USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 590 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 79 THR OG1 : rot 180:sc= -0.932 USER MOD Set 1.2: A 87 GLN : amide:sc= -9.44! C(o=-10!,f=-23!) USER MOD Set 2.1: A 66 ASN : amide:sc= -11.2! C(o=-28!,f=-28!) USER MOD Set 2.2: A 73 GLN : amide:sc= -16.4! C(o=-28!,f=-27!) USER MOD Set 3.1: A 69 SER OG : rot -67:sc= 0.737 USER MOD Set 3.2: A 70 ASN : amide:sc= -0.187 K(o=0.55,f=-2.4) USER MOD Set 4.1: A 31 THR OG1 : rot 156:sc= -8.29! USER MOD Set 4.2: A 39 GLN : amide:sc= -8.56! C(o=-17!,f=-17!) USER MOD Set 5.1: A 1 GLY N :NH3+ -156:sc= -22.1! (180deg=-14.1!) USER MOD Set 5.2: A 22 ASN : amide:sc= -6.84! C(o=-54!,f=-60!) USER MOD Set 5.3: A 23 ASN : amide:sc= -25.3! C(o=-54!,f=-62!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.932 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.49) USER MOD Single : A 12 ASN : amide:sc= -2.1! C(o=-2.1!,f=-6.8!) USER MOD Single : A 13 ASN : amide:sc= -2.29 K(o=-2.3,f=-3.6!) USER MOD Single : A 18 ASN : amide:sc= -10.8! C(o=-11!,f=-17!) USER MOD Single : A 21 SER OG : rot 41:sc= 1.01 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -8:sc= 0.782 USER MOD Single : A 34 SER OG : rot -37:sc= 0.385 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 53:sc= -2.71! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= -0.883! (180deg=-1.78!) USER MOD Single : A 53 THR OG1 : rot -138:sc= -6.85! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.1) USER MOD Single : A 71 SER OG : rot 28:sc= 1.64! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -71:sc= 0.308 USER MOD Single : A 82 SER OG : rot 34:sc= 0.767 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.189 -5.474 3.907 1.00 1.00 N ATOM 2 CA GLY A 1 6.703 -6.512 3.337 1.00 1.00 C ATOM 3 C GLY A 1 6.426 -7.559 4.397 1.00 1.00 C ATOM 4 O GLY A 1 7.378 -8.014 5.040 1.00 1.00 O ATOM 0 H1 GLY A 1 7.011 -4.638 3.315 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.737 -5.344 4.835 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.214 -5.596 4.035 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.785 -6.258 2.807 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.402 -6.899 2.596 1.00 1.00 H new ATOM 10 N SER A 2 5.141 -8.115 4.500 1.00 1.00 N ATOM 11 CA SER A 2 4.933 -9.255 5.372 1.00 1.00 C ATOM 12 C SER A 2 3.884 -10.029 4.754 1.00 1.00 C ATOM 13 O SER A 2 4.134 -11.122 4.214 1.00 1.00 O ATOM 14 CB SER A 2 4.631 -8.848 6.769 1.00 1.00 C ATOM 15 OG SER A 2 4.954 -9.901 7.667 1.00 1.00 O ATOM 0 H SER A 2 4.314 -7.782 4.004 1.00 1.00 H new ATOM 0 HA SER A 2 5.836 -9.856 5.475 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.199 -7.954 7.026 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.575 -8.592 6.861 1.00 1.00 H new ATOM 0 HG SER A 2 4.753 -9.622 8.585 1.00 1.00 H new ATOM 21 N GLY A 3 2.732 -9.573 4.835 1.00 1.00 N ATOM 22 CA GLY A 3 1.641 -10.272 4.270 1.00 1.00 C ATOM 23 C GLY A 3 0.525 -9.349 3.970 1.00 1.00 C ATOM 24 O GLY A 3 0.593 -8.174 4.281 1.00 1.00 O ATOM 0 H GLY A 3 2.489 -8.696 5.295 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.959 -10.774 3.356 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.303 -11.046 4.959 1.00 1.00 H new ATOM 28 N PRO A 4 -0.540 -9.853 3.383 1.00 1.00 N ATOM 29 CA PRO A 4 -1.719 -9.018 3.059 1.00 1.00 C ATOM 30 C PRO A 4 -2.147 -8.445 4.203 1.00 1.00 C ATOM 31 O PRO A 4 -2.994 -9.004 4.872 1.00 1.00 O ATOM 32 CB PRO A 4 -2.772 -9.993 2.499 1.00 1.00 C ATOM 33 CG PRO A 4 -2.219 -11.377 2.822 1.00 1.00 C ATOM 34 CD PRO A 4 -0.696 -11.213 2.998 1.00 1.00 C ATOM 0 HA PRO A 4 -1.510 -8.227 2.339 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.745 -9.836 2.964 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.906 -9.859 1.426 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.673 -11.774 3.730 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.443 -12.080 2.020 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.307 -11.890 3.758 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.161 -11.430 2.073 1.00 1.00 H new ATOM 42 N THR A 5 -1.654 -7.360 4.516 1.00 1.00 N ATOM 43 CA THR A 5 -2.005 -6.722 5.685 1.00 1.00 C ATOM 44 C THR A 5 -0.935 -5.895 6.162 1.00 1.00 C ATOM 45 O THR A 5 -1.188 -5.122 6.956 1.00 1.00 O ATOM 46 CB THR A 5 -2.309 -7.685 6.901 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.064 -6.991 8.133 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.412 -9.001 6.884 1.00 1.00 C ATOM 0 H THR A 5 -0.966 -6.861 3.952 1.00 1.00 H new ATOM 0 HA THR A 5 -2.903 -6.172 5.404 1.00 1.00 H new ATOM 0 HB THR A 5 -3.353 -7.985 6.813 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.292 -6.044 8.026 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.664 -9.624 7.742 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.598 -9.556 5.965 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.359 -8.724 6.934 1.00 1.00 H new ATOM 56 N TYR A 6 0.495 -6.232 5.834 1.00 1.00 N ATOM 57 CA TYR A 6 1.522 -5.491 6.544 1.00 1.00 C ATOM 58 C TYR A 6 1.245 -4.309 6.754 1.00 1.00 C ATOM 59 O TYR A 6 1.712 -3.698 7.741 1.00 1.00 O ATOM 60 CB TYR A 6 2.913 -5.534 6.073 1.00 1.00 C ATOM 61 CG TYR A 6 3.846 -5.064 7.492 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.176 -6.025 8.475 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.249 -3.696 7.740 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.885 -5.657 9.629 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.954 -3.365 8.899 1.00 1.00 C ATOM 66 CZ TYR A 6 5.272 -4.338 9.832 1.00 1.00 C ATOM 67 OH TYR A 6 5.966 -3.991 10.972 1.00 1.00 O ATOM 0 H TYR A 6 0.814 -6.930 5.162 1.00 1.00 H new ATOM 0 HA TYR A 6 1.501 -6.089 7.455 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.188 -6.530 5.724 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.076 -4.849 5.241 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.879 -7.054 8.336 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.003 -2.926 7.024 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.132 -6.406 10.366 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.254 -2.342 9.069 1.00 1.00 H new ATOM 0 HH TYR A 6 6.160 -3.031 10.957 1.00 1.00 H new ATOM 77 N CYS A 7 0.455 -3.799 5.930 1.00 1.00 N ATOM 78 CA CYS A 7 0.093 -2.576 6.095 1.00 1.00 C ATOM 79 C CYS A 7 1.150 -1.627 6.247 1.00 1.00 C ATOM 80 O CYS A 7 1.144 -0.828 7.202 1.00 1.00 O ATOM 81 CB CYS A 7 -0.758 -2.525 7.303 1.00 1.00 C ATOM 82 SG CYS A 7 -1.522 -0.837 7.497 1.00 1.00 S ATOM 0 H CYS A 7 0.060 -4.273 5.118 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.421 -2.285 5.179 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.542 -3.279 7.234 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.163 -2.764 8.184 1.00 1.00 H new ATOM 87 N TRP A 8 2.019 -1.611 5.322 1.00 1.00 N ATOM 88 CA TRP A 8 3.034 -0.587 5.379 1.00 1.00 C ATOM 89 C TRP A 8 2.249 0.695 5.688 1.00 1.00 C ATOM 90 O TRP A 8 1.468 1.083 4.855 1.00 1.00 O ATOM 91 CB TRP A 8 3.703 -0.396 4.105 1.00 1.00 C ATOM 92 CG TRP A 8 4.955 0.571 4.350 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.275 1.756 3.653 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.027 0.450 5.414 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.435 2.273 4.161 1.00 1.00 N ATOM 96 CE2 TRP A 8 6.930 1.515 5.261 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.308 -0.509 6.498 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.040 1.651 6.109 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.413 -0.338 7.320 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.270 0.724 7.133 1.00 1.00 C ATOM 0 H TRP A 8 2.071 -2.257 4.535 1.00 1.00 H new ATOM 0 HA TRP A 8 3.801 -0.849 6.107 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.033 -1.353 3.699 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.020 0.041 3.376 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.697 2.185 2.848 1.00 1.00 H new ATOM 0 HE1 TRP A 8 6.894 3.107 3.794 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.649 -1.351 6.653 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.722 2.477 5.971 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.603 -1.045 8.114 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.126 0.843 7.781 1.00 1.00 H new ATOM 111 N ASN A 9 2.307 1.267 6.888 1.00 1.00 N ATOM 112 CA ASN A 9 1.426 2.372 7.193 1.00 1.00 C ATOM 113 C ASN A 9 1.131 3.282 6.066 1.00 1.00 C ATOM 114 O ASN A 9 0.022 3.798 5.959 1.00 1.00 O ATOM 115 CB ASN A 9 1.957 3.153 8.385 1.00 1.00 C ATOM 116 CG ASN A 9 2.072 2.233 9.592 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.147 1.473 9.885 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.161 2.252 10.316 1.00 1.00 N ATOM 0 H ASN A 9 2.938 0.989 7.640 1.00 1.00 H new ATOM 0 HA ASN A 9 0.468 1.911 7.432 1.00 1.00 H new ATOM 0 HB2 ASN A 9 2.931 3.580 8.147 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.291 3.985 8.612 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.246 1.637 11.125 1.00 1.00 H new ATOM 0 HD22 ASN A 9 3.925 2.882 10.071 1.00 1.00 H new ATOM 125 N GLU A 10 2.059 3.502 5.280 1.00 1.00 N ATOM 126 CA GLU A 10 1.913 4.409 4.140 1.00 1.00 C ATOM 127 C GLU A 10 1.126 5.627 4.479 1.00 1.00 C ATOM 128 O GLU A 10 0.229 6.041 3.737 1.00 1.00 O ATOM 129 CB GLU A 10 1.288 3.774 2.872 1.00 1.00 C ATOM 130 CG GLU A 10 2.097 2.613 2.413 1.00 1.00 C ATOM 131 CD GLU A 10 1.216 1.576 1.684 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.336 1.991 0.949 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.444 0.392 1.873 1.00 1.00 O ATOM 0 H GLU A 10 2.983 3.077 5.361 1.00 1.00 H new ATOM 0 HA GLU A 10 2.945 4.671 3.907 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.269 3.452 3.085 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.228 4.518 