581 CG LEU A 37 3.798 -13.128 1.139 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.329 -14.213 2.063 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.900 -12.140 0.786 1.00 0.00 C ATOM 0 H LEU A 37 2.174 -15.030 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 37 2.052 -15.322 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.946 -14.419 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.040 -12.948 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 37 3.007 -12.589 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.746 -13.755 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.516 -14.883 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.106 -14.780 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.310 -11.710 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.691 -12.656 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.490 -11.345 0.164 1.00 0.00 H new ATOM 595 N ILE A 38 0.269 -12.748 -0.283 1.00 0.00 N ATOM 596 CA ILE A 38 -0.776 -11.811 0.109 1.00 0.00 C ATOM 597 C ILE A 38 -2.118 -12.519 0.264 1.00 0.00 C ATOM 598 O ILE A 38 -2.773 -12.410 1.300 1.00 0.00 O ATOM 599 CB ILE A 38 -0.925 -10.672 -0.917 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.415 -9.963 -1.122 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.989 -9.685 -0.462 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.510 -9.217 -2.434 1.00 0.00 C ATOM 0 H ILE A 38 0.533 -12.698 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.477 -11.388 1.068 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.238 -11.099 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.575 -9.262 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.217 -10.699 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.082 -8.886 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.944 -10.200 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.704 -9.260 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.487 -8.739 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.382 -9.916 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.270 -8.457 -2.478 1.00 0.00 H new ATOM 614 N GLY A 39 -2.521 -13.246 -0.774 1.00 0.00 N ATOM 615 CA GLY A 39 -3.783 -13.963 -0.732 1.00 0.00 C ATOM 616 C GLY A 39 -4.965 -13.076 -1.067 1.00 0.00 C ATOM 617 O GLY A 39 -5.902 -13.507 -1.739 1.00 0.00 O ATOM 0 H GLY A 39 -1.997 -13.351 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.747 -14.796 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.922 -14.389 0.262 1.00 0.00 H new ATOM 621 N SER A 40 -4.922 -11.833 -0.598 1.00 0.00 N ATOM 622 CA SER A 40 -6.001 -10.884 -0.848 1.00 0.00 C ATOM 623 C SER A 40 -6.102 -10.555 -2.334 1.00 0.00 C ATOM 624 O SER A 40 -7.198 -10.467 -2.888 1.00 0.00 O ATOM 625 CB SER A 40 -5.776 -9.601 -0.044 1.00 0.00 C ATOM 626 OG SER A 40 -5.922 -9.837 1.345 1.00 0.00 O ATOM 0 H SER A 40 -4.152 -11.460 -0.043 1.00 0.00 H new ATOM 0 HA SER A 40 -6.937 -11.344 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.778 -9.211 -0.247 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.487 -8.839 -0.363 1.00 0.00 H new ATOM 0 HG SER A 40 -5.772 -9.002 1.836 1.00 0.00 H new ATOM 632 N ARG A 41 -4.951 -10.376 -2.974 1.00 0.00 N ATOM 633 CA ARG A 41 -4.910 -10.056 -4.396 1.00 0.00 C ATOM 634 C ARG A 41 -4.671 -11.312 -5.229 1.00 0.00 C ATOM 635 O ARG A 41 -4.360 -12.376 -4.693 1.00 0.00 O ATOM 636 CB ARG A 41 -3.812 -9.028 -4.677 1.00 0.00 C ATOM 637 CG ARG A 41 -4.241 -7.593 -4.419 1.00 0.00 C ATOM 638 CD ARG A 41 -5.429 -7.203 -5.284 1.00 0.00 C ATOM 639 NE ARG A 41 -6.702 -7.498 -4.632 1.00 0.00 N ATOM 640 CZ ARG A 41 -7.864 -6.989 -5.024 1.00 0.00 C ATOM 641 NH1 ARG A 41 -7.914 -6.164 -6.060 1.00 0.00 N ATOM 642 NH2 ARG A 41 -8.980 -7.306 -4.379 1.00 0.00 N ATOM 0 H ARG A 41 -4.035 -10.447 -2.531 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.875 -9.633 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.945 -9.256 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.495 -9.122 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.500 -7.473 -3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.407 -6.921 -4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.377 -6.138 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.376 -7.736 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.698 -8.130 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.058 -5.919 -6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.808 -5.774 -6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.945 -7.941 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.872 -6.915 -4.681 1.00 0.00 H new ATOM 656 N THR A 42 -4.819 -11.181 -6.543 1.00 0.00 N ATOM 657 CA THR A 42 -4.621 -12.305 -7.450 1.00 0.00 C ATOM 658 C THR A 42 -3.457 -12.047 -8.400 1.00 0.00 C ATOM 659 O THR A 42 -3.098 -10.898 -8.661 1.00 0.00 O ATOM 660 CB THR A 42 -5.890 -12.589 -8.277 1.00 0.00 C ATOM 661 OG1 THR A 42 -6.160 -11.489 -9.153 1.00 0.00 O ATOM 662 CG2 THR A 42 -7.086 -12.826 -7.368 1.00 0.00 C ATOM 0 H THR A 42 -5.075 -10.308 -7.003 1.00 0.00 H new ATOM 0 HA THR A 42 -4.396 -13.174 -6.832 1.00 0.00 H new ATOM 0 HB THR A 42 -5.719 -13.489 -8.867 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.967 -11.678 -9.676 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.970 -13.024 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.889 -13.682 -6.723 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.258 -11.942 -6.755 1.00 0.00 H new ATOM 670 N VAL A 43 -2.870 -13.122 -8.915 1.00 0.00 N ATOM 671 CA VAL A 43 -1.747 -13.012 -9.838 1.00 0.00 C ATOM 672 C VAL A 43 -1.931 -11.836 -10.790 1.00 0.00 C ATOM 673 O VAL A 43 -0.984 -11.103 -11.081 1.00 0.00 O ATOM 674 CB VAL A 43 -1.568 -14.301 -10.661 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.510 -14.106 -11.736 1.00 0.00 C ATOM 676 CG2 VAL A 43 -1.208 -15.467 -9.753 1.00 0.00 C ATOM 0 H VAL A 43 -3.154 -14.080 -8.709 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.855 -12.850 -9.233 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.513 -14.531 -11.153 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.398 -15.028 -12.307 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.814 -13.300 -12.404 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.441 -13.851 -11.269 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.085 -16.370 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.276 -15.248 -9.232 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.004 -15.620 -9.024 1.00 0.00 H new ATOM 686 N LEU A 44 -3.156 -11.659 -11.273 1.00 0.00 N ATOM 687 CA LEU A 44 -3.466 -10.570 -12.193 1.00 0.00 C ATOM 688 C LEU A 44 -3.254 -9.215 -11.525 1.00 0.00 C ATOM 689 O LEU A 44 -2.330 -8.480 -11.871 1.00 0.00 O ATOM 690 CB LEU A 44 -4.909 -10.688 -12.686 1.00 0.00 C ATOM 691 CG LEU A 44 -5.273 -11.996 -13.389 1.00 0.00 C ATOM 692 CD1 LEU A 44 -6.749 -12.013 -13.754 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.413 -12.194 -14.628 1.00 0.00 C ATOM 0 H LEU A 44 -3.951 -12.256 -11.043 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.790 -10.644 -13.045 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.575 -10.560 -11.833 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.106 -9.863 -13.371 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.080 -12.820 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.990 -12.952 -14.253 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.349 -11.920 -12.849 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.968 -11.180 -14.422 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.686 -13.130 -15.115 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.573 -11.366 -15.318 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.362 -12.228 -14.340 1.00 0.00 H new ATOM 705 N GLN A 45 -4.115 -8.894 -10.564 1.00 0.00 N ATOM 706 CA GLN A 45 -4.020 -7.628 -9.847 1.00 0.00 C ATOM 707 C GLN A 45 -2.567 -7.285 -9.537 1.00 0.00 C ATOM 708 O GLN A 45 -2.157 -6.129 -9.637 1.00 0.00 O ATOM 709 CB GLN A 45 -4.829 -7.692 -8.550 1.00 0.00 C ATOM 710 CG GLN A 45 -6.331 -7.590 -8.763 1.00 0.00 C ATOM 711 CD GLN A 45 -6.701 -6.576 -9.828 1.00 0.00 C ATOM 712 OE1 GLN A 45 -6.091 -5.511 -9.927 1.00 0.00 O ATOM 713 NE2 GLN A 45 -7.705 -6.904 -10.633 1.00 0.00 N ATOM 0 H GLN A 45 -4.885 -9.492 -10.265 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.430 -6.846 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.606 -8.628 -8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.508 -6.885 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.721 -8.568 -9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.810 -7.315 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.182 -7.798 -10.515 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.999 -6.262 -11.370 1.00 0.00 H new ATOM 722 N VAL A 46 -1.792 -8.297 -9.160 1.00 0.00 N ATOM 723 CA VAL A 