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= -0.734 USER MOD Set 1.2: A 87 GLN : amide:sc= -11.3! C(o=-12!,f=-26!) USER MOD Set 2.1: A 69 SER OG : rot -64:sc= 0.751 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.426 K(o=0.33,f=-5.7!) USER MOD Set 3.1: A 31 THR OG1 : rot 155:sc= -7.69! USER MOD Set 3.2: A 39 GLN : amide:sc= -6.24! C(o=-14!,f=-16!) USER MOD Set 4.1: A 1 GLY N :NH3+ -167:sc= -25.8! (180deg=-17.6!) USER MOD Set 4.2: A 22 ASN : amide:sc= -5.24! C(o=-55!,f=-62!) USER MOD Set 4.3: A 23 ASN : amide:sc= -24.2! C(o=-55!,f=-62!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.922 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.45) USER MOD Single : A 12 ASN : amide:sc= -1.99! C(o=-2!,f=-7!) USER MOD Single : A 13 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.8!) USER MOD Single : A 18 ASN : amide:sc= -8.82! C(o=-8.8!,f=-17!) USER MOD Single : A 21 SER OG : rot 42:sc= 0.907 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 33 SER OG : rot -18:sc= 0.721 USER MOD Single : A 34 SER OG : rot -33:sc= 0.333 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 170:sc= -5.11! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= -1.75! (180deg=-2.04!) USER MOD Single : A 53 THR OG1 : rot -159:sc= -5.78! 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= -1.6 X(o=-1.6,f=-1.6) USER MOD Single : A 66 ASN : amide:sc= -5.87! C(o=-5.9!,f=-5!) USER MOD Single : A 71 SER OG : rot -58:sc= 0.21 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.33! C(o=-4.3!,f=-7.3!) USER MOD Single : A 81 SER OG : rot -69:sc= 0.352 USER MOD Single : A 82 SER OG : rot 28: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= -5.75! C(o=-5.7!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.936 -5.173 3.825 1.00 1.00 N ATOM 2 CA GLY A 1 6.584 -6.177 3.109 1.00 1.00 C ATOM 3 C GLY A 1 6.394 -7.315 4.045 1.00 1.00 C ATOM 4 O GLY A 1 7.397 -7.833 4.560 1.00 1.00 O ATOM 0 H1 GLY A 1 6.869 -4.303 3.259 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.308 -5.098 4.651 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.916 -5.303 4.147 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.663 -5.963 2.566 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.346 -6.409 2.365 1.00 1.00 H new ATOM 10 N SER A 2 5.095 -7.855 4.248 1.00 1.00 N ATOM 11 CA SER A 2 4.938 -9.037 5.062 1.00 1.00 C ATOM 12 C SER A 2 3.848 -9.816 4.455 1.00 1.00 C ATOM 13 O SER A 2 4.075 -10.886 3.867 1.00 1.00 O ATOM 14 CB SER A 2 4.656 -8.686 6.514 1.00 1.00 C ATOM 15 OG SER A 2 5.110 -9.726 7.362 1.00 1.00 O ATOM 0 H SER A 2 4.233 -7.472 3.859 1.00 1.00 H new ATOM 0 HA SER A 2 5.858 -9.622 5.086 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.153 -7.751 6.774 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.587 -8.529 6.658 1.00 1.00 H new ATOM 0 HG SER A 2 4.926 -9.491 8.295 1.00 1.00 H new ATOM 21 N GLY A 3 2.692 -9.364 4.610 1.00 1.00 N ATOM 22 CA GLY A 3 1.573 -10.044 4.088 1.00 1.00 C ATOM 23 C GLY A 3 0.450 -9.105 3.842 1.00 1.00 C ATOM 24 O GLY A 3 0.508 -7.961 4.215 1.00 1.00 O ATOM 0 H GLY A 3 2.474 -8.501 5.107 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.846 -10.542 3.158 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.257 -10.821 4.784 1.00 1.00 H new ATOM 28 N PRO A 4 -0.589 -9.576 3.218 1.00 1.00 N ATOM 29 CA PRO A 4 -1.780 -8.731 2.907 1.00 1.00 C ATOM 30 C PRO A 4 -2.233 -8.161 4.047 1.00 1.00 C ATOM 31 O PRO A 4 -3.120 -8.701 4.680 1.00 1.00 O ATOM 32 CB PRO A 4 -2.818 -9.716 2.321 1.00 1.00 C ATOM 33 CG PRO A 4 -2.245 -11.099 2.597 1.00 1.00 C ATOM 34 CD PRO A 4 -0.729 -10.922 2.766 1.00 1.00 C ATOM 0 HA PRO A 4 -1.564 -7.921 2.210 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.792 -9.591 2.793 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.958 -9.553 1.253 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.687 -11.529 3.496 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.466 -11.781 1.776 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.322 -11.630 3.488 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.201 -11.085 1.827 1.00 1.00 H new ATOM 42 N THR A 5 -1.708 -7.101 4.399 1.00 1.00 N ATOM 43 CA THR A 5 -2.074 -6.471 5.572 1.00 1.00 C ATOM 44 C THR A 5 -1.004 -5.687 6.102 1.00 1.00 C ATOM 45 O THR A 5 -1.260 -4.931 6.912 1.00 1.00 O ATOM 46 CB THR A 5 -2.437 -7.457 6.755 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.202 -6.802 8.020 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.580 -8.818 6.727 1.00 1.00 C ATOM 0 H THR A 5 -0.983 -6.619 3.868 1.00 1.00 H new ATOM 0 HA THR A 5 -2.943 -5.884 5.274 1.00 1.00 H new ATOM 0 HB THR A 5 -3.487 -7.719 6.629 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.405 -5.847 7.936 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.876 -9.451 7.563 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.764 -9.344 5.790 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.519 -8.582 6.808 1.00 1.00 H new ATOM 56 N TYR A 6 0.420 -6.062 5.816 1.00 1.00 N ATOM 57 CA TYR A 6 1.453 -5.385 6.581 1.00 1.00 C ATOM 58 C TYR A 6 1.219 -4.197 6.846 1.00 1.00 C ATOM 59 O TYR A 6 1.704 -3.657 7.863 1.00 1.00 O ATOM 60 CB TYR A 6 2.853 -5.461 6.139 1.00 1.00 C ATOM 61 CG TYR A 6 3.781 -5.095 7.595 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.111 -6.125 8.515 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.184 -3.743 7.934 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.822 -5.825 9.695 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.886 -3.485 9.105 1.00 1.00 C ATOM 66 CZ TYR A 6 5.208 -4.513 9.976 1.00 1.00 C ATOM 67 OH TYR A 6 5.903 -4.232 11.135 1.00 1.00 O ATOM 0 H TYR A 6 0.737 -6.750 5.133 1.00 1.00 H new ATOM 0 HA TYR A 6 1.377 -6.020 7.464 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.095 -6.450 5.749 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.060 -4.745 5.343 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.816 -7.143 8.310 1.00 1.00 H new ATOM 0 HD2 TYR A 6 3.936 -2.929 7.269 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.070 -6.616 10.387 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.183 -2.473 9.338 1.00 1.00 H new ATOM 0 HH TYR A 6 6.095 -3.272 11.177 1.00 1.00 H new ATOM 77 N CYS A 7 0.449 -3.629 6.076 1.00 1.00 N ATOM 78 CA CYS A 7 0.124 -2.404 6.318 1.00 1.00 C ATOM 79 C CYS A 7 1.209 -1.493 6.522 1.00 1.00 C ATOM 80 O CYS A 7 1.240 -0.750 7.524 1.00 1.00 O ATOM 81 CB CYS A 7 -0.728 -2.392 7.517 1.00 1.00 C ATOM 82 SG CYS A 7 -1.416 -0.677 7.815 1.00 1.00 S ATOM 0 H CYS A 7 0.032 -4.044 5.243 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.379 -2.048 5.419 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.546 -3.102 7.396 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.151 -2.714 8.384 1.00 1.00 H new ATOM 87 N TRP A 8 2.043 -1.459 5.597 1.00 1.00 N ATOM 88 CA TRP A 8 3.107 -0.470 5.664 1.00 1.00 C ATOM 89 C TRP A 8 2.374 0.799 6.050 1.00 1.00 C ATOM 90 O TRP A 8 1.607 1.256 5.245 1.00 1.00 O ATOM 91 CB TRP A 8 3.723 -0.247 4.361 1.00 1.00 C ATOM 92 CG TRP A 8 5.017 0.705 4.560 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.326 1.882 3.843 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.148 0.576 5.576 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.531 2.373 4.281 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.066 1.626 5.355 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.472 -0.366 6.653 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.223 1.757 6.131 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.631 -0.198 7.410 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.494 0.849 7.153 1.00 1.00 C ATOM 0 H TRP A 8 2.051 -2.071 4.781 1.00 1.00 H new ATOM 0 HA TRP A 8 3.898 -0.779 6.347 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.017 -1.197 3.914 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.011 0.219 3.680 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.712 2.325 3.073 1.00 1.00 H new ATOM 0 HE1 TRP A 8 6.990 3.188 3.875 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.810 -1.193 6.861 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.910 2.567 5.937 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.856 -0.894 8.205 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.387 0.965 7.749 1.00 1.00 H new ATOM 111 N ASN A 9 2.455 1.306 7.297 1.00 1.00 N ATOM 112 CA ASN A 9 1.610 2.418 7.670 1.00 1.00 C ATOM 113 C ASN A 9 1.301 3.348 6.590 1.00 1.00 C ATOM 114 O ASN A 9 0.179 3.845 6.486 1.00 1.00 O ATOM 115 CB ASN A 9 2.207 3.164 8.856 1.00 1.00 C ATOM 116 CG ASN A 9 2.446 2.197 10.009 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.574 1.390 10.336 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.581 2.227 10.649 