2.078 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.887 2.957 1.745 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.584 2.144 3.268 1.00 1.00 H new ATOM 140 N ALA A 11 1.539 6.246 5.509 1.00 1.00 N ATOM 141 CA ALA A 11 1.036 7.411 5.871 1.00 1.00 C ATOM 142 C ALA A 11 1.906 7.900 6.905 1.00 1.00 C ATOM 143 O ALA A 11 1.943 7.342 7.994 1.00 1.00 O ATOM 144 CB ALA A 11 -0.364 7.323 6.320 1.00 1.00 C ATOM 0 H ALA A 11 2.276 5.898 6.123 1.00 1.00 H new ATOM 0 HA ALA A 11 0.995 8.093 5.022 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.718 8.314 6.604 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.982 6.935 5.510 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -0.429 6.655 7.179 1.00 1.00 H new ATOM 150 N ASN A 12 2.531 8.917 6.633 1.00 1.00 N ATOM 151 CA ASN A 12 3.433 9.611 7.580 1.00 1.00 C ATOM 152 C ASN A 12 4.542 10.525 6.777 1.00 1.00 C ATOM 153 O ASN A 12 5.698 10.613 7.172 1.00 1.00 O ATOM 154 CB ASN A 12 4.107 8.576 8.555 1.00 1.00 C ATOM 155 CG ASN A 12 5.454 9.066 9.074 1.00 1.00 C ATOM 156 OD1 ASN A 12 6.491 8.775 8.481 1.00 1.00 O ATOM 157 ND2 ASN A 12 5.499 9.801 10.152 1.00 1.00 N ATOM 0 H ASN A 12 2.477 9.370 5.721 1.00 1.00 H new ATOM 0 HA ASN A 12 2.842 10.296 8.189 1.00 1.00 H new ATOM 0 HB2 ASN A 12 3.442 8.387 9.398 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.243 7.627 8.037 1.00 1.00 H new ATOM 0 HD21 ASN A 12 6.396 10.135 10.504 1.00 1.00 H new ATOM 0 HD22 ASN A 12 4.637 10.041 10.642 1.00 1.00 H new ATOM 164 N ASN A 13 4.088 11.283 5.719 1.00 1.00 N ATOM 165 CA ASN A 13 4.971 12.208 5.035 1.00 1.00 C ATOM 166 C ASN A 13 4.226 13.024 3.904 1.00 1.00 C ATOM 167 O ASN A 13 3.198 12.593 3.388 1.00 1.00 O ATOM 168 CB ASN A 13 6.165 11.490 4.428 1.00 1.00 C ATOM 169 CG ASN A 13 7.501 12.222 4.749 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.136 12.780 3.855 1.00 1.00 O ATOM 171 ND2 ASN A 13 7.946 12.243 5.976 1.00 1.00 N ATOM 0 H ASN A 13 3.136 11.251 5.354 1.00 1.00 H new ATOM 0 HA ASN A 13 5.318 12.909 5.794 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.208 10.470 4.809 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.038 11.422 3.348 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.820 12.722 6.193 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.420 11.781 6.717 1.00 1.00 H new ATOM 178 N PRO A 14 4.800 14.192 3.511 1.00 1.00 N ATOM 179 CA PRO A 14 4.263 15.073 2.432 1.00 1.00 C ATOM 180 C PRO A 14 4.914 14.763 1.048 1.00 1.00 C ATOM 181 O PRO A 14 4.517 15.316 0.022 1.00 1.00 O ATOM 182 CB PRO A 14 4.637 16.492 2.911 1.00 1.00 C ATOM 183 CG PRO A 14 5.547 16.257 4.093 1.00 1.00 C ATOM 184 CD PRO A 14 5.953 14.775 4.035 1.00 1.00 C ATOM 0 HA PRO A 14 3.193 14.936 2.278 1.00 1.00 H new ATOM 0 HB2 PRO A 14 5.141 17.057 2.127 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.753 17.062 3.196 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.424 16.903 4.044 1.00 1.00 H new ATOM 0 HG3 PRO A 14 5.036 16.484 5.029 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.822 14.612 3.397 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.202 14.379 5.019 1.00 1.00 H new ATOM 192 N GLY A 15 5.868 13.867 1.054 1.00 1.00 N ATOM 193 CA GLY A 15 6.563 13.428 -0.188 1.00 1.00 C ATOM 194 C GLY A 15 6.171 12.095 -0.437 1.00 1.00 C ATOM 195 O GLY A 15 6.910 11.320 -0.693 1.00 1.00 O ATOM 0 H GLY A 15 6.203 13.408 1.901 1.00 1.00 H new ATOM 0 HA2 GLY A 15 6.295 14.071 -1.026 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.644 13.495 -0.068 1.00 1.00 H new ATOM 199 N GLY A 16 4.917 11.864 -0.315 1.00 1.00 N ATOM 200 CA GLY A 16 4.357 10.528 -0.474 1.00 1.00 C ATOM 201 C GLY A 16 3.952 10.090 0.888 1.00 1.00 C ATOM 202 O GLY A 16 3.805 10.934 1.768 1.00 1.00 O ATOM 0 H GLY A 16 4.227 12.584 -0.101 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.502 10.541 -1.150 1.00 1.00 H new ATOM 0 HA3 GLY A 16 5.091 9.845 -0.901 1.00 1.00 H new ATOM 206 N PRO A 17 3.740 8.823 1.144 1.00 1.00 N ATOM 207 CA PRO A 17 3.318 8.390 2.508 1.00 1.00 C ATOM 208 C PRO A 17 4.441 8.524 3.344 1.00 1.00 C ATOM 209 O PRO A 17 5.344 9.292 2.998 1.00 1.00 O ATOM 210 CB PRO A 17 2.984 6.878 2.240 1.00 1.00 C ATOM 211 CG PRO A 17 2.839 6.794 0.788 1.00 1.00 C ATOM 212 CD PRO A 17 3.839 7.740 0.256 1.00 1.00 C ATOM 0 HA PRO A 17 2.496 8.935 2.972 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.779 6.225 2.599 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.069 6.576 2.750 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.022 5.781 0.430 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.831 7.065 0.474 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.841 7.310 0.251 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.613 8.034 -0.769 1.00 1.00 H new ATOM 220 N ASN A 18 4.513 7.712 4.525 1.00 1.00 N ATOM 221 CA ASN A 18 5.756 7.735 5.374 1.00 1.00 C ATOM 222 C ASN A 18 6.919 7.784 4.424 1.00 1.00 C ATOM 223 O ASN A 18 8.079 7.925 4.809 1.00 1.00 O ATOM 224 CB ASN A 18 5.884 6.414 6.281 1.00 1.00 C ATOM 225 CG ASN A 18 4.641 5.560 6.152 1.00 1.00 C ATOM 226 OD1 ASN A 18 3.596 5.902 6.684 1.00 1.00 O ATOM 227 ND2 ASN A 18 4.699 4.447 5.470 1.00 1.00 N ATOM 0 H ASN A 18 3.770 7.096 4.856 1.00 1.00 H new ATOM 0 HA ASN A 18 5.726 8.592 6.047 1.00 1.00 H new ATOM 0 HB2 ASN A 18 6.760 5.840 5.977 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.033 6.695 7.324 1.00 1.00 H new ATOM 0 HD21 ASN A 18 3.870 3.860 5.380 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.574 4.165 5.027 1.00 1.00 H new ATOM 234 N ARG A 19 6.526 7.615 3.169 1.00 1.00 N ATOM 235 CA ARG A 19 7.285 7.583 2.091 1.00 1.00 C ATOM 236 C ARG A 19 7.672 6.350 1.989 1.00 1.00 C ATOM 237 O ARG A 19 8.677 5.992 2.528 1.00 1.00 O ATOM 238 CB ARG A 19 8.427 8.703 2.094 1.00 1.00 C ATOM 239 CG ARG A 19 8.004 9.810 1.081 1.00 1.00 C ATOM 240 CD ARG A 19 8.393 9.385 -0.436 1.00 1.00 C ATOM 241 NE ARG A 19 9.020 10.516 -1.151 1.00 1.00 N ATOM 242 CZ ARG A 19 8.795 10.730 -2.463 1.00 1.00 C ATOM 243 NH1 ARG A 19 8.051 9.905 -3.147 1.00 1.00 N ATOM 244 NH2 ARG A 19 9.327 11.763 -3.054 1.00 1.00 N ATOM 0 H ARG A 19 5.540 7.490 2.940 1.00 1.00 H new ATOM 0 HA ARG A 19 6.749 7.861 1.183 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.548 9.124 3.092 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.387 8.272 1.811 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.930 9.981 1.151 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.494 10.749 1.337 1.00 1.00 H new ATOM 0 HD2 ARG A 19 9.077 8.536 -0.417 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.499 9.062 -0.969 1.00 1.00 H new ATOM 0 HE ARG A 19 9.636 11.149 -0.641 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.636 9.093 -2.689 1.00 1.00 H new ATOM 0 HH12 ARG A 19 7.884 10.072 -4.139 1.00 1.00 H new ATOM 0 HH21 ARG A 19 9.913 12.408 -2.524 1.00 1.00 H new ATOM 0 HH22 ARG A 19 9.158 11.926 -4.047 1.00 1.00 H new ATOM 258 N CYS A 20 6.670 5.450 1.161 1.00 1.00 N ATOM 259 CA CYS A 20 6.881 3.990 0.923 1.00 1.00 C ATOM 260 C CYS A 20 8.321 3.914 1.409 1.00 1.00 C ATOM 261 O CYS A 20 9.184 4.643 0.877 1.00 1.00 O ATOM 262 CB CYS A 20 6.591 3.667 -0.657 1.00 1.00 C ATOM 263 SG CYS A 20 6.693 1.781 -1.232 1.00 1.00 S ATOM 0 H CYS A 20 5.816 5.813 0.738 1.00 1.00 H new ATOM 0 HA CYS A 20 6.246 3.252 1.414 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.596 4.040 -0.900 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.301 4.240 -1.254 1.00 1.00 H new ATOM 268 N SER A 21 8.578 3.199 2.395 1.00 1.00 N ATOM 269 CA SER A 21 9.971 3.241 3.016 1.00 1.00 C ATOM 270 C SER A 21 10.594 1.866 3.439 1.00 1.00 C ATOM 271 O SER A 21 11.599 1.840 4.143 1.00 1.00 O ATOM 272 CB SER A 21 9.809 4.164 4.260 1.00 1.00 C ATOM 273 OG SER A 21 10.588 3.665 5.343 1.00 1.00 O ATOM 0 H SER A 21 7.919 2.563 2.844 1.00 1.00 H new ATOM 0 HA SER A 21 10.676 3.596 2.264 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.122 5.178 4.013 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.760 4.216 4.550 1.00 1.00 H new ATOM 0 HG SER A 21 11.452 3.348 5.006 1.00 1.00 H new ATOM 279 N ASN A 22 10.013 0.769 3.015 1.00 1.00 N ATOM 280 CA ASN A 22 10.545 -0.519 3.370 1.00 1.00 C ATOM 281 C ASN A 22 10.061 -1.538 2.454 1.00 1.00 C ATOM 282 O ASN A 22 9.062 -1.370 1.827 1.00 1.00 O ATOM 283 CB ASN A 22 10.084 -0.837 4.791 1.00 1.00 C ATOM 284 CG ASN A 22 11.120 -1.634 5.590 1.00 1.00 C ATOM 285 OD1 ASN A 22 10.754 -2.321 6.549 1.00 1.00 O ATOM 286 ND2 ASN A 22 12.393 -1.599 5.264 1.00 1.00 N ATOM 0 H ASN A 22 9.179 0.745 2.429 1.00 1.00 H new ATOM 0 HA ASN A 22 11.633 -0.504 3.312 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.867 0.094 5.314 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.153 -1.402 4.748 1.00 1.00 H new ATOM 0 HD21 ASN A 22 13.072 -2.137 5.802 1.00 1.00 H new ATOM 0 HD22 ASN A 22 12.702 -1.034 4.473 1.00 1.00 H new ATOM 293 N ASN A 23 10.738 -2.678 2.432 1.00 1.00 N ATOM 294 CA ASN A 23 10.272 -3.729 1.638 1.00 1.00 C ATOM 295 C ASN A 23 9.904 -3.232 0.227 1.00 1.00 C ATOM 296 O ASN A 23 8.744 -3.286 -0.162 1.00 1.00 O ATOM 297 CB ASN A 23 9.032 -4.327 2.401 1.00 1.00 C ATOM 298 CG ASN A 23 8.846 -3.675 3.755 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.764 -3.215 4.088 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.816 -3.615 4.529 1.00 1.00 N ATOM 0 H ASN A 23 11.593 -2.866 2.956 1.00 1.00 H new ATOM 0 HA ASN A 23 11.034 -4.493 1.487 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.132 -4.186 1.802 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.165 -5.401 2.529 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.711 -3.181 5.446 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.718 -4.000 4.248 1.00 1.00 H new ATOM 307 N LYS A 24 10.910 -2.594 -0.481 1.00 1.00 N ATOM 308 CA LYS A 24 10.658 -1.926 -1.794 1.00 1.00 C ATOM 309 C LYS A 24 9.841 -0.647 -1.502 1.00 1.00 C ATOM 310 O LYS A 24 9.077 -0.166 -2.339 1.00 1.00 O ATOM 311 CB LYS A 24 9.944 -2.817 -2.796 1.00 1.00 C ATOM 312 CG LYS A 24 10.901 -3.624 -3.641 1.00 1.00 C ATOM 313 CD LYS A 24 10.108 -4.900 -4.159 1.00 1.00 C ATOM 314 CE LYS A 24 10.697 -5.449 -5.433 1.00 1.00 C ATOM 315 NZ LYS A 24 10.224 -4.632 -6.568 1.00 1.00 N ATOM 0 H LYS A 24 11.877 -2.536 -0.162 1.00 1.00 H new ATOM 0 HA LYS A 24 11.613 -1.689 -2.263 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.276 -3.494 -2.263 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.322 -2.201 -3.446 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.267 -3.032 -4.480 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.772 -3.923 -3.057 1.00 1.00 H new ATOM 0 HD2 LYS A 24 10.122 -5.673 -3.390 1.00 1.00 H new ATOM 0 HD3 LYS A 24 9.064 -4.635 -4.326 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.786 -5.431 -5.383 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.401 -6.489 -5.