46 -0.384 -8.103 -8.837 1.00 0.00 C ATOM 724 C VAL A 46 0.417 -7.722 -10.077 1.00 0.00 C ATOM 725 O VAL A 46 1.046 -6.664 -10.123 1.00 0.00 O ATOM 726 CB VAL A 46 0.229 -9.371 -8.213 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.717 -9.178 -7.963 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.494 -9.734 -6.925 1.00 0.00 C ATOM 0 H VAL A 46 -2.116 -9.260 -9.071 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.335 -7.290 -8.112 1.00 0.00 H new ATOM 0 HB VAL A 46 0.107 -10.196 -8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.132 -10.084 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.221 -8.970 -8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.866 -8.341 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.048 -10.632 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.406 -8.912 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.547 -9.918 -7.138 1.00 0.00 H new ATOM 738 N LYS A 47 0.390 -8.590 -11.082 1.00 0.00 N ATOM 739 CA LYS A 47 1.112 -8.345 -12.325 1.00 0.00 C ATOM 740 C LYS A 47 0.954 -6.894 -12.769 1.00 0.00 C ATOM 741 O LYS A 47 1.880 -6.300 -13.320 1.00 0.00 O ATOM 742 CB LYS A 47 0.609 -9.283 -13.425 1.00 0.00 C ATOM 743 CG LYS A 47 1.210 -10.677 -13.357 1.00 0.00 C ATOM 744 CD LYS A 47 0.518 -11.630 -14.317 1.00 0.00 C ATOM 745 CE LYS A 47 0.990 -13.062 -14.119 1.00 0.00 C ATOM 746 NZ LYS A 47 2.168 -13.380 -14.973 1.00 0.00 N ATOM 0 H LYS A 47 -0.125 -9.470 -11.060 1.00 0.00 H new ATOM 0 HA LYS A 47 2.169 -8.539 -12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.476 -9.360 -13.357 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.837 -8.845 -14.397 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.273 -10.628 -13.594 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.128 -11.060 -12.340 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.561 -11.578 -14.169 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.714 -11.320 -15.343 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.248 -13.218 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.176 -13.748 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.502 -14.342 -14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.896 -13.322 -15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.930 -12.699 -14.781 1.00 0.00 H new ATOM 760 N SER A 48 -0.224 -6.330 -12.523 1.00 0.00 N ATOM 761 CA SER A 48 -0.503 -4.949 -12.900 1.00 0.00 C ATOM 762 C SER A 48 0.088 -3.978 -11.882 1.00 0.00 C ATOM 763 O SER A 48 0.450 -2.851 -12.220 1.00 0.00 O ATOM 764 CB SER A 48 -2.012 -4.726 -13.018 1.00 0.00 C ATOM 765 OG SER A 48 -2.564 -5.512 -14.060 1.00 0.00 O ATOM 0 H SER A 48 -1.000 -6.807 -12.065 1.00 0.00 H new ATOM 0 HA SER A 48 -0.038 -4.761 -13.868 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.495 -4.978 -12.074 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.213 -3.672 -13.208 1.00 0.00 H new ATOM 0 HG SER A 48 -3.529 -5.353 -14.114 1.00 0.00 H new ATOM 771 N TYR A 49 0.181 -4.424 -10.635 1.00 0.00 N ATOM 772 CA TYR A 49 0.726 -3.595 -9.566 1.00 0.00 C ATOM 773 C TYR A 49 2.248 -3.527 -9.650 1.00 0.00 C ATOM 774 O TYR A 49 2.832 -2.444 -9.673 1.00 0.00 O ATOM 775 CB TYR A 49 0.303 -4.143 -8.201 1.00 0.00 C ATOM 776 CG TYR A 49 1.145 -3.628 -7.055 1.00 0.00 C ATOM 777 CD1 TYR A 49 2.352 -4.232 -6.728 1.00 0.00 C ATOM 778 CD2 TYR A 49 0.732 -2.536 -6.301 1.00 0.00 C ATOM 779 CE1 TYR A 49 3.123 -3.766 -5.681 1.00 0.00 C ATOM 780 CE2 TYR A 49 1.498 -2.062 -5.253 1.00 0.00 C ATOM 781 CZ TYR A 49 2.692 -2.680 -4.947 1.00 0.00 C ATOM 782 OH TYR A 49 3.458 -2.212 -3.904 1.00 0.00 O ATOM 0 H TYR A 49 -0.114 -5.355 -10.339 1.00 0.00 H new ATOM 0 HA TYR A 49 0.329 -2.587 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.740 -3.882 -8.021 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.360 -5.231 -8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.694 -5.081 -7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.203 -2.050 -6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.058 -4.249 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.163 -1.212 -4.677 1.00 0.00 H new ATOM 0 HH TYR A 49 3.577 -1.243 -3.994 1.00 0.00 H new ATOM 792 N ALA A 50 2.884 -4.693 -9.696 1.00 0.00 N ATOM 793 CA ALA A 50 4.337 -4.768 -9.781 1.00 0.00 C ATOM 794 C ALA A 50 4.893 -3.655 -10.662 1.00 0.00 C ATOM 795 O ALA A 50 5.881 -3.009 -10.313 1.00 0.00 O ATOM 796 CB ALA A 50 4.765 -6.128 -10.312 1.00 0.00 C