1.00 1.00 N ATOM 0 H ASN A 9 3.079 0.966 8.028 1.00 1.00 H new ATOM 0 HA ASN A 9 0.655 1.970 7.945 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.145 3.636 8.565 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.534 3.961 9.172 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.748 1.582 11.421 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.302 2.895 10.377 1.00 1.00 H new ATOM 125 N GLU A 10 2.215 3.599 5.837 1.00 1.00 N ATOM 126 CA GLU A 10 2.061 4.509 4.754 1.00 1.00 C ATOM 127 C GLU A 10 1.355 5.793 5.184 1.00 1.00 C ATOM 128 O GLU A 10 0.398 6.251 4.546 1.00 1.00 O ATOM 129 CB GLU A 10 1.313 3.938 3.513 1.00 1.00 C ATOM 130 CG GLU A 10 2.130 2.929 2.828 1.00 1.00 C ATOM 131 CD GLU A 10 1.263 2.083 1.878 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.776 2.634 0.901 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.104 0.907 2.144 1.00 1.00 O ATOM 0 H GLU A 10 3.146 3.190 5.915 1.00 1.00 H new ATOM 0 HA GLU A 10 3.088 4.713 4.451 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.367 3.495 3.825 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.074 4.747 2.823 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.925 3.418 2.265 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.611 2.283 3.562 1.00 1.00 H new ATOM 140 N ALA A 11 1.919 6.406 6.177 1.00 1.00 N ATOM 141 CA ALA A 11 1.511 7.595 6.587 1.00 1.00 C ATOM 142 C ALA A 11 2.553 8.082 7.501 1.00 1.00 C ATOM 143 O ALA A 11 2.746 7.525 8.581 1.00 1.00 O ATOM 144 CB ALA A 11 0.193 7.569 7.218 1.00 1.00 C ATOM 0 H ALA A 11 2.704 6.026 6.707 1.00 1.00 H new ATOM 0 HA ALA A 11 1.378 8.264 5.737 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.081 8.577 7.531 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.544 7.197 6.506 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.219 6.914 8.089 1.00 1.00 H new ATOM 150 N ASN A 12 3.149 9.093 7.122 1.00 1.00 N ATOM 151 CA ASN A 12 4.217 9.795 7.917 1.00 1.00 C ATOM 152 C ASN A 12 5.249 10.652 6.924 1.00 1.00 C ATOM 153 O ASN A 12 6.444 10.740 7.181 1.00 1.00 O ATOM 154 CB ASN A 12 4.990 8.747 8.809 1.00 1.00 C ATOM 155 CG ASN A 12 6.422 9.188 9.108 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.365 8.669 8.519 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.639 10.121 9.989 1.00 1.00 N ATOM 0 H ASN A 12 2.960 9.538 6.224 1.00 1.00 H new ATOM 0 HA ASN A 12 3.746 10.524 8.576 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.453 8.604 9.746 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.007 7.783 8.301 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.593 10.421 10.190 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.855 10.552 10.479 1.00 1.00 H new ATOM 164 N ASN A 13 4.691 11.345 5.855 1.00 1.00 N ATOM 165 CA ASN A 13 5.519 12.209 4.989 1.00 1.00 C ATOM 166 C ASN A 13 4.675 12.856 3.820 1.00 1.00 C ATOM 167 O ASN A 13 3.604 12.377 3.486 1.00 1.00 O ATOM 168 CB ASN A 13 6.679 11.426 4.388 1.00 1.00 C ATOM 169 CG ASN A 13 8.037 12.157 4.583 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.581 12.722 3.635 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.604 12.163 5.758 1.00 1.00 N ATOM 0 H ASN A 13 3.704 11.308 5.600 1.00 1.00 H new ATOM 0 HA ASN A 13 5.904 13.007 5.623 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.728 10.440 4.849 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.500 11.272 3.324 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.498 12.636 5.890 1.00 1.00 H new ATOM 0 HD22 ASN A 13 8.153 11.695 6.544 1.00 1.00 H new ATOM 178 N PRO A 14 5.209 13.946 3.193 1.00 1.00 N ATOM 179 CA PRO A 14 4.560 14.659 2.040 1.00 1.00 C ATOM 180 C PRO A 14 5.062 14.192 0.593 1.00 1.00 C ATOM 181 O PRO A 14 4.538 14.667 -0.414 1.00 1.00 O ATOM 182 CB PRO A 14 4.932 16.132 2.284 1.00 1.00 C ATOM 183 CG PRO A 14 5.958 16.078 3.395 1.00 1.00 C ATOM 184 CD PRO A 14 6.391 14.601 3.519 1.00 1.00 C ATOM 0 HA PRO A 14 3.490 14.452 2.016 1.00 1.00 H new ATOM 0 HB2 PRO A 14 5.342 16.593 1.385 1.00 1.00 H new ATOM 0 HB3 PRO A 14 4.061 16.720 2.575 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.812 16.715 3.166 1.00 1.00 H new ATOM 0 HG3 PRO A 14 5.534 16.438 4.332 1.00 1.00 H new ATOM 0 HD2 PRO A 14 7.202 14.351 2.835 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.734 14.356 4.524 1.00 1.00 H new ATOM 192 N GLY A 15 5.997 13.263 0.518 1.00 1.00 N ATOM 193 CA GLY A 15 6.473 12.731 -0.839 1.00 1.00 C ATOM 194 C GLY A 15 5.786 11.426 -1.042 1.00 1.00 C ATOM 195 O GLY A 15 6.246 10.515 -1.704 1.00 1.00 O ATOM 0 H GLY A 15 6.457 12.844 1.326 1.00 1.00 H new ATOM 0 HA2 GLY A 15 6.225 13.429 -1.639 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.556 12.606 -0.849 1.00 1.00 H new ATOM 199 N GLY A 16 4.702 11.381 -0.451 1.00 1.00 N ATOM 200 CA GLY A 16 3.861 10.230 -0.435 1.00 1.00 C ATOM 201 C GLY A 16 3.656 9.934 0.991 1.00 1.00 C ATOM 202 O GLY A 16 3.484 10.859 1.749 1.00 1.00 O ATOM 0 H GLY A 16 4.323 12.169 0.074 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.914 10.425 -0.939 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.329 9.391 -0.950 1.00 1.00 H new ATOM 206 N PRO A 17 3.672 8.679 1.464 1.00 1.00 N ATOM 207 CA PRO A 17 3.477 8.423 2.930 1.00 1.00 C ATOM 208 C PRO A 17 4.722 8.601 3.605 1.00 1.00 C ATOM 209 O PRO A 17 5.557 9.323 3.114 1.00 1.00 O ATOM 210 CB PRO A 17 3.091 6.919 2.903 1.00 1.00 C ATOM 211 CG PRO A 17 2.896 6.576 1.499 1.00 1.00 C ATOM 212 CD PRO A 17 3.814 7.465 0.762 1.00 1.00 C ATOM 0 HA PRO A 17 2.755 9.068 3.430 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.876 6.307 3.348 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.182 6.740 3.478 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.127 5.527 1.312 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.862 6.734 1.193 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.841 7.099 0.783 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.532 7.564 -0.286 1.00 1.00 H new ATOM 220 N ASN A 18 4.937 7.806 4.829 1.00 1.00 N ATOM 221 CA ASN A 18 6.239 7.810 5.530 1.00 1.00 C ATOM 222 C ASN A 18 7.300 7.857 4.488 1.00 1.00 C ATOM 223 O ASN A 18 8.489 7.940 4.790 1.00 1.00 O ATOM 224 CB ASN A 18 6.425 6.466 6.399 1.00 1.00 C ATOM 225 CG ASN A 18 5.126 5.660 6.421 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.158 6.050 7.065 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.058 4.544 5.749 1.00 1.00 N ATOM 0 H ASN A 18 4.225 7.218 5.261 1.00 1.00 H new ATOM 0 HA ASN A 18 6.294 8.665 6.204 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.228 5.861 5.978 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.719 6.722 7.417 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.199 3.994 5.759 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.864 4.221 5.214 1.00 1.00 H new ATOM 234 N ARG A 19 6.810 7.728 3.221 1.00 1.00 N ATOM 235 CA ARG A 19 7.533 7.699 2.099 1.00 1.00 C ATOM 236 C ARG A 19 7.903 6.447 2.001 1.00 1.00 C ATOM 237 O ARG A 19 8.931 6.090 2.511 1.00 1.00 O ATOM 238 CB ARG A 19 8.698 8.786 2.110 1.00 1.00 C ATOM 239 CG ARG A 19 8.228 10.020 1.281 1.00 1.00 C ATOM 240 CD ARG A 19 8.726 9.873 -0.202 1.00 1.00 C ATOM 241 NE ARG A 19 10.007 10.575 -0.385 1.00 1.00 N ATOM 242 CZ ARG A 19 10.351 11.086 -1.576 1.00 1.00 C ATOM 243 NH1 ARG A 19 9.554 10.939 -2.603 1.00 1.00 N ATOM 244 NH2 ARG A 19 11.476 11.727 -1.712 1.00 1.00 N ATOM 0 H ARG A 19 5.810 7.641 3.040 1.00 1.00 H new ATOM 0 HA ARG A 19 6.985 7.992 1.203 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.930 9.083 3.133 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.610 8.368 1.684 1.00 1.00 H new ATOM 0 HG2 ARG A 19 7.141 10.096 1.305 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.621 10.937 1.719 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.843 8.818 -0.450 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.980 10.280 -0.885 1.00 1.00 H new ATOM 0 HE ARG A 19 10.643 10.674 0.406 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.673 10.436 -2.497 1.00 1.00 H new ATOM 0 HH12 ARG A 19 9.814 11.327 -3.510 1.00 1.00 H new ATOM 0 HH21 ARG A 19 12.098 11.841 -0.912 1.00 1.00 H new ATOM 0 HH22 ARG A 19 11.736 12.115 -2.619 1.00 1.00 H new ATOM 258 N CYS A 20 6.873 5.546 1.236 1.00 1.00 N ATOM 259 CA CYS A 20 7.071 4.052 1.018 1.00 1.00 C ATOM 260 C CYS A 20 8.509 3.976 1.481 1.00 1.00 C ATOM 261 O CYS A 20 9.345 4.682 0.930 1.00 1.00 O ATOM 262 CB CYS A 20 6.785 3.723 -0.525 1.00 1.00 C ATOM 263 SG CYS A 20 6.756 1.843 -1.023 1.00 1.00 S ATOM 0 H CYS A 20 6.006 5.906 0.837 1.00 1.00 H new ATOM 0 HA CYS A 20 6.433 3.331 1.528 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.824 4.162 -0.795 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.544 4.223 -1.126 1.00 1.00 H new