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.625 -5.002 -7.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.186 -4.671 -6.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.528 -3.646 -6.436 1.00 1.00 H new ATOM 329 N GLN A 25 10.064 -0.141 -0.233 1.00 1.00 N ATOM 330 CA GLN A 25 9.457 1.022 0.287 1.00 1.00 C ATOM 331 C GLN A 25 8.062 0.773 0.757 1.00 1.00 C ATOM 332 O GLN A 25 7.529 1.567 1.371 1.00 1.00 O ATOM 333 CB GLN A 25 9.538 2.190 -0.745 1.00 1.00 C ATOM 334 CG GLN A 25 10.912 2.871 -0.678 1.00 1.00 C ATOM 335 CD GLN A 25 11.867 2.262 -1.714 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.647 1.369 -1.392 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.838 2.697 -2.944 1.00 1.00 N ATOM 0 H GLN A 25 10.699 -0.587 0.429 1.00 1.00 H new ATOM 0 HA GLN A 25 10.017 1.322 1.172 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.364 1.808 -1.751 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.754 2.919 -0.541 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.803 3.940 -0.860 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.331 2.759 0.322 1.00 1.00 H new ATOM 0 HE21 GLN A 25 11.189 3.438 -3.208 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.464 2.295 -3.642 1.00 1.00 H new ATOM 346 N CYS A 26 7.466 -0.332 0.476 1.00 1.00 N ATOM 347 CA CYS A 26 6.047 -0.531 0.965 1.00 1.00 C ATOM 348 C CYS A 26 5.979 -1.535 2.226 1.00 1.00 C ATOM 349 O CYS A 26 6.795 -1.415 3.108 1.00 1.00 O ATOM 350 CB CYS A 26 5.178 -0.872 -0.302 1.00 1.00 C ATOM 351 SG CYS A 26 4.832 0.827 -1.171 1.00 1.00 S ATOM 0 H CYS A 26 7.867 -1.104 -0.057 1.00 1.00 H new ATOM 0 HA CYS A 26 5.612 0.367 1.404 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.708 -1.552 -0.969 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.247 -1.364 -0.018 1.00 1.00 H new ATOM 356 N ASP A 27 5.030 -2.488 2.209 1.00 1.00 N ATOM 357 CA ASP A 27 4.811 -3.483 3.183 1.00 1.00 C ATOM 358 C ASP A 27 3.534 -4.094 2.889 1.00 1.00 C ATOM 359 O ASP A 27 2.593 -3.439 2.442 1.00 1.00 O ATOM 360 CB ASP A 27 4.969 -3.029 4.633 1.00 1.00 C ATOM 361 CG ASP A 27 5.647 -4.105 5.485 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.336 -5.263 5.307 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.473 -3.742 6.311 1.00 1.00 O ATOM 0 H ASP A 27 4.364 -2.557 1.440 1.00 1.00 H new ATOM 0 HA ASP A 27 5.608 -4.224 3.113 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.557 -2.112 4.667 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.990 -2.795 5.051 1.00 1.00 H new ATOM 368 N GLY A 28 3.513 -5.388 3.035 1.00 1.00 N ATOM 369 CA GLY A 28 2.412 -6.182 2.702 1.00 1.00 C ATOM 370 C GLY A 28 2.874 -7.554 2.030 1.00 1.00 C ATOM 371 O GLY A 28 2.146 -8.132 1.329 1.00 1.00 O ATOM 0 H GLY A 28 4.302 -5.919 3.405 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.827 -6.391 3.597 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.762 -5.638 2.016 1.00 1.00 H new ATOM 375 N ALA A 29 4.105 -8.008 2.359 1.00 1.00 N ATOM 376 CA ALA A 29 4.695 -9.273 1.880 1.00 1.00 C ATOM 377 C ALA A 29 6.074 -9.093 1.440 1.00 1.00 C ATOM 378 O ALA A 29 6.825 -10.060 1.359 1.00 1.00 O ATOM 379 CB ALA A 29 3.830 -9.952 0.738 1.00 1.00 C ATOM 0 H ALA A 29 4.728 -7.491 2.979 1.00 1.00 H new ATOM 0 HA ALA A 29 4.695 -9.950 2.734 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.308 -10.879 0.422 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.832 -10.170 1.118 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.754 -9.274 -0.112 1.00 1.00 H new ATOM 385 N ARG A 30 6.424 -7.878 1.009 1.00 1.00 N ATOM 386 CA ARG A 30 7.756 -7.682 0.416 1.00 1.00 C ATOM 387 C ARG A 30 8.948 -8.476 1.283 1.00 1.00 C ATOM 388 O ARG A 30 8.715 -9.070 2.338 1.00 1.00 O ATOM 389 CB ARG A 30 8.060 -6.144 0.201 1.00 1.00 C ATOM 390 CG ARG A 30 7.608 -5.651 -1.130 1.00 1.00 C ATOM 391 CD ARG A 30 6.552 -4.415 -1.139 1.00 1.00 C ATOM 392 NE ARG A 30 7.022 -3.395 -2.155 1.00 1.00 N ATOM 393 CZ ARG A 30 6.181 -2.791 -3.027 1.00 1.00 C ATOM 394 NH1 ARG A 30 4.964 -2.906 -2.886 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.646 -2.046 -3.984 1.00 1.00 N ATOM 0 H ARG A 30 5.835 -7.046 1.054 1.00 1.00 H new ATOM 0 HA ARG A 30 7.758 -8.141 -0.573 1.00 1.00 H new ATOM 0 HB2 ARG A 30 7.568 -5.567 0.984 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.131 -5.971 0.304 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.489 -5.348 -1.696 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.157 -6.486 -1.665 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.553 -4.771 -1.392 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.488 -3.963 -0.149 1.00 1.00 H new ATOM 0 HE ARG A 30 8.013 -3.153 -2.183 1.00 1.00 H new ATOM 0 HH11 ARG A 30 4.590 -3.456 -2.113 1.00 1.00 H new ATOM 0 HH12 ARG A 30 4.329 -2.451 -3.542 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.652 -1.912 -4.083 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.005 -1.595 -4.636 1.00 1.00 H new ATOM 409 N THR A 31 10.117 -8.492 0.652 1.00 1.00 N ATOM 410 CA THR A 31 11.346 -9.190 1.050 1.00 1.00 C ATOM 411 C THR A 31 12.530 -8.417 0.788 1.00 1.00 C ATOM 412 O THR A 31 12.581 -7.903 -0.129 1.00 1.00 O ATOM 413 CB THR A 31 11.403 -10.375 0.010 1.00 1.00 C ATOM 414 OG1 THR A 31 11.633 -9.947 -1.273 1.00 1.00 O ATOM 415 CG2 THR A 31 10.076 -11.119 0.063 1.00 1.00 C ATOM 0 H THR A 31 10.246 -7.979 -0.220 1.00 1.00 H new ATOM 0 HA THR A 31 11.325 -9.440 2.111 1.00 1.00 H new ATOM 0 HB THR A 31 12.237 -11.022 0.282 1.00 1.00 H new ATOM 0 HG1 THR A 31 12.032 -10.675 -1.794 1.00 1.00 H new ATOM 0 HG21 THR A 31 10.093 -11.944 -0.649 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.918 -11.510 1.068 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.266 -10.436 -0.192 1.00 1.00 H new ATOM 423 N CYS A 32 13.482 -8.282 1.638 1.00 1.00 N ATOM 424 CA CYS A 32 14.705 -7.336 1.204 1.00 1.00 C ATOM 425 C CYS A 32 15.676 -8.034 0.349 1.00 1.00 C ATOM 426 O CYS A 32 15.471 -9.137 -0.115 1.00 1.00 O ATOM 427 CB CYS A 32 15.403 -6.489 2.457 1.00 1.00 C ATOM 428 SG CYS A 32 16.688 -5.332 1.899 1.00 1.00 S ATOM 0 H CYS A 32 13.539 -8.715 2.560 1.00 1.00 H new ATOM 0 HA CYS A 32 14.259 -6.557 0.586 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.630 -5.936 2.990 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.838 -7.193 3.167 1.00 1.00 H new ATOM 433 N SER A 33 16.702 -7.389 0.190 1.00 1.00 N ATOM 434 CA SER A 33 17.841 -7.938 -0.639 1.00 1.00 C ATOM 435 C SER A 33 18.623 -8.838 0.176 1.00 1.00 C ATOM 436 O SER A 33 19.580 -9.477 -0.254 1.00 1.00 O ATOM 437 CB SER A 33 18.601 -6.917 -1.292 1.00 1.00 C ATOM 438 OG SER A 33 19.774 -7.485 -1.872 1.00 1.00 O ATOM 0 H SER A 33 16.869 -6.464 0.587 1.00 1.00 H new ATOM 0 HA SER A 33 17.436 -8.513 -1.471 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.998 -6.439 -2.064 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.876 -6.142 -0.577 1.00 1.00 H new ATOM 0 HG SER A 33 19.865 -8.416 -1.580 1.00 1.00 H new ATOM 444 N SER A 34 18.137 -8.958 1.266 1.00 1.00 N ATOM 445 CA SER A 34 18.511 -9.793 2.266 1.00 1.00 C ATOM 446 C SER A 34 17.148 -10.590 2.680 1.00 1.00 C ATOM 447 O SER A 34 17.125 -11.272 3.706 1.00 1.00 O ATOM 448 CB SER A 34 19.015 -8.987 3.396 1.00 1.00 C ATOM 449 OG SER A 34 19.485 -9.844 4.429 1.00 1.00 O ATOM 0 H SER A 34 17.336 -8.389 1.541 1.00 1.00 H new ATOM 0 HA SER A 34 19.302 -10.485 1.977 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.820 -8.334 3.058 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.222 -8.344 3.778 1.00 1.00 H new ATOM 0 HG SER A 34 18.902 -10.629 4.493 1.00 1.00 H new ATOM 455 N SER A 35 15.966 -10.479 1.754 1.00 1.00 N ATOM 456 CA SER A 35 14.778 -11.110 1.951 1.00 1.00 C ATOM 457 C SER A 35 14.105 -10.564 3.067 1.00 1.00 C ATOM 458 O SER A 35 12.947 -10.868 3.337 1.00 1.00 O ATOM 459 CB SER A 35 14.964 -12.533 2.134 1.00 1.00 C ATOM 460 OG SER A 35 15.737 -13.053 1.060 1.00 1.00 O ATOM 0 H SER A 35 15.984 -9.913 0.906 1.00 1.00 H new ATOM 0 HA SER A 35 14.170 -10.956 1.059 1.00 1.00 H new ATOM 0 HB2 SER A 35 15.465 -12.726 3.083 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.997 -13.034 2.176 1.00 1.00 H new ATOM 0 HG SER A 35 15.864 -14.017 1.185 1.00 1.00 H new ATOM 466 N GLY A 36 14.826 -9.735 3.771 1.00 1.00 N ATOM 467 CA GLY A 36 14.309 -9.126 4.908 1.00 1.00 C ATOM 468 C GLY A 36 13.016 -8.564 4.567 1.00 1.00 C ATOM 469 O GLY A 36 11.978 -9.125 4.909 1.00 1.00 O ATOM 0 H GLY A 36 15.788 -9.479 3.550 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.208 -9.851 5.716 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.982 -8.345 5.262 1.00 1.00 H new ATOM 473 N PHE A 37 13.040 -7.482 3.874 1.00 1.00 N ATOM 474 CA PHE A 37 11.918 -6.875 3.494 1.00 1.00 C ATOM 475 C PHE A 37 12.284 -5.616 2.751 1.00 1.00 C ATOM 476 O PHE A 37 12.196 -4.555 3.319 1.00 1.00 O ATOM 477 CB PHE A 37 11.012 -6.533 4.768 1.00 1.00 C ATOM 478 CG PHE A 37 11.880 -6.070 5.991 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.283 -4.711 6.131 1.00 1.00 C ATOM 480 CD2 PHE A 37 12.263 -7.003 6.977 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.050 -4.322 7.232 1.00 1.00 C ATOM 482 CE2 PHE A 37 13.034 -6.593 8.073 1.00 1.00 C ATOM 483 CZ PHE A 37 13.427 -5.261 8.197 1.00 1.00 C ATOM 0 H PHE A 37 13.896 -7.018 3.570 1.00 1.00 H new ATOM 0 HA PHE A 37 11.342 -7.532 2.842 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.301 -5.749 4.509 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.430 -7.411 5.047 1.00 1.00 H new ATOM 0 HD1 PHE A 37 11.996 -3.982 5.387 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.961 -8.036 6.887 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.353 -3.291 7.338 1.00 1.00 H new ATOM 0 HE2 PHE A 37 13.325 -7.312 8.825 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.025 -4.953 9.042 1.00 1.00 H new ATOM 493 N CYS A 38 12.757 -5.692 1.326 1.00 1.00 N ATOM 494 CA CYS A 38 13.121 -4.490 0.513 1.00 1.00 C ATOM 495 C CYS A 38 13.193 -4.852 -0.914 1.00 1.00 C ATOM 496 O CYS A 38 13.759 -4.154 -1.754 1.00 1.00 O ATOM 497 CB CYS A 38 14.423 -3.788 0.991 1.00 1.00 C ATOM 498 SG CYS A 38 15.864 -4.558 0.302 1.00 1.00 S ATOM 0 H CYS A 38 12.860 -6.572 0.821 1.00 1.00 H new ATOM 0 HA CYS A 38 12.329 -3.755 0.657 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.398 -2.737 0.704 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.477 -3.820 2.079 1.00 1.00 H new ATOM 503 N GLN A 39 12.647 -5.965 -1.146 1.00 1.00 N ATOM 504 CA GLN A 39 12.583 -6.615 -2.405 1.00 1.00 C ATOM 505 C GLN A 39 11.429 -7.600 -2.377 1.00 1.00 C ATOM 506 O GLN A 39 11.071 -8.029 -1.402 1.00 1.00 O ATOM 507 CB GLN A 39 14.000 -7.304 -2.617 1.00 1.00 C ATOM 508 CG GLN A 39 14.010 -8.797 -2.374 1.00 1.00 C ATOM 509 CD GLN A 39 13.214 -9.525 -3.459 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.955 -10.723 -3.343 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.806 -8.864 -4.510 1.00 1.00 N ATOM 0 H GLN A 39 12.191 -6.502 -0.409 1.00 1.00 H new ATOM 0 HA GLN A 39 12.393 -5.941 -3.240 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.335 -7.112 -3.636 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.723 -6.834 -1.950 1.00 1.00 H new ATOM 0 HG2 GLN A 39 15.037 -9.162 -2.362 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.583 -9.014 -1.395 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.022 -7.872 -4.604 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.272 -9.341 -5.236 1.00 1.00 H new ATOM 520 N GLY A 40 10.809 -7.861 -3.494 1.00 1.00 N ATOM 521 CA GLY A 40 9.644 -8.806 -3.504 1.00 1.00 C ATOM 522 C GLY A 40 8.301 -8.197 -3.915 1.00 1.00 C ATOM 523 O GLY A 40 8.133 -7.742 -5.045 1.00 1.00 O ATOM 0 H GLY A 40 11.054 -7.465 -4.401 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.872 -9.628 -4.182 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.538 -9.235 -2.507 1.00 1.00 H new ATOM 527 N THR A 41 7.293 -8.259 -2.968 1.00 1.00 N ATOM 528 CA THR A 41 5.897 -7.761 -3.281 1.00 1.00 C ATOM 529 C THR A 41 5.049 -7.198 -1.965 1.00 1.00 C ATOM 530 O THR A 41 5.144 -7.753 -0.912 1.00 1.00 O ATOM 531 CB THR A 41 5.149 -8.992 -3.907 1.00 1.00 C ATOM 532 OG1 THR A 41 4.543 -8.599 -5.126 1.00 1.00 O ATOM 533 CG2 THR A 41 4.094 -9.533 -2.977 1.00 1.00 C ATOM 0 H THR A 41 7.412 -8.631 -2.026 1.00 1.00 H new ATOM 0 HA THR A 41 5.969 -6.901 -3.947 1.00 1.00 H new ATOM 0 HB THR A 41 5.881 -9.781 -4.082 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.076 -9.365 -5.521 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.598 -10.384 -3.445 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.560 -9.852 -2.045 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.360 -8.755 -2.768 1.00 1.00 H new ATOM 541 N SER A 42 4.201 -6.168 -2.155 1.00 1.00 N ATOM 542 CA SER A 42 3.319 -5.661 -1.005 1.00 1.00 C ATOM 543 C SER A 42 2.015 -6.156 -1.234 1.00 1.00 C ATOM 544 O SER A 42 1.157 -5.406 -1.723 1.00 1.00 O ATOM 545 CB SER A 42 3.174 -4.053 -0.891 1.00 1.00 C ATOM 546 OG SER A 42 2.900 -3.516 -2.171 1.00 1.00 O ATOM 0 H SER A 42 4.086 -5.669 -3.037 1.00 1.00 H new ATOM 0 HA SER A 42 3.797 -6.003 -0.087 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.373 -3.797 -0.198 1.00 1.00 H new ATOM 0 HB3 SER A 42 4.092 -3.621 -0.492 1.00 1.00 H new ATOM 0 HG SER A 42 2.124 -3.973 -2.558 1.00 1.00 H new ATOM 552 N ARG A 43 1.757 -7.411 -0.902 1.00 1.00 N ATOM 553 CA ARG A 43 0.432 -7.992 -1.099 1.00 1.00 C ATOM 554 C ARG A 43 -0.335 -7.378 -2.188 1.00 1.00 C ATOM 555 O ARG A 43 -1.324 -6.744 -1.948 1.00 1.00 O ATOM 556 CB ARG A 43 -0.361 -7.975 0.209 1.00 1.00 C ATOM 557 CG ARG A 43 -0.391 -6.463 0.913 1.00 1.00 C ATOM 558 CD ARG A 43 -1.774 -5.739 0.552 1.00 1.00 C ATOM 559 NE ARG A 43 -2.151 -4.857 1.652 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.353 -3.848 2.034 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.230 -3.623 1.406 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.707 -3.074 3.025 1.00 1.00 N ATOM 0 H ARG A 43 2.443 -8.048 -0.496 1.00 1.00 H new ATOM 0 HA ARG A 43 0.599 -9.024 -1.408 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.382 -8.304 0.016 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.077 -8.689 0.906 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.284 -6.550 1.994 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.449 -5.867 0.557 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.670 -5.167 -0.370 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.554 -6.481 0.381 1.00 1.00 H new ATOM 0 HE ARG A 43 -3.035 -5.010 2.138 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.043 -4.215 0.622 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.374 -2.855 1.700 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.590 -3.237 3.509 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.100 -2.307 3.315 1.00 1.00 H new ATOM 576 N LYS A 44 0.092 -7.661 -3.478 1.00 1.00 N ATOM 577 CA LYS A 44 -0.670 -7.166 -4.624 1.00 1.00 C ATOM 578 C LYS A 44 -1.996 -7.405 -4.353 1.00 1.00 C ATOM 579 O LYS A 44 -2.370 -8.473 -4.442 1.00 1.00 O ATOM 580 CB LYS A 44 -0.279 -7.880 -5.945 1.00 1.00 C ATOM 581 CG LYS A 44 -1.284 -7.420 -7.048 1.00 1.00 C ATOM 582 CD LYS A 44 -0.746 -7.766 -8.463 1.00 1.00 C ATOM 583 CE LYS A 44 -1.886 -7.591 -9.545 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.818 -8.720 -10.526 1.00 1.00 N ATOM 0 H LYS A 44 0.923 -8.205 -3.711 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.461 -6.106 -4.765 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.743 -7.627 -6.229 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.317 -8.962 -5.821 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.248 -7.904 -6.892 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.450 -6.346 -6.970 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.097 -7.120 -8.706 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.376 -8.791 -8.478 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.862 -7.574 -9.061 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.769 -6.638 -10.062 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -2.567 -8.606 -11.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.890 -8.716 -10.996 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.949 -9.623 -10.026 1.00 1.00 H new ATOM 598 N PRO A 45 -2.832 -6.354 -3.947 1.00 1.00 N ATOM 599 CA PRO A 45 -4.249 -6.578 -3.651 1.00 1.00 C ATOM 600 C PRO A 45 -4.776 -7.285 -4.765 1.00 1.00 C ATOM 601 O PRO A 45 -5.506 -6.763 -5.614 1.00 1.00 O ATOM 602 CB PRO A 45 -4.798 -5.211 -3.480 1.00 1.00 C ATOM 603 CG PRO A 45 -3.643 -4.477 -2.953 1.00 1.00 C ATOM 604 CD PRO A 45 -2.491 -4.964 -3.750 1.00 1.00 C ATOM 0 HA PRO A 45 -4.480 -7.166 -2.763 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -5.150 -4.793 -4.423 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.641 -5.194 -2.789 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.774 -3.401 -3.064 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.500 -4.673 -1.890 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.393 -4.430 -4.695 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.547 -4.846 -3.218 1.00 1.00 H new ATOM 612 N ASP A 46 -4.285 -8.465 -4.846 1.00 1.00 N ATOM 613 CA ASP A 46 -4.549 -9.296 -5.939 1.00 1.00 C ATOM 614 C ASP A 46 -6.006 -9.813 -5.897 1.00 1.00 C ATOM 615 O ASP A 46 -6.700 -9.613 -4.902 1.00 1.00 O ATOM 616 CB ASP A 46 -3.453 -10.551 -6.053 1.00 1.00 C ATOM 617 CG ASP A 46 -4.122 -11.930 -5.838 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.989 -12.024 -5.010 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.727 -12.863 -6.512 1.00 1.00 O ATOM 0 H ASP A 46 -3.679 -8.880 -4.138 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.431 -8.697 -6.842 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.977 -10.528 -7.033 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.665 -10.412 -5.313 1.00 1.00 H new ATOM 624 N PRO A 47 -6.486 -10.496 -6.956 1.00 1.00 N ATOM 625 CA PRO A 47 -7.862 -11.037 -6.966 1.00 1.00 C ATOM 626 C PRO A 47 -7.959 -12.283 -6.052 1.00 1.00 C ATOM 627 O PRO A 47 -8.420 -13.348 -6.464 1.00 1.00 O ATOM 628 CB PRO A 47 -8.139 -11.377 -8.484 1.00 1.00 C ATOM 629 CG PRO A 47 -6.916 -10.876 -9.241 1.00 1.00 C ATOM 630 CD PRO A 47 -5.782 -10.804 -8.216 1.00 1.00 C ATOM 0 HA PRO A 47 -8.602 -10.338 -6.577 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.278 -12.449 -8.627 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.047 -10.888 -8.837 