ATOM 0 H ALA A 50 2.415 -5.599 -9.676 1.00 0.00 H new ATOM 0 HA ALA A 50 4.742 -4.638 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.853 -6.170 -10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.407 -6.909 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.342 -6.280 -11.305 1.00 0.00 H new ATOM 802 N ARG A 51 4.254 -3.437 -11.806 1.00 0.00 N ATOM 803 CA ARG A 51 4.687 -2.403 -12.739 1.00 0.00 C ATOM 804 C ARG A 51 4.184 -1.030 -12.300 1.00 0.00 C ATOM 805 O ARG A 51 4.861 -0.021 -12.492 1.00 0.00 O ATOM 806 CB ARG A 51 4.184 -2.715 -14.149 1.00 0.00 C ATOM 807 CG ARG A 51 2.671 -2.826 -14.246 1.00 0.00 C ATOM 808 CD ARG A 51 2.250 -3.679 -15.433 1.00 0.00 C ATOM 809 NE ARG A 51 2.061 -2.880 -16.640 1.00 0.00 N ATOM 810 CZ ARG A 51 1.041 -2.047 -16.818 1.00 0.00 C ATOM 811 NH1 ARG A 51 0.124 -1.904 -15.871 1.00 0.00 N ATOM 812 NH2 ARG A 51 0.938 -1.355 -17.946 1.00 0.00 N ATOM 0 H ARG A 51 3.434 -3.962 -12.110 1.00 0.00 H new ATOM 0 HA ARG A 51 5.777 -2.387 -12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.527 -1.935 -14.829 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.631 -3.650 -14.486 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.277 -3.260 -13.327 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.237 -1.830 -14.340 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.006 -4.442 -15.618 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.323 -4.200 -15.194 1.00 0.00 H new ATOM 0 HE ARG A 51 2.750 -2.966 -17.388 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.200 -2.434 -15.003 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.658 -1.264 -16.011 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.642 -1.463 -18.676 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.155 -0.716 -18.082 1.00 0.00 H new ATOM 826 N GLN A 52 2.993 -1.002 -11.711 1.00 0.00 N ATOM 827 CA GLN A 52 2.400 0.246 -11.246 1.00 0.00 C ATOM 828 C GLN A 52 3.281 0.909 -10.193 1.00 0.00 C ATOM 829 O GLN A 52 3.533 2.113 -10.248 1.00 0.00 O ATOM 830 CB GLN A 52 1.005 -0.010 -10.674 1.00 0.00 C ATOM 831 CG GLN A 52 0.056 1.168 -10.834 1.00 0.00 C ATOM 832 CD GLN A 52 0.113 2.127 -9.661 1.00 0.00 C ATOM 833 OE1 GLN A 52 1.007 2.043 -8.818 1.00 0.00 O ATOM 834 NE2 GLN A 52 -0.843 3.046 -9.601 1.00 0.00 N ATOM 0 H GLN A 52 2.420 -1.829 -11.545 1.00 0.00 H new ATOM 0 HA GLN A 52 2.317 0.919 -12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.574 -0.882 -11.166 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.094 -0.253 -9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.301 1.705 -11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.963 0.796 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.564 3.079 -10.321 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.856 3.719 -8.835 1.00 0.00 H new ATOM 843 N TYR A 53 3.747 0.116 -9.235 1.00 0.00 N ATOM 844 CA TYR A 53 4.598 0.626 -8.167 1.00 0.00 C ATOM 845 C TYR A 53 5.749 1.451 -8.734 1.00 0.00 C ATOM 846 O TYR A 53 5.821 2.662 -8.528 1.00 0.00 O ATOM 847 CB TYR A 53 5.149 -0.529 -7.329 1.00 0.00 C ATOM 848 CG TYR A 53 6.074 -0.085 -6.218 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.691 0.908 -5.324 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.331 -0.657 -6.064 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.534 1.318 -4.309 1.00 0.00 C ATOM 852 CE2 TYR A 53 8.179 -0.254 -5.050 1.00 0.00 C ATOM 853 CZ TYR A 53 7.776 0.733 -4.176 1.00 0.00 C ATOM 854 OH TYR A 53 8.618 1.138 -3.166 1.00 0.00 O ATOM 0 H TYR A 53 3.550 -0.883 -9.176 1.00 0.00 H new ATOM 0 HA TYR A 53 3.991 1.271 -7.531 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.316 -1.083 -6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.684 -1.218 -7.983 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.718 1.367 -5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.650 -1.429 -6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.222 2.092 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.152 -0.710 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 53 9.453 0.626 -3.211 1.00 0.00 H new ATOM 864 N PHE A 54 6.648 0.785 -9.452 1.00 0.00 N ATOM 865 CA PHE A 54 7.797 1.455 -10.050 1.00 0.00 C ATOM 866 C PHE A 54 7.411 2.837 -10.568 1.00 0.00 C ATOM 867 O PHE A 54 8.199 3.781 -10.499 1.00 0.00 O ATOM 868 CB PHE A 54 8.369 0.611 -11.191 1.00 0.00 C ATOM 869 CG PHE A 54 9.094 -0.618 -10.723 1.00 0.00 C ATOM 870 CD1 PHE A 54 10.350 -0.520 -10.147 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.520 -1.872 -10.859 1.00 0.00 C ATOM 872 CE1 PHE A 54 11.020 -1.649 -9.714 1.00 0.00 C ATOM 873 CE2 PHE A 54 9.185 -3.004 -10.428 1.00 0.00 C ATOM 874 CZ PHE A 54 10.437 -2.893 -9.856 1.00 0.00 C ATOM 0 H PHE A 54 6.603 -0.218 -9.634 1.00 0.00 H new ATOM 0 HA PHE A 54 8.558 1.575 -9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.557 0.313 -11.854 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.052 1.224 -11.779 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.811 0.450 -10.035 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.542 -1.966 -11.307 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.998 -1.558 -9.265 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.726 -3.975 -10.538 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.959 -3.777 -9.520 1.00 0.00 H new ATOM 884 N LYS A 55 6.194 2.949 -11.089 1.00 0.00 N ATOM 885 CA LYS A 55 5.701 4.214 -11.619 1.00 0.00 C ATOM 886 C LYS A 55 5.697 5.292 -10.539 1.00 0.00 C ATOM 887 O LYS A 55 6.271 6.365 -10.718 1.00 0.00 O ATOM 888 CB LYS A 55 4.290 4.039 -12.186 1.00 0.00 C ATOM 889 CG LYS A 55 3.871 5.153 -13.128 1.00 0.00 C ATOM 890 CD LYS A 55 2.820 4.680 -14.119 1.00 0.00 C ATOM 891 CE LYS A 55 1.445 4.593 -13.474 1.00 0.00 C ATOM 892 NZ LYS A 55 0.728 5.898 -13.520 1.00 0.00 N ATOM 0 H LYS A 55 5.530 2.177 -11.155 1.00 0.00 H new ATOM 0 HA LYS A 55 6.370 4.529 -12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.236 3.088 -12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.580 3.986 -11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.478 5.990 -12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.743 5.521 -13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.783 5.365 -14.966 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.102 3.703 -14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.852 3.834 -13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.549 4.272 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.205 5.798 -13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.282 6.616 -13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.606 6.192 -14.510 1.00 0.00 H new ATOM 906 N ASN A 56 5.046 4.997 -9.419 1.00 0.00 N ATOM 907 CA ASN A 56 4.967 5.941 -8.309 1.00 0.00 C ATOM 908 C ASN A 56 6.360 6.400 -7.887 1.00 0.00 C ATOM 909 O ASN A 56 6.619 7.597 -7.759 1.00 0.00 O ATOM 910 CB ASN A 56 4.246 5.304 -7.120 1.00 0.00 C ATOM 911 CG ASN A 56 5.196 4.576 -6.189 1.00 0.00 C ATOM 912 OD1 ASN A 56 5.328 3.353 -6.250 1.00 0.00 O ATOM 913 ND2 ASN A 56 5.865 5.327 -5.322 1.00 0.00 N ATOM 0 H ASN A 56 4.565 4.112 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 56 4.402 6.811 -8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.717 6.077 -6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.494 4.605 -7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.520 4.894 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.724 6.337 -5.307 1.00 0.00 H new ATOM 920 N LYS A 57 7.253 5.441 -7.672 1.00 0.00 N ATOM 921 CA LYS A 57 8.620 5.745 -7.266 1.00 0.00 C ATOM 922 C LYS A 57 9.105 7.039 -7.912 1.00 0.00 C ATOM 923 O LYS A 57 9.549 7.959 -7.225 1.00 0.00 O ATOM 924 CB LYS A 57 9.555 4.593 -7.643 1.00 0.00 C ATOM 925 CG LYS A 57 9.555 3.455 -6.637 1.00 0.00 C ATOM 926 CD LYS A 57 10.897 2.745 -6.599 1.00 0.00 C ATOM 927 CE LYS A 57 11.039 1.759 -7.749 1.00 0.00 C ATOM 928 NZ LYS A 57 10.519 0.410 -7.390 1.00 0.00 N ATOM 0 H LYS A 57 7.055 4.445 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 57 8.630 5.874 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.264 4.204 -8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.570 4.978 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.320 3.844 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.772 2.741 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.700 3.480 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.004 2.218 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.501 2.136 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.089 1.680 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.476 -0.184 -8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.151 -0.032 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.566 0.502 -6.984 1.00 0.00 H new ATOM 942 N VAL A 58 9.014 7.104 -9.236 1.00 0.00 N ATOM 943 CA VAL A 58 9.441 8.287 -9.974 1.00 0.00 C ATOM 944 C VAL A 58 