ATOM 268 N SER A 21 8.784 3.279 2.481 1.00 1.00 N ATOM 269 CA SER A 21 10.194 3.341 3.080 1.00 1.00 C ATOM 270 C SER A 21 10.837 1.974 3.550 1.00 1.00 C ATOM 271 O SER A 21 11.880 1.984 4.210 1.00 1.00 O ATOM 272 CB SER A 21 10.043 4.299 4.305 1.00 1.00 C ATOM 273 OG SER A 21 10.813 3.812 5.401 1.00 1.00 O ATOM 0 H SER A 21 8.135 2.650 2.953 1.00 1.00 H new ATOM 0 HA SER A 21 10.882 3.670 2.301 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.373 5.302 4.035 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.994 4.374 4.591 1.00 1.00 H new ATOM 0 HG SER A 21 11.680 3.493 5.075 1.00 1.00 H new ATOM 279 N ASN A 22 10.238 0.870 3.223 1.00 1.00 N ATOM 280 CA ASN A 22 10.770 -0.427 3.621 1.00 1.00 C ATOM 281 C ASN A 22 10.149 -1.431 2.807 1.00 1.00 C ATOM 282 O ASN A 22 9.060 -1.219 2.328 1.00 1.00 O ATOM 283 CB ASN A 22 10.429 -0.638 5.105 1.00 1.00 C ATOM 284 CG ASN A 22 11.460 -1.509 5.821 1.00 1.00 C ATOM 285 OD1 ASN A 22 11.099 -2.275 6.721 1.00 1.00 O ATOM 286 ND2 ASN A 22 12.725 -1.424 5.499 1.00 1.00 N ATOM 0 H ASN A 22 9.376 0.826 2.679 1.00 1.00 H new ATOM 0 HA ASN A 22 11.851 -0.483 3.489 1.00 1.00 H new ATOM 0 HB2 ASN A 22 10.367 0.330 5.602 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.446 -1.102 5.187 1.00 1.00 H new ATOM 0 HD21 ASN A 22 13.416 -1.991 5.991 1.00 1.00 H new ATOM 0 HD22 ASN A 22 13.021 -0.791 4.756 1.00 1.00 H new ATOM 293 N ASN A 23 10.783 -2.572 2.619 1.00 1.00 N ATOM 294 CA ASN A 23 10.163 -3.548 1.827 1.00 1.00 C ATOM 295 C ASN A 23 9.727 -2.860 0.457 1.00 1.00 C ATOM 296 O ASN A 23 8.616 -2.384 0.305 1.00 1.00 O ATOM 297 CB ASN A 23 8.959 -4.137 2.666 1.00 1.00 C ATOM 298 CG ASN A 23 8.826 -3.462 4.081 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.763 -3.055 4.489 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.856 -3.372 4.811 1.00 1.00 N ATOM 0 H ASN A 23 11.697 -2.817 3.001 1.00 1.00 H new ATOM 0 HA ASN A 23 10.816 -4.381 1.567 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.031 -3.998 2.111 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.098 -5.211 2.791 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.788 -2.957 5.740 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.754 -3.714 4.470 1.00 1.00 H new ATOM 307 N LYS A 24 10.702 -2.741 -0.415 1.00 1.00 N ATOM 308 CA LYS A 24 10.553 -1.990 -1.702 1.00 1.00 C ATOM 309 C LYS A 24 9.840 -0.707 -1.389 1.00 1.00 C ATOM 310 O LYS A 24 9.120 -0.158 -2.211 1.00 1.00 O ATOM 311 CB LYS A 24 9.818 -2.743 -2.793 1.00 1.00 C ATOM 312 CG LYS A 24 10.674 -3.850 -3.343 1.00 1.00 C ATOM 313 CD LYS A 24 9.783 -4.837 -4.224 1.00 1.00 C ATOM 314 CE LYS A 24 10.584 -5.360 -5.461 1.00 1.00 C ATOM 315 NZ LYS A 24 10.329 -4.478 -6.638 1.00 1.00 N ATOM 0 H LYS A 24 11.627 -3.149 -0.280 1.00 1.00 H new ATOM 0 HA LYS A 24 11.552 -1.824 -2.106 1.00 1.00 H new ATOM 0 HB2 LYS A 24 8.891 -3.156 -2.396 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.543 -2.057 -3.594 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.478 -3.433 -3.949 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.142 -4.400 -2.526 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.456 -5.680 -3.615 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.884 -4.320 -4.560 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.650 -5.380 -5.234 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.288 -6.384 -5.691 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.864 -4.830 -7.458 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.313 -4.481 -6.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.632 -3.508 -6.417 1.00 1.00 H new ATOM 329 N GLN A 25 10.089 -0.264 -0.122 1.00 1.00 N ATOM 330 CA GLN A 25 9.555 0.929 0.435 1.00 1.00 C ATOM 331 C GLN A 25 8.171 0.755 0.952 1.00 1.00 C ATOM 332 O GLN A 25 7.691 1.597 1.580 1.00 1.00 O ATOM 333 CB GLN A 25 9.688 2.122 -0.585 1.00 1.00 C ATOM 334 CG GLN A 25 11.086 2.803 -0.445 1.00 1.00 C ATOM 335 CD GLN A 25 12.012 2.418 -1.618 1.00 1.00 C ATOM 336 OE1 GLN A 25 13.044 1.782 -1.413 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.691 2.774 -2.830 1.00 1.00 N ATOM 0 H GLN A 25 10.690 -0.772 0.527 1.00 1.00 H new ATOM 0 HA GLN A 25 10.151 1.182 1.312 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.555 1.755 -1.603 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.900 2.853 -0.404 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.965 3.886 -0.414 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.546 2.506 0.498 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.834 3.302 -2.997 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.297 2.525 -3.612 1.00 1.00 H new ATOM 346 N CYS A 26 7.507 -0.338 0.695 1.00 1.00 N ATOM 347 CA CYS A 26 6.107 -0.468 1.228 1.00 1.00 C ATOM 348 C CYS A 26 6.003 -1.489 2.451 1.00 1.00 C ATOM 349 O CYS A 26 6.831 -1.438 3.311 1.00 1.00 O ATOM 350 CB CYS A 26 5.146 -0.687 -0.009 1.00 1.00 C ATOM 351 SG CYS A 26 4.855 1.045 -0.785 1.00 1.00 S ATOM 0 H CYS A 26 7.854 -1.131 0.155 1.00 1.00 H new ATOM 0 HA CYS A 26 5.766 0.445 1.717 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.595 -1.366 -0.734 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.203 -1.134 0.306 1.00 1.00 H new ATOM 356 N ASP A 27 5.018 -2.371 2.435 1.00 1.00 N ATOM 357 CA ASP A 27 4.776 -3.348 3.373 1.00 1.00 C ATOM 358 C ASP A 27 3.516 -3.936 3.021 1.00 1.00 C ATOM 359 O ASP A 27 2.598 -3.260 2.568 1.00 1.00 O ATOM 360 CB ASP A 27 4.911 -2.898 4.844 1.00 1.00 C ATOM 361 CG ASP A 27 5.632 -3.942 5.704 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.352 -5.107 5.550 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.460 -3.542 6.513 1.00 1.00 O ATOM 0 H ASP A 27 4.331 -2.386 1.681 1.00 1.00 H new ATOM 0 HA ASP A 27 5.561 -4.103 3.341 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.457 -1.956 4.885 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.920 -2.711 5.257 1.00 1.00 H new ATOM 368 N GLY A 28 3.488 -5.231 3.100 1.00 1.00 N ATOM 369 CA GLY A 28 2.403 -6.003 2.678 1.00 1.00 C ATOM 370 C GLY A 28 2.892 -7.338 1.886 1.00 1.00 C ATOM 371 O GLY A 28 2.148 -7.924 1.226 1.00 1.00 O ATOM 0 H GLY A 28 4.259 -5.782 3.477 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.802 -6.290 3.541 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.762 -5.407 2.028 1.00 1.00 H new ATOM 375 N ALA A 29 4.151 -7.754 2.112 1.00 1.00 N ATOM 376 CA ALA A 29 4.746 -8.997 1.550 1.00 1.00 C ATOM 377 C ALA A 29 6.173 -8.840 1.095 1.00 1.00 C ATOM 378 O ALA A 29 6.896 -9.832 1.033 1.00 1.00 O ATOM 379 CB ALA A 29 3.843 -9.657 0.428 1.00 1.00 C ATOM 0 H ALA A 29 4.801 -7.232 2.700 1.00 1.00 H new ATOM 0 HA ALA A 29 4.776 -9.691 2.390 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.327 -10.560 0.055 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.871 -9.914 0.848 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.709 -8.952 -0.392 1.00 1.00 H new ATOM 385 N ARG A 30 6.614 -7.629 0.714 1.00 1.00 N ATOM 386 CA ARG A 30 8.035 -7.553 0.202 1.00 1.00 C ATOM 387 C ARG A 30 9.074 -8.370 1.165 1.00 1.00 C ATOM 388 O ARG A 30 8.748 -8.912 2.233 1.00 1.00 O ATOM 389 CB ARG A 30 8.583 -6.014 -0.329 1.00 1.00 C ATOM 390 CG ARG A 30 7.509 -5.417 -1.186 1.00 1.00 C ATOM 391 CD ARG A 30 6.538 -4.393 -0.492 1.00 1.00 C ATOM 392 NE ARG A 30 6.748 -3.080 -1.095 1.00 1.00 N ATOM 393 CZ ARG A 30 6.468 -2.842 -2.441 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.060 -3.814 -3.219 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.604 -1.623 -2.939 1.00 1.00 N ATOM 0 H ARG A 30 6.086 -6.756 0.736 1.00 1.00 H new ATOM 0 HA ARG A 30 8.012 -8.085 -0.749 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.794 -5.369 0.524 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.511 -6.112 -0.892 1.00 1.00 H new ATOM 0 HG2 ARG A 30 7.985 -4.916 -2.029 1.00 1.00 H new ATOM 0 HG3 ARG A 30 6.910 -6.230 -1.596 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.502 -4.707 -0.618 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.731 -4.354 0.580 1.00 1.00 H new ATOM 0 HE ARG A 30 7.108 -2.319 -0.519 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.944 -4.755 -2.842 1.00 1.00 H new ATOM 0 HH12 ARG A 30 5.858 -3.630 -4.202 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.913 -0.858 -2.339 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.400 -1.448 -3.923 1.00 1.00 H new ATOM 409 N THR A 31 10.147 -8.477 0.616 1.00 1.00 N ATOM 410 CA THR A 31 11.237 -9.179 0.999 1.00 1.00 C ATOM 411 C THR A 31 12.410 -8.445 0.784 1.00 1.00 C ATOM 412 O THR A 31 12.492 -7.910 -0.150 1.00 1.00 O ATOM 413 CB THR A 31 11.248 -10.337 -0.084 1.00 1.00 C ATOM 414 OG1 THR A 31 11.571 -9.882 -1.335 1.00 1.00 O ATOM 415 CG2 THR A 31 9.844 -10.966 -0.128 1.00 1.00 C ATOM 0 