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.660 -11.550 -10.058 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.105 -9.897 -9.683 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.236 -11.745 -8.153 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.057 -10.031 -8.471 1.00 1.00 H new ATOM 638 N GLY A 48 -7.521 -12.101 -4.789 1.00 1.00 N ATOM 639 CA GLY A 48 -7.556 -13.162 -3.778 1.00 1.00 C ATOM 640 C GLY A 48 -8.124 -12.572 -2.534 1.00 1.00 C ATOM 641 O GLY A 48 -9.279 -12.823 -2.191 1.00 1.00 O ATOM 0 H GLY A 48 -7.137 -11.219 -4.449 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.166 -13.998 -4.120 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.555 -13.552 -3.596 1.00 1.00 H new ATOM 645 N PRO A 49 -7.371 -11.714 -1.876 1.00 1.00 N ATOM 646 CA PRO A 49 -7.857 -11.028 -0.730 1.00 1.00 C ATOM 647 C PRO A 49 -9.004 -10.094 -1.130 1.00 1.00 C ATOM 648 O PRO A 49 -10.167 -10.448 -0.958 1.00 1.00 O ATOM 649 CB PRO A 49 -6.623 -10.232 -0.158 1.00 1.00 C ATOM 650 CG PRO A 49 -5.577 -10.242 -1.228 1.00 1.00 C ATOM 651 CD PRO A 49 -5.969 -11.352 -2.208 1.00 1.00 C ATOM 0 HA PRO A 49 -8.260 -11.704 0.024 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.905 -9.211 0.099 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.250 -10.698 0.754 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.529 -9.277 -1.733 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.590 -10.429 -0.804 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.888 -11.009 -3.239 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.309 -12.213 -2.106 1.00 1.00 H new ATOM 659 N LYS A 50 -8.647 -8.874 -1.579 1.00 1.00 N ATOM 660 CA LYS A 50 -9.611 -7.772 -1.952 1.00 1.00 C ATOM 661 C LYS A 50 -10.186 -7.129 -0.690 1.00 1.00 C ATOM 662 O LYS A 50 -11.342 -6.710 -0.675 1.00 1.00 O ATOM 663 CB LYS A 50 -10.816 -8.361 -2.861 1.00 1.00 C ATOM 664 CG LYS A 50 -10.550 -8.066 -4.450 1.00 1.00 C ATOM 665 CD LYS A 50 -11.141 -6.619 -4.875 1.00 1.00 C ATOM 666 CE LYS A 50 -10.598 -5.483 -3.928 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.122 -5.353 -4.100 1.00 1.00 N ATOM 0 H LYS A 50 -7.671 -8.604 -1.701 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.071 -7.018 -2.525 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.909 -9.435 -2.697 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.760 -7.909 -2.557 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.480 -8.102 -4.657 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.017 -8.845 -5.052 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -10.866 -6.399 -5.906 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.230 -6.641 -4.834 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.086 -4.537 -4.161 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.834 -5.717 -2.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.694 -5.046 -3.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.723 -6.272 -4.378 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -8.919 -4.650 -4.839 1.00 1.00 H new ATOM 681 N GLY A 51 -9.400 -7.109 0.425 1.00 1.00 N ATOM 682 CA GLY A 51 -9.832 -6.649 1.564 1.00 1.00 C ATOM 683 C GLY A 51 -8.984 -7.211 2.568 1.00 1.00 C ATOM 684 O GLY A 51 -8.318 -6.557 3.125 1.00 1.00 O ATOM 0 H GLY A 51 -8.437 -7.446 0.447 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.791 -5.560 1.585 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.872 -6.932 1.729 1.00 1.00 H new ATOM 688 N PRO A 52 -8.997 -8.524 2.771 1.00 1.00 N ATOM 689 CA PRO A 52 -8.084 -9.215 3.782 1.00 1.00 C ATOM 690 C PRO A 52 -6.610 -8.662 3.742 1.00 1.00 C ATOM 691 O PRO A 52 -5.701 -9.335 4.004 1.00 1.00 O ATOM 692 CB PRO A 52 -8.126 -10.666 3.353 1.00 1.00 C ATOM 693 CG PRO A 52 -9.482 -10.841 2.714 1.00 1.00 C ATOM 694 CD PRO A 52 -9.866 -9.462 2.105 1.00 1.00 C ATOM 0 HA PRO A 52 -8.412 -9.051 4.808 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.325 -10.894 2.650 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -8.001 -11.334 4.205 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.451 -11.610 1.942 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.220 -11.158 3.451 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.714 -9.448 1.026 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.915 -9.227 2.282 1.00 1.00 H new ATOM 702 N THR A 53 -6.508 -7.443 3.464 1.00 1.00 N ATOM 703 CA THR A 53 -5.293 -6.700 3.427 1.00 1.00 C ATOM 704 C THR A 53 -5.787 -5.271 3.644 1.00 1.00 C ATOM 705 O THR A 53 -6.941 -5.054 3.511 1.00 1.00 O ATOM 706 CB THR A 53 -4.507 -6.860 2.151 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.369 -5.685 1.599 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.202 -7.783 1.185 1.00 1.00 C ATOM 0 H THR A 53 -7.322 -6.872 3.235 1.00 1.00 H new ATOM 0 HA THR A 53 -4.574 -7.038 4.173 1.00 1.00 H new ATOM 0 HB THR A 53 -3.537 -7.295 2.392 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.499 -5.761 0.631 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.606 -7.874 0.277 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.320 -8.766 1.642 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.183 -7.378 0.936 1.00 1.00 H new ATOM 716 N TYR A 54 -5.035 -4.377 3.990 1.00 1.00 N ATOM 717 CA TYR A 54 -5.659 -2.978 4.301 1.00 1.00 C ATOM 718 C TYR A 54 -4.700 -2.050 5.085 1.00 1.00 C ATOM 719 O TYR A 54 -4.126 -2.472 6.082 1.00 1.00 O ATOM 720 CB TYR A 54 -6.935 -3.235 5.237 1.00 1.00 C ATOM 721 CG TYR A 54 -7.042 -2.213 6.456 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.266 -2.416 7.611 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.915 -1.104 6.395 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.356 -1.522 8.684 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.996 -0.216 7.477 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.217 -0.427 8.617 1.00 1.00 C ATOM 727 OH TYR A 54 -7.295 0.450 9.676 1.00 1.00 O ATOM 0 H TYR A 54 -4.024 -4.454 4.098 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.896 -2.494 3.354 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.840 -3.165 4.633 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.891 -4.252 5.628 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.599 -3.264 7.670 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.520 -0.940 5.515 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.756 -1.681 9.568 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.662 0.633 7.429 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.940 1.158 9.468 1.00 1.00 H new ATOM 737 N CYS A 55 -4.516 -0.687 4.604 1.00 1.00 N ATOM 738 CA CYS A 55 -3.576 0.246 5.385 1.00 1.00 C ATOM 739 C CYS A 55 -4.061 1.692 5.752 1.00 1.00 C ATOM 740 O CYS A 55 -3.684 2.260 6.778 1.00 1.00 O ATOM 741 CB CYS A 55 -2.269 0.359 4.623 1.00 1.00 C ATOM 742 SG CYS A 55 -0.876 0.356 5.852 1.00 1.00 S ATOM 0 H CYS A 55 -4.961 -0.283 3.780 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.502 -0.242 6.357 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -2.163 -0.472 3.926 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -2.252 1.275 4.032 1.00 1.00 H new ATOM 747 N TRP A 56 -4.817 2.251 4.849 1.00 1.00 N ATOM 748 CA TRP A 56 -5.307 3.565 4.913 1.00 1.00 C ATOM 749 C TRP A 56 -6.871 3.660 5.018 1.00 1.00 C ATOM 750 O TRP A 56 -7.475 3.012 5.867 1.00 1.00 O ATOM 751 CB TRP A 56 -4.917 4.175 3.573 1.00 1.00 C ATOM 752 CG TRP A 56 -5.062 5.665 3.606 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.449 6.335 2.590 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.816 6.673 4.717 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.451 7.625 2.878 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.084 7.889 4.206 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.380 6.618 6.106 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.961 9.080 4.964 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.259 7.803 6.856 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.555 9.024 6.278 1.00 1.00 C ATOM 0 H TRP A 56 -5.115 1.758 4.007 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.904 4.055 5.799 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.887 3.910 3.334 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.544 3.761 2.783 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.732 5.911 1.638 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.694 8.352 2.205 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.149 5.666 6.561 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.186 10.034 4.510 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.934 7.759 7.885 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.468 9.932 6.856 1.00 1.00 H new ATOM 771 N ASP A 57 -7.553 4.484 3.981 1.00 1.00 N ATOM 772 CA ASP A 57 -8.959 4.602 3.880 1.00 1.00 C ATOM 773 C ASP A 57 -9.369 5.917 3.096 1.00 1.00 C ATOM 774 O ASP A 57 -10.518 6.335 3.198 1.00 1.00 O ATOM 775 CB ASP A 57 -9.571 4.633 5.248 1.00 1.00 C ATOM 776 CG ASP A 57 -10.236 3.282 5.604 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.633 2.256 5.330 1.00 1.00 O ATOM 778 OD2 ASP A 57 -11.333 3.305 6.136 1.00 1.00 O ATOM 0 H ASP A 57 -7.047 5.018 3.274 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.328 3.737 3.328 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.803 4.867 5.986 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.314 5.429 5.297 1.00 1.00 H new ATOM 783 N GLU A 58 -8.414 6.578 2.377 1.00 1.00 N ATOM 784 CA GLU A 58 -8.730 7.785 1.752 1.00 1.00 C ATOM 785 C GLU A 58 -7.565 8.367 1.170 1.00 1.00 C ATOM 786 O GLU A 58 -7.006 9.229 1.794 1.00 1.00 O ATOM 787 CB GLU A 58 -9.206 8.767 2.904 1.00 1.00 C ATOM 788 CG GLU A 58 -8.181 8.688 4.059 1.00 1.00 C ATOM 789 CD GLU A 58 -8.732 9.379 5.304 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.076 10.547 5.206 