8.433 8.651 -11.058 1.00 0.00 C ATOM 945 O VAL A 58 8.300 7.948 -12.060 1.00 0.00 O ATOM 946 CB VAL A 58 10.822 8.076 -10.623 1.00 0.00 C ATOM 947 CG1 VAL A 58 10.771 6.937 -11.630 1.00 0.00 C ATOM 948 CG2 VAL A 58 11.302 9.360 -11.282 1.00 0.00 C ATOM 0 H VAL A 58 8.649 6.352 -9.820 1.00 0.00 H new ATOM 0 HA VAL A 58 9.507 9.103 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 58 11.534 7.807 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.756 6.803 -12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.474 6.018 -11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.047 7.173 -12.410 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.279 9.193 -11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 58 10.591 9.662 -12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.380 10.147 -10.532 1.00 0.00 H new ATOM 958 N LYS A 59 7.724 9.756 -10.852 1.00 0.00 N ATOM 959 CA LYS A 59 6.728 10.217 -11.812 1.00 0.00 C ATOM 960 C LYS A 59 7.275 10.158 -13.234 1.00 0.00 C ATOM 961 O LYS A 59 8.464 9.915 -13.442 1.00 0.00 O ATOM 962 CB LYS A 59 6.293 11.646 -11.480 1.00 0.00 C ATOM 963 CG LYS A 59 7.334 12.695 -11.830 1.00 0.00 C ATOM 964 CD LYS A 59 8.278 12.952 -10.668 1.00 0.00 C ATOM 965 CE LYS A 59 7.593 13.727 -9.553 1.00 0.00 C ATOM 966 NZ LYS A 59 7.124 15.063 -10.012 1.00 0.00 N ATOM 0 H LYS A 59 7.821 10.349 -10.028 1.00 0.00 H new ATOM 0 HA LYS A 59 5.864 9.556 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.370 11.869 -12.015 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.068 11.710 -10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.905 12.367 -12.698 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.837 13.624 -12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.645 12.002 -10.280 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.146 13.510 -11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.745 13.153 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.285 13.852 -8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.405 15.786 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.551 15.283 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.088 15.055 -10.103 1.00 0.00 H new ATOM 980 N CYS A 60 6.401 10.383 -14.209 1.00 0.00 N ATOM 981 CA CYS A 60 6.798 10.357 -15.613 1.00 0.00 C ATOM 982 C CYS A 60 6.682 11.744 -16.237 1.00 0.00 C ATOM 983 O CYS A 60 7.652 12.278 -16.771 1.00 0.00 O ATOM 984 CB CYS A 60 5.935 9.361 -16.389 1.00 0.00 C ATOM 985 SG CYS A 60 6.657 8.824 -17.957 1.00 0.00 S ATOM 0 H CYS A 60 5.413 10.585 -14.054 1.00 0.00 H new ATOM 0 HA CYS A 60 7.840 10.042 -15.665 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.758 8.486 -15.764 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.963 9.814 -16.585 1.00 0.00 H new ATOM 0 HG CYS A 60 5.855 7.982 -18.538 1.00 0.00 H new ATOM 991 N GLY A 61 5.486 12.321 -16.166 1.00 0.00 N ATOM 992 CA GLY A 61 5.264 13.640 -16.730 1.00 0.00 C ATOM 993 C GLY A 61 5.602 14.751 -15.755 1.00 0.00 C ATOM 994 O GLY A 61 6.529 14.623 -14.954 1.00 0.00 O ATOM 0 H GLY A 61 4.667 11.899 -15.728 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.869 13.754 -17.630 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.221 13.731 -17.033 1.00 0.00 H new ATOM 998 N LEU A 62 4.852 15.844 -15.825 1.00 0.00 N ATOM 999 CA LEU A 62 5.077 16.984 -14.943 1.00 0.00 C ATOM 1000 C LEU A 62 3.955 17.110 -13.917 1.00 0.00 C ATOM 1001 O LEU A 62 2.976 17.822 -14.138 1.00 0.00 O ATOM 1002 CB LEU A 62 5.183 18.273 -15.760 1.00 0.00 C ATOM 1003 CG LEU A 62 6.346 18.347 -16.750 1.00 0.00 C ATOM 1004 CD1 LEU A 62 6.260 19.617 -17.582 1.00 0.00 C ATOM 1005 CD2 LEU A 62 7.677 18.278 -16.015 1.00 0.00 C ATOM 0 H LEU A 62 4.082 15.966 -16.483 1.00 0.00 H new ATOM 0 HA LEU A 62 6.014 16.820 -14.411 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.253 18.407 -16.312 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.267 19.112 -15.069 1.00 0.00 H new ATOM 0 HG LEU A 62 6.280 17.492 -17.423 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.096 19.652 -18.281 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.322 19.625 -18.138 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.300 20.486 -16.925 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.493 18.332 -16.735 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.752 19.113 -15.318 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.740 17.339 -15.464 1.00 0.00 H new