H THR A 31 10.319 -7.994 -0.266 1.00 1.00 H new ATOM 0 HA THR A 31 11.201 -9.472 2.048 1.00 1.00 H new ATOM 0 HB THR A 31 12.008 -11.064 0.204 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.952 -10.615 -1.862 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.827 -11.767 -0.867 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.596 -11.372 0.853 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.113 -10.205 -0.400 1.00 1.00 H new ATOM 423 N CYS A 32 13.319 -8.337 1.651 1.00 1.00 N ATOM 424 CA CYS A 32 14.556 -7.400 1.274 1.00 1.00 C ATOM 425 C CYS A 32 15.525 -8.083 0.419 1.00 1.00 C ATOM 426 O CYS A 32 15.299 -9.174 -0.093 1.00 1.00 O ATOM 427 CB CYS A 32 15.211 -6.614 2.559 1.00 1.00 C ATOM 428 SG CYS A 32 16.491 -5.431 2.083 1.00 1.00 S ATOM 0 H CYS A 32 13.343 -8.787 2.566 1.00 1.00 H new ATOM 0 HA CYS A 32 14.152 -6.591 0.665 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.422 -6.090 3.099 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.637 -7.345 3.247 1.00 1.00 H new ATOM 433 N SER A 33 16.573 -7.453 0.288 1.00 1.00 N ATOM 434 CA SER A 33 17.706 -8.019 -0.555 1.00 1.00 C ATOM 435 C SER A 33 18.447 -8.967 0.238 1.00 1.00 C ATOM 436 O SER A 33 19.405 -9.610 -0.195 1.00 1.00 O ATOM 437 CB SER A 33 18.504 -7.013 -1.182 1.00 1.00 C ATOM 438 OG SER A 33 19.658 -7.609 -1.779 1.00 1.00 O ATOM 0 H SER A 33 16.761 -6.544 0.712 1.00 1.00 H new ATOM 0 HA SER A 33 17.286 -8.554 -1.407 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.919 -6.493 -1.941 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.808 -6.267 -0.447 1.00 1.00 H new ATOM 0 HG SER A 33 19.803 -8.498 -1.394 1.00 1.00 H new ATOM 444 N SER A 34 17.929 -9.117 1.314 1.00 1.00 N ATOM 445 CA SER A 34 18.251 -9.996 2.297 1.00 1.00 C ATOM 446 C SER A 34 16.837 -10.766 2.666 1.00 1.00 C ATOM 447 O SER A 34 16.771 -11.470 3.666 1.00 1.00 O ATOM 448 CB SER A 34 18.752 -9.231 3.473 1.00 1.00 C ATOM 449 OG SER A 34 19.172 -10.131 4.492 1.00 1.00 O ATOM 0 H SER A 34 17.135 -8.538 1.587 1.00 1.00 H new ATOM 0 HA SER A 34 19.024 -10.706 2.002 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.583 -8.592 3.175 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.967 -8.577 3.854 1.00 1.00 H new ATOM 0 HG SER A 34 18.613 -10.936 4.468 1.00 1.00 H new ATOM 455 N SER A 35 15.678 -10.585 1.733 1.00 1.00 N ATOM 456 CA SER A 35 14.448 -11.184 1.899 1.00 1.00 C ATOM 457 C SER A 35 13.782 -10.648 3.039 1.00 1.00 C ATOM 458 O SER A 35 12.613 -10.924 3.296 1.00 1.00 O ATOM 459 CB SER A 35 14.568 -12.619 2.024 1.00 1.00 C ATOM 460 OG SER A 35 15.280 -13.135 0.904 1.00 1.00 O ATOM 0 H SER A 35 15.729 -9.996 0.902 1.00 1.00 H new ATOM 0 HA SER A 35 13.857 -10.972 1.008 1.00 1.00 H new ATOM 0 HB2 SER A 35 15.089 -12.872 2.948 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.579 -13.074 2.081 1.00 1.00 H new ATOM 0 HG SER A 35 15.363 -14.108 0.989 1.00 1.00 H new ATOM 466 N GLY A 36 14.523 -9.872 3.760 1.00 1.00 N ATOM 467 CA GLY A 36 14.021 -9.272 4.917 1.00 1.00 C ATOM 468 C GLY A 36 12.728 -8.660 4.590 1.00 1.00 C ATOM 469 O GLY A 36 11.676 -9.179 4.946 1.00 1.00 O ATOM 0 H GLY A 36 15.495 -9.646 3.549 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.902 -10.012 5.708 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.716 -8.518 5.287 1.00 1.00 H new ATOM 473 N PHE A 37 12.784 -7.583 3.899 1.00 1.00 N ATOM 474 CA PHE A 37 11.689 -6.936 3.532 1.00 1.00 C ATOM 475 C PHE A 37 12.096 -5.696 2.796 1.00 1.00 C ATOM 476 O PHE A 37 12.063 -4.640 3.378 1.00 1.00 O ATOM 477 CB PHE A 37 10.791 -6.552 4.826 1.00 1.00 C ATOM 478 CG PHE A 37 11.653 -6.190 6.074 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.183 -4.862 6.251 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.889 -7.159 7.062 1.00 1.00 C ATOM 481 CE1 PHE A 37 12.928 -4.562 7.392 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.637 -6.838 8.201 1.00 1.00 C ATOM 483 CZ PHE A 37 13.157 -5.547 8.365 1.00 1.00 C ATOM 0 H PHE A 37 13.654 -7.151 3.586 1.00 1.00 H new ATOM 0 HA PHE A 37 11.086 -7.573 2.885 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.147 -5.708 4.578 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.139 -7.390 5.071 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.005 -4.102 5.504 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.492 -8.156 6.943 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.330 -3.569 7.527 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.814 -7.589 8.957 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.737 -5.309 9.245 1.00 1.00 H new ATOM 493 N CYS A 38 12.548 -5.770 1.371 1.00 1.00 N ATOM 494 CA CYS A 38 12.943 -4.574 0.602 1.00 1.00 C ATOM 495 C CYS A 38 13.113 -4.896 -0.809 1.00 1.00 C ATOM 496 O CYS A 38 13.797 -4.222 -1.571 1.00 1.00 O ATOM 497 CB CYS A 38 14.173 -3.861 1.173 1.00 1.00 C ATOM 498 SG CYS A 38 15.696 -4.549 0.511 1.00 1.00 S ATOM 0 H CYS A 38 12.612 -6.641 0.845 1.00 1.00 H new ATOM 0 HA CYS A 38 12.123 -3.862 0.696 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.120 -2.798 0.939 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.174 -3.949 2.259 1.00 1.00 H new ATOM 503 N GLN A 39 12.531 -5.938 -1.111 1.00 1.00 N ATOM 504 CA GLN A 39 12.542 -6.540 -2.377 1.00 1.00 C ATOM 505 C GLN A 39 11.372 -7.482 -2.438 1.00 1.00 C ATOM 506 O GLN A 39 10.945 -7.931 -1.484 1.00 1.00 O ATOM 507 CB GLN A 39 13.956 -7.239 -2.529 1.00 1.00 C ATOM 508 CG GLN A 39 13.934 -8.739 -2.404 1.00 1.00 C ATOM 509 CD GLN A 39 13.153 -9.365 -3.571 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.687 -10.500 -3.474 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.983 -8.676 -4.678 1.00 1.00 N ATOM 0 H GLN A 39 11.975 -6.461 -0.434 1.00 1.00 H new ATOM 0 HA GLN A 39 12.427 -5.846 -3.210 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.374 -6.975 -3.501 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.629 -6.835 -1.773 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.954 -9.124 -2.393 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.475 -9.024 -1.457 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.369 -7.735 -4.758 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.465 -9.082 -5.457 1.00 1.00 H new ATOM 520 N GLY A 40 10.801 -7.694 -3.602 1.00 1.00 N ATOM 521 CA GLY A 40 9.613 -8.603 -3.687 1.00 1.00 C ATOM 522 C GLY A 40 8.274 -7.925 -4.090 1.00 1.00 C ATOM 523 O GLY A 40 8.107 -7.487 -5.224 1.00 1.00 O ATOM 0 H GLY A 40 11.102 -7.283 -4.486 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.832 -9.390 -4.408 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.478 -9.086 -2.719 1.00 1.00 H new ATOM 527 N THR A 41 7.270 -7.950 -3.127 1.00 1.00 N ATOM 528 CA THR A 41 5.858 -7.413 -3.432 1.00 1.00 C ATOM 529 C THR A 41 5.015 -6.855 -2.094 1.00 1.00 C ATOM 530 O THR A 41 5.091 -7.436 -1.052 1.00 1.00 O ATOM 531 CB THR A 41 5.087 -8.633 -4.058 1.00 1.00 C ATOM 532 OG1 THR A 41 4.370 -8.211 -5.221 1.00 1.00 O ATOM 533 CG2 THR A 41 4.123 -9.244 -3.067 1.00 1.00 C ATOM 0 H THR A 41 7.392 -8.313 -2.182 1.00 1.00 H new ATOM 0 HA THR A 41 5.942 -6.546 -4.087 1.00 1.00 H new ATOM 0 HB THR A 41 5.823 -9.389 -4.331 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.894 -8.976 -5.607 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.607 -10.084 -3.532 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.673 -9.594 -2.193 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.393 -8.495 -2.760 1.00 1.00 H new ATOM 541 N SER A 42 4.218 -5.808 -2.255 1.00 1.00 N ATOM 542 CA SER A 42 3.348 -5.293 -1.110 1.00 1.00 C ATOM 543 C SER A 42 2.027 -5.753 -1.331 1.00 1.00 C ATOM 544 O SER A 42 1.185 -5.004 -1.843 1.00 1.00 O ATOM 545 CB SER A 42 3.361 -3.663 -0.995 1.00 1.00 C ATOM 546 OG SER A 42 3.981 -3.112 -2.134 1.00 1.00 O ATOM 0 H SER A 42 4.128 -5.285 -3.126 1.00 1.00 H new ATOM 0 HA SER A 42 3.748 -5.671 -0.169 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.342 -3.287 -0.906 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.894 -3.356 -0.095 1.00 1.00 H new ATOM 0 HG SER A 42 3.846 -2.141 -2.143 1.00 1.00 H new ATOM 552 N ARG A 43 1.751 -7.025 -0.974 1.00 1.00 N ATOM 553 CA ARG A 43 0.435 -7.613 -1.160 1.00 1.00 C ATOM 554 C ARG A 43 -0.339 -7.021 -2.208 1.00 1.00 C ATOM 555 O ARG A 43 -1.319 -6.374 -1.947 1.00 1.00 O ATOM 556 CB ARG A 43 -0.344 -7.632 0.142 1.00 1.00 C ATOM 557 CG ARG A 43 -0.438 -6.124 0.855 1.00 1.00 C ATOM 558 CD ARG A 43 -1.867 -5.432 0.447 1.00 1.00 C ATOM 559 NE ARG A 43 -2.408 -4.722 1.598 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.730 -3.760 2.190 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.606 -3.351 1.687 1.00 1.00 N ATOM 562 NH2 ARG A 43 -2.205 -3.199 3.263 1.00 1.00 N ATOM 0 H ARG A 43 2.434 -7.656 -0.555 1.00 1.00 H new ATOM 0 HA ARG A 43 0.624 -8.637 -1.482 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.351 -8.004 -0.047 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.129 -8.329 0.834 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.358 -6.214 1.938 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.392 -5.499 0.525 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.725 -4.743 -0.385 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.570 -6.195 0.113 1.00 1.00 H new ATOM 0 HE ARG A 43 -3.330 -4.975 1.953 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -0.246 -3.774 0.832 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -0.083 -2.606 2.147 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -3.101 -3.504 3.644 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.682 -2.454 3.723 1.00 1.00 H new ATOM 576 N LYS A 44 0.032 -7.351 -3.486 1.00 1.00 N ATOM 577 CA LYS A 44 -0.752 -6.909 -4.607 1.00 1.00 C ATOM 578 C LYS A 44 -2.061 -7.184 -4.297 1.00 1.00 C ATOM 579 O LYS A 44 -2.403 -8.285 -4.331 1.00 1.00 O ATOM 580 CB LYS A 44 -0.373 -7.665 -5.901 1.00 1.00 C ATOM 581 CG LYS A 44 -1.357 -7.223 -7.028 1.00 1.00 C ATOM 582 CD LYS A 44 -0.797 -7.623 -8.430 1.00 1.00 C ATOM 583 CE LYS A 44 -1.971 -7.790 -9.425 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.451 -8.191 -10.771 1.00 1.00 N ATOM 0 H LYS A 44 0.852 -7.908 -3.726 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.579 -5.848 -4.786 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.655 -7.442 -6.185 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.434 -8.742 -5.744 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.330 -7.688 -6.872 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.509 -6.144 -6.984 1.00 1.00 H new ATOM 0 HD2 LYS A 44 -0.107 -6.859 -8.789 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.233 -8.553 -8.357 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.667 -8.544 -9.056 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -2.526 -6.855 -9.505 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -2.246 -8.301 -11.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.804 -7.458 -11.126 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -0.940 -9.094 -10.691 1.00 1.00 H new ATOM 598 N PRO A 45 -2.919 -6.169 -3.925 1.00 1.00 N ATOM 599 CA PRO A 45 -4.312 -6.443 -3.613 1.00 1.00 C ATOM 600 C PRO A 45 -4.832 -7.165 -4.748 1.00 1.00 C ATOM 601 O PRO A 45 -5.630 -6.673 -5.545 1.00 1.00 O ATOM 602 CB PRO A 45 -4.912 -5.078 -3.441 1.00 1.00 C ATOM 603 CG PRO A 45 -3.785 -4.277 -2.975 1.00 1.00 C ATOM 604 CD PRO A 45 -2.632 -4.759 -3.772 1.00 1.00 C ATOM 0 HA PRO A 45 -4.510 -7.042 -2.724 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -5.318 -4.696 -4.377 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.728 -5.085 -2.718 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.961 -3.213 -3.135 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.615 -4.415 -1.907 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.565 -4.252 -4.735 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.686 -4.592 -3.257 1.00 1.00 H new ATOM 612 N ASP A 46 -4.261 -8.331 -4.895 1.00 1.00 N ATOM 613 CA ASP A 46 -4.520 -9.144 -6.009 1.00 1.00 C ATOM 614 C ASP A 46 -5.877 -9.882 -5.854 1.00 1.00 C ATOM 615 O ASP A 46 -6.464 -9.866 -4.776 1.00 1.00 O ATOM 616 CB ASP A 46 -3.291 -10.229 -6.289 1.00 1.00 C ATOM 617 CG ASP A 46 -3.710 -11.669 -5.928 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.218 -11.865 -4.837 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.505 -12.548 -6.756 1.00 1.00 O ATOM 0 H ASP A 46 -3.600 -8.729 -4.228 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.579 -8.488 -6.877 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -3.000 -10.187 -7.339 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.416 -9.947 -5.704 1.00 1.00 H new ATOM 624 N PRO A 47 -6.377 -10.558 -6.908 1.00 1.00 N ATOM 625 CA PRO A 47 -7.658 -11.324 -6.813 1.00 1.00 C ATOM 626 C PRO A 47 -7.507 -12.565 -5.878 1.00 1.00 C ATOM 627 O PRO A 47 -7.501 -13.712 -6.329 1.00 1.00 O ATOM 628 CB PRO A 47 -7.970 -11.743 -8.296 1.00 1.00 C ATOM 629 CG PRO A 47 -7.007 -10.947 -9.146 1.00 1.00 C ATOM 630 CD PRO A 47 -5.796 -10.649 -8.263 1.00 1.00 C ATOM 0 HA PRO A 47 -8.466 -10.736 -6.377 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.829 -12.814 -8.440 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.004 -11.519 -8.559 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.713 -11.511 -10.031 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.469 -10.024 -9.495 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.047 -11.439 -8.327 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.305 -9.720 -8.553 1.00 1.00 H new ATOM 638 N GLY A 48 -7.398 -12.295 -4.590 1.00 1.00 N ATOM 639 CA GLY A 48 -7.261 -13.340 -3.582 1.00 1.00 C ATOM 640 C GLY A 48 -7.786 -12.795 -2.300 1.00 1.00 C ATOM 641 O GLY A 48 -8.911 -13.097 -1.901 1.00 1.00 O ATOM 0 H GLY A 48 -7.402 -11.348 -4.210 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -7.816 -14.231 -3.876 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.217 -13.635 -3.475 1.00 1.00 H new ATOM 645 N PRO A 49 -7.033 -11.922 -1.668 1.00 1.00 N ATOM 646 CA PRO A 49 -7.483 -11.270 -0.478 1.00 1.00 C ATOM 647 C PRO A 49 -8.762 -10.533 -0.772 1.00 1.00 C ATOM 648 O PRO A 49 -9.855 -11.007 -0.437 1.00 1.00 O ATOM 649 CB PRO A 49 -6.318 -10.270 -0.079 1.00 1.00 C ATOM 650 CG PRO A 49 -5.336 -10.280 -1.215 1.00 1.00 C ATOM 651 CD PRO A 49 -5.668 -11.505 -2.070 1.00 1.00 C ATOM 0 HA PRO A 49 -7.692 -11.965 0.335 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.709 -9.266 0.086 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.840 -10.583 0.849 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.414 -9.365 -1.802 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.313 -10.333 -0.842 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.630 -11.262 -3.132 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -4.949 -12.306 -1.901 1.00 1.00 H new ATOM 659 N LYS A 50 -8.618 -9.352 -1.375 1.00 1.00 N ATOM 660 CA LYS A 50 -9.743 -8.458 -1.713 1.00 1.00 C ATOM 661 C LYS A 50 -10.353 -7.861 -0.448 1.00 1.00 C ATOM 662 O LYS A 50 -11.577 -7.870 -0.294 1.00 1.00 O ATOM 663 CB LYS A 50 -10.878 -9.332 -2.512 1.00 1.00 C ATOM 664 CG LYS A 50 -10.944 -8.870 -4.100 1.00 1.00 C ATOM 665 CD LYS A 50 -11.830 -7.514 -4.283 1.00 1.00 C ATOM 666 CE LYS A 50 -11.152 -6.276 -3.556 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.735 -6.123 -4.034 1.00 1.00 N ATOM 0 H LYS A 50 -7.709 -8.979 -1.648 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.382 -7.641 -2.337 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.643 -10.394 -2.444 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.852 -9.190 -2.044 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.934 -8.701 -4.475 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.376 -9.673 -4.697 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.947 -7.295 -5.344 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.829 -7.673 -3.878 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.716 -5.367 -3.763 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.168 -6.422 -2.476 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.257 -5.389 -3.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.232 -7.026 -3.923 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.735 -5.847 -5.037 1.00 1.00 H new ATOM 681 N GLY A 51 -9.534 -7.406 0.535 1.00 1.00 N ATOM 682 CA GLY A 51 -10.027 -6.974 1.665 1.00 1.00 C ATOM 683 C GLY A 51 -9.052 -7.315 2.615 1.00 1.00 C ATOM 684 O GLY A 51 -8.405 -6.507 3.047 1.00 1.00 O ATOM 0 H GLY A 51 -8.517 -7.369 0.468 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -10.200 -5.898 1.639 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.984 -7.445 1.889 1.00 1.00 H new ATOM 688 N PRO A 52 -8.897 -8.605 2.927 1.00 1.00 N ATOM 689 CA PRO A 52 -7.850 -9.104 3.873 1.00 1.00 C ATOM 690 C PRO A 52 -6.478 -8.372 3.730 1.00 1.00 C ATOM 691 O PRO A 52 -5.487 -8.904 3.998 1.00 1.00 O ATOM 692 CB PRO A 52 -7.698 -10.558 3.497 1.00 1.00 C ATOM 693 CG PRO A 52 -9.052 -10.974 3.001 1.00 1.00 C ATOM 694 CD PRO A 52 -9.721 -9.692 2.432 1.00 1.00 C ATOM 0 HA PRO A 52 -8.148 -8.933 4.908 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -6.938 -10.689 2.727 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.390 -11.157 4.354 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -8.965 -11.741 2.232 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.649 -11.398 3.809 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.746 -9.707 1.342 