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.802 8.732 6.334 1.00 1.00 O ATOM 0 H GLU A 58 -7.454 6.259 2.249 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.481 7.621 0.979 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.278 9.788 2.528 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.199 8.487 3.257 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.955 7.646 4.283 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.246 9.159 3.757 1.00 1.00 H new ATOM 798 N ALA A 59 -7.086 8.043 -0.050 1.00 1.00 N ATOM 799 CA ALA A 59 -5.889 8.830 -0.521 1.00 1.00 C ATOM 800 C ALA A 59 -5.925 9.137 -2.118 1.00 1.00 C ATOM 801 O ALA A 59 -4.923 9.475 -2.668 1.00 1.00 O ATOM 802 CB ALA A 59 -4.789 8.029 -0.303 1.00 1.00 C ATOM 0 H ALA A 59 -7.448 7.327 -0.679 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.871 9.781 0.011 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.889 8.551 -0.627 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.712 7.798 0.760 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.895 7.103 -0.868 1.00 1.00 H new ATOM 808 N LYS A 60 -7.088 8.751 -2.858 1.00 1.00 N ATOM 809 CA LYS A 60 -7.076 8.751 -4.241 1.00 1.00 C ATOM 810 C LYS A 60 -6.911 10.022 -4.800 1.00 1.00 C ATOM 811 O LYS A 60 -6.211 10.241 -5.721 1.00 1.00 O ATOM 812 CB LYS A 60 -8.474 8.133 -4.788 1.00 1.00 C ATOM 813 CG LYS A 60 -9.122 7.311 -3.655 1.00 1.00 C ATOM 814 CD LYS A 60 -10.266 6.342 -4.202 1.00 1.00 C ATOM 815 CE LYS A 60 -11.655 7.067 -4.142 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.272 6.834 -2.802 1.00 1.00 N ATOM 0 H LYS A 60 -7.970 8.461 -2.436 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.219 8.149 -4.541 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.143 8.933 -5.106 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.294 7.502 -5.659 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.357 6.721 -3.151 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.544 7.987 -2.911 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.044 6.047 -5.228 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.297 5.429 -3.607 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.529 8.135 -4.317 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.310 6.690 -4.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.194 7.313 -2.756 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.404 5.813 -2.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.648 7.214 -2.062 1.00 1.00 H new ATOM 830 N ASN A 61 -7.810 10.866 -4.304 1.00 1.00 N ATOM 831 CA ASN A 61 -7.979 12.170 -4.880 1.00 1.00 C ATOM 832 C ASN A 61 -6.708 12.778 -5.194 1.00 1.00 C ATOM 833 O ASN A 61 -5.688 12.447 -4.600 1.00 1.00 O ATOM 834 CB ASN A 61 -8.899 13.139 -4.048 1.00 1.00 C ATOM 835 CG ASN A 61 -10.153 13.555 -4.851 1.00 1.00 C ATOM 836 OD1 ASN A 61 -10.257 14.697 -5.294 1.00 1.00 O ATOM 837 ND2 ASN A 61 -11.106 12.680 -5.059 1.00 1.00 N ATOM 0 H ASN A 61 -8.421 10.662 -3.513 1.00 1.00 H new ATOM 0 HA ASN A 61 -8.520 12.002 -5.811 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -9.203 12.649 -3.123 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -8.334 14.028 -3.767 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -11.936 12.946 -5.589 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -11.018 11.733 -4.691 1.00 1.00 H new ATOM 844 N PRO A 62 -6.695 13.633 -6.174 1.00 1.00 N ATOM 845 CA PRO A 62 -5.511 14.244 -6.629 1.00 1.00 C ATOM 846 C PRO A 62 -5.128 15.481 -5.899 1.00 1.00 C ATOM 847 O PRO A 62 -4.156 16.128 -6.303 1.00 1.00 O ATOM 848 CB PRO A 62 -5.850 14.567 -8.146 1.00 1.00 C ATOM 849 CG PRO A 62 -7.244 14.087 -8.328 1.00 1.00 C ATOM 850 CD PRO A 62 -7.821 14.122 -6.975 1.00 1.00 C ATOM 0 HA PRO A 62 -4.650 13.594 -6.476 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -5.768 15.634 -8.352 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -5.164 14.058 -8.823 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -7.799 14.728 -9.014 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -7.267 13.080 -8.744 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -8.128 15.127 -6.684 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -8.699 13.482 -6.885 1.00 1.00 H new ATOM 858 N GLY A 63 -5.840 15.902 -4.834 1.00 1.00 N ATOM 859 CA GLY A 63 -5.462 17.109 -4.175 1.00 1.00 C ATOM 860 C GLY A 63 -6.294 17.242 -2.908 1.00 1.00 C ATOM 861 O GLY A 63 -6.982 18.237 -2.701 1.00 1.00 O ATOM 0 H GLY A 63 -6.651 15.422 -4.442 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -4.400 17.092 -3.932 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -5.626 17.966 -4.829 1.00 1.00 H new ATOM 865 N GLY A 64 -6.220 16.203 -2.052 1.00 1.00 N ATOM 866 CA GLY A 64 -6.976 16.219 -0.809 1.00 1.00 C ATOM 867 C GLY A 64 -6.656 15.056 0.138 1.00 1.00 C ATOM 868 O GLY A 64 -5.945 15.259 1.123 1.00 1.00 O ATOM 0 H GLY A 64 -5.656 15.367 -2.203 1.00 1.00 H new ATOM 0 HA2 GLY A 64 -6.782 17.158 -0.291 1.00 1.00 H new ATOM 0 HA3 GLY A 64 -8.040 16.199 -1.044 1.00 1.00 H new ATOM 872 N PRO A 65 -7.162 13.840 -0.094 1.00 1.00 N ATOM 873 CA PRO A 65 -6.901 12.759 0.785 1.00 1.00 C ATOM 874 C PRO A 65 -5.454 12.514 0.875 1.00 1.00 C ATOM 875 O PRO A 65 -4.680 13.308 0.443 1.00 1.00 O ATOM 876 CB PRO A 65 -7.715 11.552 0.179 1.00 1.00 C ATOM 877 CG PRO A 65 -8.720 12.225 -0.568 1.00 1.00 C ATOM 878 CD PRO A 65 -7.966 13.415 -1.165 1.00 1.00 C ATOM 0 HA PRO A 65 -7.211 12.944 1.814 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.094 10.916 -0.452 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.140 10.915 0.955 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.143 11.586 -1.343 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.546 12.547 0.066 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.369 13.124 -2.029 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.646 14.200 -1.497 1.00 1.00 H new ATOM 886 N ASN A 66 -5.098 11.511 1.510 1.00 1.00 N ATOM 887 CA ASN A 66 -3.617 11.250 1.733 1.00 1.00 C ATOM 888 C ASN A 66 -2.852 11.481 0.459 1.00 1.00 C ATOM 889 O ASN A 66 -1.677 11.801 0.487 1.00 1.00 O ATOM 890 CB ASN A 66 -3.351 9.831 2.248 1.00 1.00 C ATOM 891 CG ASN A 66 -2.372 9.836 3.440 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.401 8.931 4.273 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.494 10.796 3.551 1.00 1.00 N ATOM 0 H ASN A 66 -5.730 10.818 1.912 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.277 11.948 2.498 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.291 9.370 2.550 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.942 9.221 1.442 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -0.833 10.795 4.328 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.469 11.547 2.861 1.00 1.00 H new ATOM 900 N ARG A 67 -3.596 11.321 -0.652 1.00 1.00 N ATOM 901 CA ARG A 67 -3.103 11.526 -2.036 1.00 1.00 C ATOM 902 C ARG A 67 -2.322 10.403 -2.575 1.00 1.00 C ATOM 903 O ARG A 67 -1.224 10.151 -2.156 1.00 1.00 O ATOM 904 CB ARG A 67 -2.234 12.813 -2.122 1.00 1.00 C ATOM 905 CG ARG A 67 -3.133 14.029 -2.104 1.00 1.00 C ATOM 906 CD ARG A 67 -3.528 14.402 -3.524 1.00 1.00 C ATOM 907 NE ARG A 67 -2.474 15.291 -4.165 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.066 16.491 -3.608 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.615 16.944 -2.503 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.144 17.207 -4.205 1.00 1.00 N ATOM 0 H ARG A 67 -4.576 11.040 -0.617 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.004 11.615 -2.644 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.536 12.851 -1.285 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -1.637 12.802 -3.034 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.025 13.824 -1.511 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -2.619 14.865 -1.629 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -3.658 13.498 -4.119 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.488 14.918 -3.515 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.050 14.991 -5.042 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.352 16.410 -2.044 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.304 17.830 -2.105 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -0.729 16.879 -5.077 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -0.841 18.092 -3.797 1.00 1.00 H new ATOM 924 N CYS A 68 -2.839 9.847 -3.599 1.00 1.00 N ATOM 925 CA CYS A 68 -2.190 8.850 -4.349 1.00 1.00 C ATOM 926 C CYS A 68 -2.803 8.932 -5.583 1.00 1.00 C ATOM 927 O CYS A 68 -2.320 9.659 -6.463 1.00 1.00 O ATOM 928 CB CYS A 68 -2.232 7.396 -3.654 1.00 1.00 C ATOM 929 SG CYS A 68 -3.791 7.027 -2.886 1.00 1.00 S ATOM 0 H CYS A 68 -3.766 10.085 -3.952 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.114 9.004 -4.430 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.016 6.636 -4.405 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -1.443 7.337 -2.904 1.00 1.00 H new ATOM 934 N SER A 69 -3.823 8.247 -5.738 1.00 1.00 N ATOM 935 CA SER A 69 -4.557 8.254 -6.956 1.00 1.00 C ATOM 936 C SER A 69 -4.013 7.273 -7.927 1.00 1.00 C ATOM 937 O SER A 69 -4.759 6.696 -8.719 1.00 1.00 O ATOM 938 CB SER A 69 -4.567 9.685 -7.657 1.00 1.00 C ATOM 939 OG SER A 69 -3.552 9.724 -8.671 1.00 1.00 O ATOM 0 H SER A 69 -4.210 7.636 -5.019 1.00 1.00 H new ATOM 0 HA SER A 69 -5.576 7.984 -6.679 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.545 9.880 -8.097 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.389 10.466 -6.918 1.00 1.00 H new ATOM 0 HG SER A 69 -2.668 9.674 -8.251 1.00 1.00 H new ATOM 945 N ASN A 70 -2.689 7.153 -7.967 1.00 1.00 N ATOM 946 CA ASN A 70 -2.040 6.303 -8.985 1.00 1.00 C ATOM 947 C ASN A 70 -1.506 5.107 -8.457 1.00 1.00 C ATOM 948 O ASN A 70 -1.607 4.068 -9.089 1.00 1.00 O ATOM 949 