ATOM 1017 N ASP A 63 4.106 16.415 -12.795 1.00 0.00 N ATOM 1018 CA ASP A 63 3.107 16.451 -11.733 1.00 0.00 C ATOM 1019 C ASP A 63 3.590 15.683 -10.507 1.00 0.00 C ATOM 1020 O ASP A 63 3.762 14.464 -10.552 1.00 0.00 O ATOM 1021 CB ASP A 63 1.784 15.866 -12.229 1.00 0.00 C ATOM 1022 CG ASP A 63 1.954 14.492 -12.846 1.00 0.00 C ATOM 1023 OD1 ASP A 63 2.044 13.506 -12.085 1.00 0.00 O ATOM 1024 OD2 ASP A 63 1.997 14.401 -14.091 1.00 0.00 O ATOM 0 H ASP A 63 4.910 15.820 -12.597 1.00 0.00 H new ATOM 0 HA ASP A 63 2.951 17.492 -11.449 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.083 15.803 -11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.345 16.540 -12.965 1.00 0.00 H new ATOM 1029 N LYS A 64 3.808 16.403 -9.412 1.00 0.00 N ATOM 1030 CA LYS A 64 4.271 15.790 -8.172 1.00 0.00 C ATOM 1031 C LYS A 64 3.095 15.442 -7.265 1.00 0.00 C ATOM 1032 O LYS A 64 2.431 16.327 -6.728 1.00 0.00 O ATOM 1033 CB LYS A 64 5.231 16.732 -7.441 1.00 0.00 C ATOM 1034 CG LYS A 64 5.666 16.220 -6.079 1.00 0.00 C ATOM 1035 CD LYS A 64 6.388 17.295 -5.284 1.00 0.00 C ATOM 1036 CE LYS A 64 5.415 18.314 -4.712 1.00 0.00 C ATOM 1037 NZ LYS A 64 4.512 17.707 -3.695 1.00 0.00 N ATOM 0 H LYS A 64 3.671 17.412 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 64 4.797 14.869 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.114 16.889 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.751 17.703 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.794 15.878 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.321 15.358 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.951 16.833 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.110 17.800 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.972 19.134 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.819 18.740 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.111 18.456 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.742 17.198 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.052 17.043 -3.104 1.00 0.00 H new ATOM 1051 N GLU A 65 2.845 14.147 -7.100 1.00 0.00 N ATOM 1052 CA GLU A 65 1.749 13.682 -6.257 1.00 0.00 C ATOM 1053 C GLU A 65 2.230 13.425 -4.832 1.00 0.00 C ATOM 1054 O GLU A 65 1.459 13.522 -3.877 1.00 0.00 O ATOM 1055 CB GLU A 65 1.135 12.407 -6.838 1.00 0.00 C ATOM 1056 CG GLU A 65 1.958 11.158 -6.570 1.00 0.00 C ATOM 1057 CD GLU A 65 3.231 11.111 -7.392 1.00 0.00 C ATOM 1058 OE1 GLU A 65 3.170 11.420 -8.600 1.00 0.00 O ATOM 1059 OE2 GLU A 65 4.290 10.766 -6.826 1.00 0.00 O ATOM 0 H GLU A 65 3.386 13.402 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 65 0.989 14.463 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.137 12.271 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.016 12.529 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.212 11.115 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.356 10.276 -6.789 1.00 0.00 H new ATOM 1066 N THR A 66 3.511 13.096 -4.696 1.00 0.00 N ATOM 1067 CA THR A 66 4.096 12.822 -3.390 1.00 0.00 C ATOM 1068 C THR A 66 5.613 12.708 -3.479 1.00 0.00 C ATOM 1069 O THR A 66 6.163 12.152 -4.430 1.00 0.00 O ATOM 1070 CB THR A 66 3.530 11.525 -2.781 1.00 0.00 C ATOM 1071 OG1 THR A 66 4.002 11.367 -1.439 1.00 0.00 O ATOM 1072 CG2 THR A 66 3.934 10.317 -3.612 1.00 0.00 C ATOM 0 H THR A 66 4.163 13.013 -5.476 1.00 0.00 H new ATOM 0 HA THR A 66 3.835 13.661 -2.746 1.00 0.00 H new ATOM 0 HB THR A 66 2.442 11.596 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.636 10.541 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.523 9.413 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.548 10.427 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.021 10.245 -3.644 1.00 0.00 H new ATOM 1080 N PRO A 67 6.309 13.246 -2.466 1.00 0.00 N ATOM 1081 CA PRO A 67 7.773 13.215 -2.407 1.00 0.00 C ATOM 1082 C PRO A 67 8.314 11.811 -2.163 1.00 0.00 C ATOM 1083 O PRO A 67 7.553 10.875 -1.927 1.00 0.00 O ATOM 1084 CB PRO A 67 8.099 14.128 -1.223 1.00 0.00 C ATOM 1085 CG PRO A 67 6.884 14.082 -0.362 1.00 0.00 C ATOM 1086 CD PRO A 67 5.719 13.924 -1.300 1.00 0.00 C ATOM 0 HA PRO A 67 8.226 13.534 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 67 8.979 13.778 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.311 15.145 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.935 13.251 0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.789 14.993 0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.920 