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.752 -9.597 2.773 1.00 1.00 H new ATOM 702 N THR A 53 -6.512 -7.181 3.369 1.00 1.00 N ATOM 703 CA THR A 53 -5.351 -6.357 3.264 1.00 1.00 C ATOM 704 C THR A 53 -5.850 -5.014 3.520 1.00 1.00 C ATOM 705 O THR A 53 -7.037 -4.798 3.397 1.00 1.00 O ATOM 706 CB THR A 53 -4.619 -6.460 1.934 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.653 -5.217 1.280 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.241 -7.513 1.040 1.00 1.00 C ATOM 0 H THR A 53 -7.376 -6.701 3.119 1.00 1.00 H new ATOM 0 HA THR A 53 -4.585 -6.672 3.973 1.00 1.00 H new ATOM 0 HB THR A 53 -3.588 -6.750 2.138 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.494 -5.347 0.322 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.694 -7.560 0.098 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.196 -8.483 1.535 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.281 -7.254 0.842 1.00 1.00 H new ATOM 716 N TYR A 54 -5.073 -4.137 3.890 1.00 1.00 N ATOM 717 CA TYR A 54 -5.616 -2.782 4.240 1.00 1.00 C ATOM 718 C TYR A 54 -4.619 -1.951 5.050 1.00 1.00 C ATOM 719 O TYR A 54 -4.092 -2.437 6.045 1.00 1.00 O ATOM 720 CB TYR A 54 -6.923 -3.010 5.166 1.00 1.00 C ATOM 721 CG TYR A 54 -6.977 -2.004 6.419 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.190 -2.252 7.576 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.790 -0.855 6.376 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.224 -1.354 8.660 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.818 0.035 7.473 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.034 -0.216 8.606 1.00 1.00 C ATOM 727 OH TYR A 54 -7.059 0.665 9.676 1.00 1.00 O ATOM 0 H TYR A 54 -4.063 -4.246 3.985 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.835 -2.249 3.315 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.820 -2.879 4.561 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.931 -4.038 5.529 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.564 -3.131 7.624 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.393 -0.654 5.503 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.622 -1.545 9.536 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.447 0.913 7.438 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.672 1.404 9.477 1.00 1.00 H new ATOM 737 N CYS A 55 -4.338 -0.600 4.618 1.00 1.00 N ATOM 738 CA CYS A 55 -3.326 0.269 5.507 1.00 1.00 C ATOM 739 C CYS A 55 -3.737 1.714 5.869 1.00 1.00 C ATOM 740 O CYS A 55 -3.505 2.229 6.966 1.00 1.00 O ATOM 741 CB CYS A 55 -1.962 0.342 4.859 1.00 1.00 C ATOM 742 SG CYS A 55 -0.737 0.559 6.222 1.00 1.00 S ATOM 0 H CYS A 55 -4.725 -0.141 3.794 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.332 -0.284 6.446 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.754 -0.566 4.293 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.911 1.174 4.157 1.00 1.00 H new ATOM 747 N TRP A 56 -4.316 2.277 4.913 1.00 1.00 N ATOM 748 CA TRP A 56 -4.798 3.542 4.886 1.00 1.00 C ATOM 749 C TRP A 56 -6.337 3.563 4.972 1.00 1.00 C ATOM 750 O TRP A 56 -6.916 2.898 5.834 1.00 1.00 O ATOM 751 CB TRP A 56 -4.401 4.113 3.538 1.00 1.00 C ATOM 752 CG TRP A 56 -4.681 5.591 3.531 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.131 6.215 2.501 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.536 6.634 4.640 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.268 7.501 2.781 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.921 7.813 4.123 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.092 6.629 6.034 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.915 9.021 4.892 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.086 7.819 6.783 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.500 9.002 6.208 1.00 1.00 C ATOM 0 H TRP A 56 -4.475 1.790 4.031 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.403 4.107 5.730 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.344 3.929 3.348 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -4.958 3.620 2.741 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.362 5.758 1.550 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.589 8.195 2.105 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.767 5.706 6.490 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.236 9.949 4.441 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.756 7.806 7.811 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.499 9.913 6.787 1.00 1.00 H new ATOM 771 N ASP A 57 -7.055 4.296 3.903 1.00 1.00 N ATOM 772 CA ASP A 57 -8.455 4.302 3.787 1.00 1.00 C ATOM 773 C ASP A 57 -8.975 5.561 3.000 1.00 1.00 C ATOM 774 O ASP A 57 -10.157 5.859 3.078 1.00 1.00 O ATOM 775 CB ASP A 57 -9.088 4.274 5.149 1.00 1.00 C ATOM 776 CG ASP A 57 -9.521 2.852 5.533 1.00 1.00 C ATOM 777 OD1 ASP A 57 -8.974 1.917 4.972 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.388 2.726 6.377 1.00 1.00 O ATOM 0 H ASP A 57 -6.581 4.842 3.184 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.736 3.410 3.226 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.383 4.654 5.888 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.953 4.937 5.164 1.00 1.00 H new ATOM 783 N GLU A 58 -8.085 6.322 2.298 1.00 1.00 N ATOM 784 CA GLU A 58 -8.528 7.492 1.669 1.00 1.00 C ATOM 785 C GLU A 58 -7.435 8.197 1.097 1.00 1.00 C ATOM 786 O GLU A 58 -7.016 9.155 1.699 1.00 1.00 O ATOM 787 CB GLU A 58 -9.110 8.408 2.815 1.00 1.00 C ATOM 788 CG GLU A 58 -8.088 8.407 3.980 1.00 1.00 C ATOM 789 CD GLU A 58 -8.696 9.064 5.214 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.336 10.092 5.061 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.520 8.524 6.296 1.00 1.00 O ATOM 0 H GLU A 58 -7.094 6.111 2.185 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.251 7.249 0.890 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.273 9.422 2.449 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.076 8.032 3.153 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.791 7.384 4.212 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.185 8.941 3.682 1.00 1.00 H new ATOM 798 N ALA A 59 -6.874 7.886 -0.082 1.00 1.00 N ATOM 799 CA ALA A 59 -5.787 8.780 -0.558 1.00 1.00 C ATOM 800 C ALA A 59 -5.956 9.078 -2.114 1.00 1.00 C ATOM 801 O ALA A 59 -5.022 9.387 -2.744 1.00 1.00 O ATOM 802 CB ALA A 59 -4.589 8.065 -0.407 1.00 1.00 C ATOM 0 H ALA A 59 -7.119 7.099 -0.683 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.803 9.717 -0.002 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.754 8.679 -0.744 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.449 7.807 0.643 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.632 7.153 -1.002 1.00 1.00 H new ATOM 808 N LYS A 60 -7.175 8.704 -2.741 1.00 1.00 N ATOM 809 CA LYS A 60 -7.268 8.694 -4.117 1.00 1.00 C ATOM 810 C LYS A 60 -7.120 9.964 -4.713 1.00 1.00 C ATOM 811 O LYS A 60 -6.459 10.162 -5.672 1.00 1.00 O ATOM 812 CB LYS A 60 -8.695 8.095 -4.551 1.00 1.00 C ATOM 813 CG LYS A 60 -9.176 7.134 -3.446 1.00 1.00 C ATOM 814 CD LYS A 60 -10.314 6.176 -3.964 1.00 1.00 C ATOM 815 CE LYS A 60 -11.698 6.932 -3.955 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.375 6.692 -2.651 1.00 1.00 N ATOM 0 H LYS A 60 -8.024 8.430 -2.246 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.442 8.076 -4.469 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.416 8.900 -4.694 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.612 7.568 -5.502 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.335 6.540 -3.088 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.543 7.710 -2.597 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.083 5.835 -4.973 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.370 5.289 -3.333 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.544 8.000 -4.108 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.324 6.580 -4.775 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.289 7.188 -2.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.533 5.672 -2.