CB ASN A 70 -0.907 7.086 -9.654 1.00 1.00 C ATOM 950 CG ASN A 70 -1.426 8.416 -10.190 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.073 9.477 -9.670 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.240 8.424 -11.202 1.00 1.00 N ATOM 0 H ASN A 70 -2.048 7.619 -7.325 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.815 6.029 -9.701 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.106 7.263 -8.937 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.482 6.499 -10.468 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.589 9.309 -11.569 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.530 7.545 -11.630 1.00 1.00 H new ATOM 959 N SER A 71 -0.945 5.183 -7.281 1.00 1.00 N ATOM 960 CA SER A 71 -0.366 3.960 -6.630 1.00 1.00 C ATOM 961 C SER A 71 0.675 4.264 -5.404 1.00 1.00 C ATOM 962 O SER A 71 1.758 3.689 -5.374 1.00 1.00 O ATOM 963 CB SER A 71 0.354 3.125 -7.723 1.00 1.00 C ATOM 964 OG SER A 71 1.448 2.414 -7.176 1.00 1.00 O ATOM 0 H SER A 71 -0.860 6.041 -6.736 1.00 1.00 H new ATOM 0 HA SER A 71 -1.198 3.421 -6.177 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.350 2.426 -8.175 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.704 3.784 -8.518 1.00 1.00 H new ATOM 0 HG SER A 71 1.273 2.221 -6.231 1.00 1.00 H new ATOM 970 N LYS A 72 0.407 5.305 -4.502 1.00 1.00 N ATOM 971 CA LYS A 72 1.494 5.698 -3.507 1.00 1.00 C ATOM 972 C LYS A 72 1.110 6.204 -2.220 1.00 1.00 C ATOM 973 O LYS A 72 1.780 7.034 -1.682 1.00 1.00 O ATOM 974 CB LYS A 72 2.203 7.008 -4.228 1.00 1.00 C ATOM 975 CG LYS A 72 1.215 8.211 -4.338 1.00 1.00 C ATOM 976 CD LYS A 72 1.945 9.550 -3.929 1.00 1.00 C ATOM 977 CE LYS A 72 1.112 10.789 -4.359 1.00 1.00 C ATOM 978 NZ LYS A 72 1.981 11.994 -4.334 1.00 1.00 N ATOM 0 H LYS A 72 -0.463 5.835 -4.447 1.00 1.00 H new ATOM 0 HA LYS A 72 2.061 4.788 -3.311 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.080 7.309 -3.655 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.552 6.731 -5.223 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.838 8.290 -5.358 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.354 8.045 -3.691 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.102 9.569 -2.850 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.930 9.589 -4.395 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.706 10.640 -5.359 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.264 10.923 -3.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 1.428 12.827 -4.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 2.348 12.137 -3.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.776 11.863 -4.992 1.00 1.00 H new ATOM 992 N GLN A 73 0.100 5.842 -1.814 1.00 1.00 N ATOM 993 CA GLN A 73 -0.511 6.372 -0.563 1.00 1.00 C ATOM 994 C GLN A 73 -1.957 5.921 -0.511 1.00 1.00 C ATOM 995 O GLN A 73 -2.751 6.648 -0.137 1.00 1.00 O ATOM 996 CB GLN A 73 -0.588 8.039 -0.662 1.00 1.00 C ATOM 997 CG GLN A 73 -0.213 8.746 0.665 1.00 1.00 C ATOM 998 CD GLN A 73 -0.738 7.999 1.891 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.577 7.137 1.774 1.00 1.00 O ATOM 1000 NE2 GLN A 73 -0.287 8.306 3.063 1.00 1.00 N ATOM 0 H GLN A 73 -0.464 5.128 -2.275 1.00 1.00 H new ATOM 0 HA GLN A 73 0.073 6.032 0.292 1.00 1.00 H new ATOM 0 HB2 GLN A 73 0.082 8.381 -1.451 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.597 8.333 -0.951 1.00 1.00 H new ATOM 0 HG2 GLN A 73 0.871 8.834 0.733 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -0.615 9.759 0.660 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.421 9.033 3.163 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.639 7.821 3.888 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.263 4.739 -0.830 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.778 4.300 -0.729 1.00 1.00 C ATOM 1011 C CYS A 74 -3.858 3.325 0.371 1.00 1.00 C ATOM 1012 O CYS A 74 -3.095 3.516 1.313 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.231 3.811 -2.107 1.00 1.00 C ATOM 1014 SG CYS A 74 -4.202 5.178 -3.532 1.00 1.00 S ATOM 0 H CYS A 74 -1.612 4.024 -1.154 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.472 5.103 -0.482 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.593 2.981 -2.409 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.245 3.419 -2.021 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.853 2.250 0.419 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.895 1.402 1.752 1.00 1.00 C ATOM 1021 C ASP A 75 -4.133 0.109 1.704 1.00 1.00 C ATOM 1022 O ASP A 75 -2.911 0.123 1.833 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.426 1.348 2.205 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.606 0.596 3.409 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.383 -0.477 3.364 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -7.008 1.164 4.394 1.00 1.00 O ATOM 0 H ASP A 75 -5.515 1.996 -0.314 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.325 1.883 2.547 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.795 2.363 2.353 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -7.024 0.905 1.409 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.790 -0.993 1.558 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.062 -2.287 1.544 1.00 1.00 C ATOM 1033 C GLY A 76 -4.667 -3.368 0.667 1.00 1.00 C ATOM 1034 O GLY A 76 -3.957 -4.220 0.228 1.00 1.00 O ATOM 0 H GLY A 76 -5.802 -1.060 1.447 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.040 -2.105 1.213 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.004 -2.662 2.566 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.940 -3.296 0.356 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.562 -4.301 -0.518 1.00 1.00 C ATOM 1040 C ALA A 77 -7.213 -3.631 -1.717 1.00 1.00 C ATOM 1041 O ALA A 77 -8.293 -4.040 -2.156 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.675 -4.988 0.241 1.00 1.00 C ATOM 0 H ALA A 77 -6.572 -2.565 0.684 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.789 -5.000 -0.839 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.144 -5.736 -0.398 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.266 -5.473 1.127 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.419 -4.251 0.542 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.633 -2.544 -2.156 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.198 -1.730 -3.182 1.00 1.00 C ATOM 1050 C ARG A 78 -6.391 -1.766 -4.386 1.00 1.00 C ATOM 1051 O ARG A 78 -5.324 -2.346 -4.384 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.271 -0.378 -2.645 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.171 -0.404 -1.383 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.527 0.966 -1.034 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.429 1.543 -2.055 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.759 1.616 -1.871 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.305 1.148 -0.779 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.509 2.151 -2.790 1.00 1.00 N ATOM 0 H ARG A 78 -5.741 -2.201 -1.800 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.186 -2.094 -3.464 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.275 -0.015 -2.393 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.680 0.305 -3.389 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.070 -0.991 -1.572 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.647 -0.881 -0.555 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -9.013 0.984 -0.059 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.625 1.573 -0.952 1.00 1.00 H new ATOM 0 HE ARG A 78 -9.030 1.896 -2.925 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.721 0.723 -0.058 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.315 1.208 -0.648 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -11.088 2.513 -3.646 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.518 2.209 -2.655 1.00 1.00 H new ATOM 1072 N THR A 79 -6.875 -1.137 -5.511 1.00 1.00 N ATOM 1073 CA THR A 79 -6.138 -1.165 -6.643 1.00 1.00 C ATOM 1074 C THR A 79 -6.336 -0.003 -7.426 1.00 1.00 C ATOM 1075 O THR A 79 -6.874 -0.076 -8.435 1.00 1.00 O ATOM 1076 CB THR A 79 -6.387 -2.427 -7.393 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.527 -3.501 -6.472 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.195 -2.683 -8.293 1.00 1.00 C ATOM 0 H THR A 79 -7.762 -0.638 -5.573 1.00 1.00 H new ATOM 0 HA THR A 79 -5.082 -1.158 -6.372 1.00 1.00 H new ATOM 0 HB THR A 79 -7.298 -2.345 -7.987 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.692 -4.333 -6.963 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.354 -3.604 -8.854 1.00 1.00 H new ATOM 0 HG22 THR A 79 -5.078 -1.851 -8.987 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.295 -2.779 -7.686 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.718 1.149 -6.897 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.662 2.438 -7.575 1.00 1.00 C ATOM 1088 C CYS A 80 -6.249 2.516 -8.853 1.00 1.00 C ATOM 1089 O CYS A 80 -5.711 3.145 -9.770 1.00 1.00 O ATOM 1090 CB CYS A 80 -4.186 2.921 -7.621 1.00 1.00 C ATOM 1091 SG CYS A 80 -4.019 4.550 -6.429 1.00 1.00 S ATOM 0 H CYS A 80 -5.260 1.156 -5.986 1.00 1.00 H new ATOM 0 HA CYS A 80 -6.291 3.096 -6.976 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.516 2.131 -7.282 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.897 3.166 -8.643 1.00 1.00 H new ATOM 1096 N SER A 81 -7.281 1.917 -8.979 1.00 1.00 N ATOM 1097 CA SER A 81 -8.007 1.864 -10.153 1.00 1.00 C ATOM 1098 C SER A 81 -7.564 0.759 -10.902 1.00 1.00 C ATOM 1099 O SER A 81 -8.306 0.181 -11.689 1.00 1.00 O ATOM 1100 CB SER A 81 -8.042 3.205 -10.870 1.00 1.00 C ATOM 1101 OG SER A 81 -7.223 3.169 -12.034 1.00 1.00 O ATOM 0 H SER A 81 -7.710 1.392 -8.217 1.00 1.00 H new ATOM 0 HA SER A 81 -9.064 1.690 -9.954 1.00 1.00 H new ATOM 0 HB2 SER A 81 -9.067 3.449 -11.147 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.697 3.992 -10.199 1.00 1.00 H new ATOM 0 HG SER A 81 -6.280 3.144 -11.770 1.00 1.00 H new ATOM 1107 N SER A 82 -6.407 0.327 -10.517 1.00 1.00 N ATOM 1108 CA SER A 82 -5.839 -0.937 -10.997 1.00 1.00 C ATOM 1109 C SER A 82 -4.309 -1.179 -10.781 1.00 1.00 C ATOM 1110 O SER A 82 -3.791 -2.162 -11.311 1.00 1.00 O ATOM 1111 CB SER A 82 -6.226 -1.217 -12.357 1.00 1.00 C ATOM 1112 OG SER A 82 -5.300 -2.095 -12.997 1.00 1.00 O ATOM 0 H SER A 82 -5.810 0.827 -9.858 1.00 1.00 H new ATOM 0 HA SER A 82 -6.294 -1.661 -10.322 1.00 1.00 H new ATOM 0 HB2 SER A 82 -7.220 -1.665 -12.368 1.00 1.00 H new ATOM 0 HB3 SER A 82 -6.290 -0.284 -12.917 1.00 1.00 H new ATOM 0 HG SER A 82 -4.948 -2.733 -12.342 1.00 1.00 H new ATOM 1118 N SER A 83 -3.545 -0.313 -9.965 1.00 1.00 N ATOM 1119 CA SER A 83 -2.120 -0.601 -9.767 1.00 1.00 C ATOM 1120 C SER A 83 -1.826 -0.982 -8.346 1.00 1.00 C ATOM 1121 O SER A 83 -0.673 -1.287 -8.031 1.00 1.00 O ATOM 1122 CB SER A 83 -1.223 0.564 -10.258 1.00 1.00 C ATOM 1123 OG SER A 83 -0.990 0.421 -11.664 1.00 1.00 O ATOM 0 H SER A 83 -3.900 0.516 -9.488 1.00 1.00 H new ATOM 0 HA SER A 83 -1.875 -1.465 -10.384 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.704 1.520 -10.053 1.00 1.00 H new ATOM 0 HB3 SER A 83 -0.276 0.561 -9.719 1.00 1.00 H new ATOM 0 HG SER A 83 -0.424 1.157 -11.978 1.00 1.00 H new ATOM 1129 N GLY A 84 -2.862 -1.065 -7.453 1.00 1.00 N ATOM 1130 CA GLY A 84 -2.614 -1.527 -6.086 1.00 1.00 C ATOM 1131 C GLY A 84 -2.610 -0.489 -5.138 1.00 1.00 C ATOM 1132 O GLY A 84 -1.851 -0.575 -4.167 1.00 1.00 O ATOM 0 H GLY A 84 -3.831 -0.825 -7.661 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -3.377 -2.256 -5.813 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -1.654 -2.043 -6.053 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.522 0.568 -5.266 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.569 1.482 -4.334 1.00 1.00 C ATOM 1138 C PHE A 85 -5.000 1.902 -4.237 1.00 1.00 C ATOM 1139 O PHE A 85 -5.622 1.471 -3.393 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.539 2.519 -4.631 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.156 1.997 -4.202 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.715 2.184 -2.895 1.00 1.00 C ATOM 1143 CD2 PHE A 85 -0.357 1.316 -5.117 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.527 1.695 -2.498 1.00 1.00 C ATOM 1145 CE2 PHE A 85 0.888 0.818 -4.725 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.331 1.009 -3.410 1.00 1.00 C ATOM 0 H PHE A 85 -4.172 0.695 -6.042 1.00 1.00 H new ATOM 0 HA PHE A 85 -3.296 1.155 -3.331 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.538 2.753 -5.696 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.773 3.443 -4.101 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -1.338 2.710 -2.187 1.00 1.00 H new ATOM 0 HD2 PHE A 85 -0.700 1.173 -6.131 1.00 1.00 H new ATOM 0 HE1 PHE A 85 0.868 1.846 -1.485 1.00 1.00 H new ATOM 0 HE2 PHE A 85 1.507 0.288 -5.434 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.293 0.626 -3.102 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.507 2.797 -5.029 1.00 1.00 N ATOM 1157 CA CYS A 86 -7.023 3.254 -4.804 1.00 1.00 C ATOM 1158 C CYS A 86 -8.102 2.939 -5.821 1.00 1.00 C ATOM 1159 O CYS A 86 -8.130 3.405 -6.955 1.00 1.00 O ATOM 1160 CB CYS A 86 -7.043 4.639 -4.563 1.00 1.00 C ATOM 1161 SG CYS A 86 -6.032 5.492 -6.060 1.00 1.00 S ATOM 0 H CYS A 86 -5.017 3.248 -5.802 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.312 2.614 -3.970 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -8.067 5.011 -4.525 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.583 4.872 -3.603 1.00 1.00 H new ATOM 1166 N GLN A 87 -9.105 2.088 -5.273 1.00 1.00 N ATOM 1167 CA GLN A 87 -10.225 1.661 -5.994 1.00 1.00 C ATOM 1168 C GLN A 87 -10.882 0.406 -5.368 1.00 1.00 C ATOM 1169 O GLN A 87 -12.101 0.282 -5.340 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.774 1.384 -7.410 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.542 0.215 -8.043 1.00 1.00 C ATOM 1172 CD GLN A 87 -10.016 -1.136 -7.512 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.942 -1.193 -6.924 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.725 -2.215 -7.687 1.00 1.00 N ATOM 0 H GLN A 87 -9.074 1.733 -4.317 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.988 2.439 -5.975 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.914 2.279 -8.016 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.707 1.160 -7.413 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.605 0.309 -7.821 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.438 0.250 -9.127 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.618 -2.164 -8.177 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.387 -3.110 -7.334 1.00 1.00 H new ATOM 1183 N GLY A 88 -10.079 -0.501 -4.941 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.604 -1.753 -4.389 1.00 1.00 C ATOM 1185 C GLY A 88 -11.399 -1.562 -3.124 1.00 1.00 C ATOM 1186 O GLY A 88 -12.394 -0.838 -3.103 1.00 1.00 O ATOM 0 H GLY A 88 -9.062 -0.426 -4.951 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.234 -2.235 -5.136 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.773 -2.430 -4.189 1.00 1.00 H new ATOM 1190 N THR A 89 -11.014 -2.307 -2.081 1.00 1.00 N ATOM 1191 CA THR A 89 -11.761 -2.317 -0.822 1.00 1.00 C ATOM 1192 C THR A 89 -10.978 -1.963 0.439 1.00 1.00 C ATOM 1193 O THR A 89 -11.329 -1.020 1.135 1.00 1.00 O ATOM 1194 CB THR A 89 -12.357 -3.777 -0.697 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.631 -3.798 -1.316 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.514 -4.228 0.792 1.00 1.00 C ATOM 0 H THR A 89 -10.191 -2.909 -2.086 1.00 1.00 H new ATOM 0 HA THR A 89 -12.509 -1.526 -0.875 1.00 1.00 H new ATOM 0 HB THR A 89 -11.665 -4.466 -1.182 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.013 -4.698 -1.248 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.927 -5.236 0.825 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.539 -4.219 1.280 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.186 -3.544 1.310 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.074 -2.802 0.780 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.377 -2.721 2.024 1.00 1.00 C ATOM 1206 C ALA A 90 -10.195 -3.602 2.976 1.00 1.00 C ATOM 1207 O ALA A 90 -11.386 -3.404 3.199 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.207 -1.332 2.585 1.00 1.00 C ATOM 0 H ALA A 90 -9.785 -3.586 0.194 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.347 -3.050 1.886 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.666 -1.385 3.530 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.646 -0.721 1.879 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.187 -0.885 2.753 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.504 -4.508 3.516 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.095 -5.555 4.591 1.00 1.00 C ATOM 1216 C GLY A 91 -8.928 -6.344 5.656 1.00 1.00 C ATOM 1217 O GLY A 91 -9.318 -6.869 6.692 1.00 1.00 O ATOM 0 H GLY A 91 -8.514 -4.648 3.313 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.822 -5.031 5.212 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.638 -6.329 4.049 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.568 -6.266 5.341 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.384 -6.839 6.277 1.00 1.00 C ATOM 1223 C HIS A 92 -6.374 -8.334 6.542 1.00 1.00 C ATOM 1224 O HIS A 92 -7.391 -8.850 7.000 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.520 -6.160 7.739 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.445 -6.939 8.703 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.737 -6.513 8.997 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.241 -8.062 9.463 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.248 -7.370 9.904 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.376 -8.331 10.221 1.00 1.00 N ATOM 0 H HIS A 92 -7.227 -5.834 4.482 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.477 -6.604 5.720 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.529 -6.080 8.186 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.901 -5.145 7.624 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.210 -5.702 8.599 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.335 -8.650 9.472 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.240 -7.289 10.323 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.297 -9.069 6.306 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.360 -10.590 6.650 1.00 1.00 C ATOM 1241 C ALA A 93 -4.782 -10.801 8.048 1.00 1.00 C ATOM 1242 O ALA A 93 -3.566 -10.815 8.229 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.541 -11.509 5.617 1.00 1.00 C ATOM 0 H ALA A 93 -4.417 -8.732 5.915 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.407 -10.888 6.591 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.626 -12.554 5.914 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -4.949 -11.382 4.614 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.491 -11.215 5.621 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.664 -10.957 9.039 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.216 -11.161 10.421 1.00 1.00 C ATOM 1251 C ALA A 94 -4.524 -12.507 10.554 1.00 1.00 C ATOM 1252 O ALA A 94 -5.218 -13.491 10.738 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.437 -11.101 11.405 1.00 1.00 C ATOM 0 H ALA A 94 -6.676 -10.947 8.915 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.513 -10.368 10.676 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.089 -11.254 12.427 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.919 -10.126 11.328 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -7.153 -11.881 11.145 1.00 1.00 H new TER 1259 ALA A 94