13.332 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.288 14.888 -1.571 1.00 0.00 H new ATOM 1094 N ASN A 68 9.635 11.673 -2.219 1.00 0.00 N ATOM 1095 CA ASN A 68 10.278 10.382 -2.004 1.00 0.00 C ATOM 1096 C ASN A 68 11.058 10.375 -0.693 1.00 0.00 C ATOM 1097 O ASN A 68 11.886 11.252 -0.447 1.00 0.00 O ATOM 1098 CB ASN A 68 11.214 10.054 -3.169 1.00 0.00 C ATOM 1099 CG ASN A 68 10.464 9.575 -4.396 1.00 0.00 C ATOM 1100 OD1 ASN A 68 10.061 8.414 -4.477 1.00 0.00 O ATOM 1101 ND2 ASN A 68 10.273 10.469 -5.360 1.00 0.00 N ATOM 0 H ASN A 68 10.280 12.439 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 68 9.499 9.621 -1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.795 10.940 -3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.923 9.287 -2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.775 10.204 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.624 11.420 -5.250 1.00 0.00 H new ATOM 1108 N GLN A 69 10.789 9.379 0.145 1.00 0.00 N ATOM 1109 CA GLN A 69 11.466 9.258 1.431 1.00 0.00 C ATOM 1110 C GLN A 69 11.338 7.842 1.982 1.00 0.00 C ATOM 1111 O GLN A 69 10.233 7.337 2.178 1.00 0.00 O ATOM 1112 CB GLN A 69 10.888 10.261 2.431 1.00 0.00 C ATOM 1113 CG GLN A 69 11.460 11.662 2.287 1.00 0.00 C ATOM 1114 CD GLN A 69 11.159 12.542 3.484 1.00 0.00 C ATOM 1115 OE1 GLN A 69 11.151 12.076 4.624 1.00 0.00 O ATOM 1116 NE2 GLN A 69 10.910 13.821 3.232 1.00 0.00 N ATOM 0 H GLN A 69 10.107 8.644 -0.043 1.00 0.00 H new ATOM 0 HA GLN A 69 12.523 9.475 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.806 10.305 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.077 9.903 3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.540 11.597 2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.053 12.126 1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.927 14.164 2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.701 14.461 3.999 1.00 0.00 H new ATOM 1125 N LYS A 70 12.478 7.204 2.230 1.00 0.00 N ATOM 1126 CA LYS A 70 12.495 5.846 2.760 1.00 0.00 C ATOM 1127 C LYS A 70 13.030 5.826 4.188 1.00 0.00 C ATOM 1128 O LYS A 70 13.982 6.535 4.516 1.00 0.00 O ATOM 1129 CB LYS A 70 13.351 4.941 1.871 1.00 0.00 C ATOM 1130 CG LYS A 70 13.241 3.467 2.219 1.00 0.00 C ATOM 1131 CD LYS A 70 14.235 3.074 3.300 1.00 0.00 C ATOM 1132 CE LYS A 70 14.347 1.563 3.431 1.00 0.00 C ATOM 1133 NZ LYS A 70 15.028 0.953 2.256 1.00 0.00 N ATOM 0 H LYS A 70 13.402 7.606 2.072 1.00 0.00 H new ATOM 0 HA LYS A 70 11.471 5.473 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.056 5.083 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.394 5.248 1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.228 3.246 2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.417 2.867 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.213 3.494 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.925 3.501 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.899 1.317 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.351 1.133 3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.327 -0.015 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.372 0.926 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.862 1.521 2.004 1.00 0.00 H new ATOM 1147 N THR A 71 12.413 5.008 5.035 1.00 0.00 N ATOM 1148 CA THR A 71 12.827 4.895 6.428 1.00 0.00 C ATOM 1149 C THR A 71 13.618 3.613 6.664 1.00 0.00 C ATOM 1150 O THR A 71 13.043 2.557 6.921 1.00 0.00 O ATOM 1151 CB THR A 71 11.615 4.920 7.378 1.00 0.00 C ATOM 1152 OG1 THR A 71 10.823 6.087 7.131 1.00 0.00 O ATOM 1153 CG2 THR A 71 12.066 4.904 8.831 1.00 0.00 C ATOM 0 H THR A 71 11.624 4.414 4.780 1.00 0.00 H new ATOM 0 HA THR A 71 13.463 5.755 6.640 1.00 0.00 H new ATOM 0 HB THR A 71 11.016 4.029 7.191 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.054 6.095 7.738 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.193 4.922 9.483 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.643 4.000 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.685 5.779 9.029 1.00 0.00 H new ATOM 1161 N GLY A 72 14.941 3.715 6.576 1.00 0.00 N ATOM 1162 CA GLY A 72 15.789 2.556 6.784 1.00 0.00 C ATOM 1163 C GLY A 72 16.127 2.339 8.245 1.00 0.00 C ATOM 1164 O GLY A 72 16.172 3.289 9.026 1.00 0.00 O ATOM 0 H GLY A 72 15.440 4.579 6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.289 1.669 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.711 2.678 6.215 1.00 0.00 H new TER 1168 GLY A 72