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.777 7.048 -1.878 1.00 1.00 H new ATOM 830 N ASN A 61 -8.018 10.834 -4.188 1.00 1.00 N ATOM 831 CA ASN A 61 -8.210 12.117 -4.787 1.00 1.00 C ATOM 832 C ASN A 61 -6.962 12.740 -5.096 1.00 1.00 C ATOM 833 O ASN A 61 -5.940 12.449 -4.479 1.00 1.00 O ATOM 834 CB ASN A 61 -9.170 13.085 -3.993 1.00 1.00 C ATOM 835 CG ASN A 61 -10.419 13.456 -4.830 1.00 1.00 C ATOM 836 OD1 ASN A 61 -10.657 14.628 -5.108 1.00 1.00 O ATOM 837 ND2 ASN A 61 -11.216 12.505 -5.246 1.00 1.00 N ATOM 0 H ASN A 61 -8.595 10.649 -3.368 1.00 1.00 H new ATOM 0 HA ASN A 61 -8.737 11.917 -5.720 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -9.482 12.608 -3.064 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -8.630 13.992 -3.721 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -12.038 12.736 -5.803 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -11.015 11.533 -5.013 1.00 1.00 H new ATOM 844 N PRO A 62 -6.953 13.565 -6.103 1.00 1.00 N ATOM 845 CA PRO A 62 -5.782 14.182 -6.560 1.00 1.00 C ATOM 846 C PRO A 62 -5.433 15.436 -5.873 1.00 1.00 C ATOM 847 O PRO A 62 -4.496 16.101 -6.313 1.00 1.00 O ATOM 848 CB PRO A 62 -6.106 14.453 -8.093 1.00 1.00 C ATOM 849 CG PRO A 62 -7.489 13.945 -8.279 1.00 1.00 C ATOM 850 CD PRO A 62 -8.082 14.010 -6.933 1.00 1.00 C ATOM 0 HA PRO A 62 -4.912 13.552 -6.375 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -6.038 15.515 -8.331 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -5.402 13.935 -8.745 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -8.046 14.556 -8.989 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -7.490 12.926 -8.666 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -8.410 15.017 -6.676 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -8.949 13.357 -6.833 1.00 1.00 H new ATOM 858 N GLY A 63 -6.125 15.860 -4.805 1.00 1.00 N ATOM 859 CA GLY A 63 -5.767 17.093 -4.181 1.00 1.00 C ATOM 860 C GLY A 63 -6.610 17.218 -2.888 1.00 1.00 C ATOM 861 O GLY A 63 -7.316 18.204 -2.689 1.00 1.00 O ATOM 0 H GLY A 63 -6.911 15.366 -4.382 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -4.702 17.111 -3.948 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -5.961 17.932 -4.849 1.00 1.00 H new ATOM 865 N GLY A 64 -6.523 16.151 -2.003 1.00 1.00 N ATOM 866 CA GLY A 64 -7.289 16.144 -0.747 1.00 1.00 C ATOM 867 C GLY A 64 -6.929 14.952 0.196 1.00 1.00 C ATOM 868 O GLY A 64 -6.233 15.159 1.188 1.00 1.00 O ATOM 0 H GLY A 64 -5.943 15.325 -2.154 1.00 1.00 H new ATOM 0 HA2 GLY A 64 -7.113 17.081 -0.218 1.00 1.00 H new ATOM 0 HA3 GLY A 64 -8.353 16.104 -0.980 1.00 1.00 H new ATOM 872 N PRO A 65 -7.389 13.703 -0.073 1.00 1.00 N ATOM 873 CA PRO A 65 -7.081 12.596 0.786 1.00 1.00 C ATOM 874 C PRO A 65 -5.629 12.405 0.849 1.00 1.00 C ATOM 875 O PRO A 65 -4.909 13.211 0.388 1.00 1.00 O ATOM 876 CB PRO A 65 -7.844 11.373 0.155 1.00 1.00 C ATOM 877 CG PRO A 65 -8.860 12.014 -0.627 1.00 1.00 C ATOM 878 CD PRO A 65 -8.167 13.288 -1.153 1.00 1.00 C ATOM 0 HA PRO A 65 -7.395 12.743 1.819 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.187 10.757 -0.459 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.269 10.722 0.919 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.199 11.376 -1.443 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.737 12.254 -0.025 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.556 13.079 -2.031 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.892 14.049 -1.442 1.00 1.00 H new ATOM 886 N ASN A 66 -5.206 11.441 1.516 1.00 1.00 N ATOM 887 CA ASN A 66 -3.692 11.274 1.713 1.00 1.00 C ATOM 888 C ASN A 66 -2.959 11.512 0.426 1.00 1.00 C ATOM 889 O ASN A 66 -1.769 11.781 0.418 1.00 1.00 O ATOM 890 CB ASN A 66 -3.306 9.880 2.262 1.00 1.00 C ATOM 891 CG ASN A 66 -2.383 10.004 3.513 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.374 9.126 4.372 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.601 11.051 3.634 1.00 1.00 N ATOM 0 H ASN A 66 -5.789 10.730 1.957 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.401 12.018 2.454 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.208 9.327 2.525 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.797 9.309 1.486 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -0.985 11.136 4.442 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.610 11.779 2.920 1.00 1.00 H new ATOM 900 N ARG A 67 -3.739 11.393 -0.657 1.00 1.00 N ATOM 901 CA ARG A 67 -3.292 11.589 -2.032 1.00 1.00 C ATOM 902 C ARG A 67 -2.519 10.439 -2.561 1.00 1.00 C ATOM 903 O ARG A 67 -1.461 10.113 -2.077 1.00 1.00 O ATOM 904 CB ARG A 67 -2.449 12.875 -2.147 1.00 1.00 C ATOM 905 CG ARG A 67 -3.372 14.080 -2.096 1.00 1.00 C ATOM 906 CD ARG A 67 -3.782 14.468 -3.496 1.00 1.00 C ATOM 907 NE ARG A 67 -2.735 15.374 -4.121 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.322 16.556 -3.524 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.910 17.001 -2.440 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.364 17.253 -4.061 1.00 1.00 N ATOM 0 H ARG A 67 -4.728 11.150 -0.592 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.194 11.679 -2.637 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.723 12.923 -1.335 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -1.885 12.873 -3.080 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.254 13.849 -1.499 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -2.868 14.915 -1.610 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -3.909 13.574 -4.106 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.745 14.977 -3.472 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.320 15.103 -5.013 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.681 16.477 -2.026 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.597 17.872 -2.011 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -0.918 16.930 -4.920 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -1.059 18.122 -3.624 1.00 1.00 H new ATOM 924 N CYS A 68 -3.015 9.916 -3.597 1.00 1.00 N ATOM 925 CA CYS A 68 -2.398 8.873 -4.321 1.00 1.00 C ATOM 926 C CYS A 68 -3.000 8.925 -5.549 1.00 1.00 C ATOM 927 O CYS A 68 -2.562 9.686 -6.414 1.00 1.00 O ATOM 928 CB CYS A 68 -2.469 7.439 -3.560 1.00 1.00 C ATOM 929 SG CYS A 68 -4.123 6.707 -3.322 1.00 1.00 S ATOM 0 H CYS A 68 -3.908 10.211 -3.993 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.320 8.997 -4.419 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -1.862 6.728 -4.120 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.005 7.552 -2.580 1.00 1.00 H new ATOM 934 N SER A 69 -3.956 8.202 -5.703 1.00 1.00 N ATOM 935 CA SER A 69 -4.701 8.163 -6.891 1.00 1.00 C ATOM 936 C SER A 69 -4.155 7.178 -7.851 1.00 1.00 C ATOM 937 O SER A 69 -4.890 6.647 -8.685 1.00 1.00 O ATOM 938 CB SER A 69 -4.779 9.577 -7.621 1.00 1.00 C ATOM 939 OG SER A 69 -3.753 9.649 -8.610 1.00 1.00 O ATOM 0 H SER A 69 -4.296 7.564 -4.983 1.00 1.00 H new ATOM 0 HA SER A 69 -5.705 7.869 -6.584 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.757 9.708 -8.084 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.659 10.382 -6.896 1.00 1.00 H new ATOM 0 HG SER A 69 -2.876 9.604 -8.175 1.00 1.00 H new ATOM 945 N ASN A 70 -2.815 7.019 -7.850 1.00 1.00 N ATOM 946 CA ASN A 70 -2.159 6.186 -8.865 1.00 1.00 C ATOM 947 C ASN A 70 -1.582 5.019 -8.336 1.00 1.00 C ATOM 948 O ASN A 70 -1.622 3.983 -8.974 1.00 1.00 O ATOM 949 CB ASN A 70 -1.070 7.025 -9.547 1.00 1.00 C ATOM 950 CG ASN A 70 -1.628 8.400 -9.888 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.339 9.377 -9.195 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.418 8.535 -10.914 1.00 1.00 N ATOM 0 H ASN A 70 -2.184 7.447 -7.173 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.923 5.864 -9.573 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.207 7.124 -8.889 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.725 6.526 -10.453 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.800 9.452 -11.146 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.655 7.724 -11.485 1.00 1.00 H new ATOM 959 N SER A 71 -1.046 5.124 -7.143 1.00 1.00 N ATOM 960 CA SER A 71 -0.414 3.915 -6.461 1.00 1.00 C ATOM 961 C SER A 71 0.675 4.265 -5.286 1.00 1.00 C ATOM 962 O SER A 71 1.740 3.664 -5.253 1.00 1.00 O ATOM 963 CB SER A 71 0.282 3.043 -7.558 1.00 1.00 C ATOM 964 OG SER A 71 1.425 2.375 -7.042 1.00 1.00 O ATOM 0 H SER A 71 -1.012 5.987 -6.601 1.00 1.00 H new ATOM 0 HA SER A 71 -1.226 3.391 -5.957 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.426 2.310 -7.945 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.576 3.676 -8.396 1.00 1.00 H new ATOM 0 HG SER A 71 2.058 3.035 -6.690 1.00 1.00 H new ATOM 970 N LYS A 72 0.461 5.331 -4.452 1.00 1.00 N ATOM 971 CA LYS A 72 1.574 5.752 -3.491 1.00 1.00 C ATOM 972 C LYS A 72 1.190 6.234 -2.210 1.00 1.00 C ATOM 973 O LYS A 72 1.828 7.117 -1.654 1.00 1.00 O ATOM 974 CB LYS A 72 2.273 7.055 -4.218 1.00 1.00 C ATOM 975 CG LYS A 72 1.260 8.231 -4.404 1.00 1.00 C ATOM 976 CD LYS A 72 1.939 9.595 -4.021 1.00 1.00 C ATOM 977 CE LYS A 72 0.972 10.763 -4.307 1.00 1.00 C ATOM 978 NZ LYS A 72 1.684 12.061 -4.104 1.00 1.00 N ATOM 0 H LYS A 72 -0.394 5.886 -4.410 1.00 1.00 H new ATOM 0 HA LYS A 72 2.173 4.859 -3.315 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.118 7.395 -3.619 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.669 6.760 -5.190 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.916 8.265 -5.438 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.381 8.066 -3.781 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.215 9.590 -2.967 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.859 9.726 -4.591 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.598 10.697 -5.329 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.107 10.703 -3.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 1.032 12.848 -4.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 2.020 12.123 -3.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.496 12.117 -4.752 1.00 1.00 H new ATOM 992 N GLN A 73 0.219 5.818 -1.813 1.00 1.00 N ATOM 993 CA GLN A 73 -0.393 6.299 -0.582 1.00 1.00 C ATOM 994 C GLN A 73 -1.859 5.814 -0.554 1.00 1.00 C ATOM 995 O GLN A 73 -2.661 6.519 -0.145 1.00 1.00 O ATOM 996 CB GLN A 73 -0.470 8.005 -0.634 1.00 1.00 C ATOM 997 CG GLN A 73 0.260 8.662 0.509 1.00 1.00 C ATOM 998 CD GLN A 73 -0.195 8.063 1.843 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.099 7.227 1.874 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.367 8.454 2.947 1.00 1.00 N ATOM 0 H GLN A 73 -0.308 5.078 -2.277 1.00 1.00 H new ATOM 0 HA GLN A 73 0.181 5.945 0.275 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.047 8.354 -1.576 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.514 8.317 -0.618 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.335 8.526 0.389 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.071 9.736 0.501 1.00 1.00 H new ATOM 0 HE21 GLN A 73 1.116 9.146 2.921 1.00 1.00 H new ATOM 0 HE22 GLN A 73 0.060 8.069 3.840 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.172 4.575 -0.926 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.684 4.109 -0.831 1.00 1.00 C ATOM 1011 C CYS A 74 -3.751 3.145 0.304 1.00 1.00 C ATOM 1012 O CYS A 74 -3.059 3.420 1.246 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.109 3.591 -2.241 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.638 4.782 -3.640 1.00 1.00 S ATOM 0 H CYS A 74 -1.514 3.878 -1.276 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.410 4.889 -0.601 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.642 2.623 -2.422 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.187 3.432 -2.254 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.643 1.963 0.363 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.625 1.145 1.718 1.00 1.00 C ATOM 1021 C ASP A 75 -4.089 -0.233 1.512 1.00 1.00 C ATOM 1022 O ASP A 75 -2.899 -0.501 1.677 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.168 1.258 2.277 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.742 -0.013 2.720 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -7.122 -0.803 1.871 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.844 -0.193 3.889 1.00 1.00 O ATOM 0 H ASP A 75 -5.262 1.626 -0.375 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.943 1.535 2.474 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.190 1.963 3.108 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.798 1.673 1.490 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.928 -1.036 1.171 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.668 -2.399 0.908 1.00 1.00 C ATOM 1033 C GLY A 76 -5.630 -2.823 -0.134 1.00 1.00 C ATOM 1034 O GLY A 76 -5.810 -2.116 -1.053 1.00 1.00 O ATOM 0 H GLY A 76 -5.908 -0.784 1.045 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.642 -2.538 0.567 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.788 -2.997 1.811 1.00 1.00 H new ATOM 1038 N ALA A 77 -6.233 -4.013 0.055 1.00 1.00 N ATOM 1039 CA ALA A 77 -7.234 -4.640 -0.863 1.00 1.00 C ATOM 1040 C ALA A 77 -7.821 -3.718 -1.938 1.00 1.00 C ATOM 1041 O ALA A 77 -8.995 -3.872 -2.285 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.353 -5.084 -0.044 1.00 1.00 C ATOM 0 H ALA A 77 -6.038 -4.591 0.873 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.700 -5.432 -1.389 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -9.107 -5.548 -0.679 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -8.001 -5.808 0.691 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.789 -4.228 0.471 1.00 1.00 H new ATOM 1048 N ARG A 78 -7.071 -2.709 -2.412 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.571 -1.762 -3.331 1.00 1.00 C ATOM 1050 C ARG A 78 -6.759 -1.799 -4.566 1.00 1.00 C ATOM 1051 O ARG A 78 -5.740 -2.454 -4.589 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.497 -0.470 -2.709 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.372 -0.479 -1.443 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.520 0.914 -0.969 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.462 1.650 -1.825 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.781 1.614 -1.600 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.257 0.907 -0.609 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.596 2.290 -2.371 1.00 1.00 N ATOM 0 H ARG A 78 -6.098 -2.556 -2.146 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.604 -1.982 -3.600 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.464 -0.233 -2.453 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.839 0.301 -3.399 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.349 -0.912 -1.660 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.914 -1.096 -0.670 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.876 0.918 0.061 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.550 1.411 -0.973 1.00 1.00 H new ATOM 0 HE ARG A 78 -9.103 2.199 -2.606 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.623 0.382 -0.006 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.262 0.880 -0.438 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -11.226 2.844 -3.143 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.601 2.262 -2.199 1.00 1.00 H new ATOM 1072 N THR A 79 -7.188 -1.099 -5.661 1.00 1.00 N ATOM 1073 CA THR A 79 -6.418 -1.159 -6.833 1.00 1.00 C ATOM 1074 C THR A 79 -6.468 0.010 -7.588 1.00 1.00 C ATOM 1075 O THR A 79 -7.035 0.026 -8.624 1.00 1.00 O ATOM 1076 CB THR A 79 -6.755 -2.391 -7.640 1.00 1.00 C ATOM 1077 OG1 THR A 79 -7.003 -3.486 -6.757 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.557 -2.716 -8.538 1.00 1.00 C ATOM 0 H THR A 79 -8.031 -0.526 -5.708 1.00 1.00 H new ATOM 0 HA THR A 79 -5.377 -1.245 -6.522 1.00 1.00 H new ATOM 0 HB THR A 79 -7.644 -2.216 -8.246 1.00 1.00 H new ATOM 0 HG1 THR A 79 -7.223 -4.285 -7.280 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.777 -3.603 -9.131 1.00 1.00 H new ATOM 0 HG22 THR A 79 -5.362 -1.874 -9.203 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.679 -2.902 -7.920 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.694 1.047 -7.044 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.466 2.305 -7.660 1.00 1.00 C ATOM 1088 C CYS A 80 -6.000 2.505 -8.951 1.00 1.00 C ATOM 1089 O CYS A 80 -5.364 3.101 -9.829 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.947 2.607 -7.636 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.643 4.149 -6.448 1.00 1.00 S ATOM 0 H CYS A 80 -5.230 0.961 -6.140 1.00 1.00 H new ATOM 0 HA CYS A 80 -6.036 3.014 -7.060 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.393 1.738 -7.281 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.587 2.825 -8.641 1.00 1.00 H new ATOM 1096 N SER A 81 -7.087 2.023 -9.133 1.00 1.00 N ATOM 1097 CA SER A 81 -7.756 2.079 -10.316 1.00 1.00 C ATOM 1098 C SER A 81 -7.314 0.959 -11.094 1.00 1.00 C ATOM 1099 O SER A 81 -8.058 0.387 -11.879 1.00 1.00 O ATOM 1100 CB SER A 81 -7.670 3.456 -10.961 1.00 1.00 C ATOM 1101 OG SER A 81 -6.821 3.424 -12.101 1.00 1.00 O ATOM 0 H SER A 81 -7.599 1.527 -8.403 1.00 1.00 H new ATOM 0 HA SER A 81 -8.834 1.976 -10.195 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.666 3.790 -11.252 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.290 4.179 -10.239 1.00 1.00 H new ATOM 0 HG SER A 81 -5.893 3.293 -11.814 1.00 1.00 H new ATOM 1107 N SER A 82 -6.142 0.507 -10.709 1.00 1.00 N ATOM 1108 CA SER A 82 -5.610 -0.733 -11.191 1.00 1.00 C ATOM 1109 C SER A 82 -4.072 -1.073 -10.824 1.00 1.00 C ATOM 1110 O SER A 82 -3.542 -2.053 -11.353 1.00 1.00 O ATOM 1111 CB SER A 82 -5.889 -0.933 -12.594 1.00 1.00 C ATOM 1112 OG SER A 82 -4.923 -1.797 -13.186 1.00 1.00 O ATOM 0 H SER A 82 -5.535 0.995 -10.051 1.00 1.00 H new ATOM 0 HA SER A 82 -6.162 -1.471 -10.608 1.00 1.00 H new ATOM 0 HB2 SER A 82 -6.885 -1.359 -12.714 1.00 1.00 H new ATOM 0 HB3 SER A 82 -5.888 0.027 -13.110 1.00 1.00 H new ATOM 0 HG SER A 82 -4.564 -2.403 -12.504 1.00 1.00 H new ATOM 1118 N SER A 83 -3.349 -0.268 -9.889 1.00 1.00 N ATOM 1119 CA SER A 83 -1.935 -0.620 -9.554 1.00 1.00 C ATOM 1120 C SER A 83 -1.846 -1.046 -8.106 1.00 1.00 C ATOM 1121 O SER A 83 -0.768 -1.154 -7.527 1.00 1.00 O ATOM 1122 CB SER A 83 -0.954 0.505 -9.911 1.00 1.00 C ATOM 1123 OG SER A 83 -0.549 0.362 -11.273 1.00 1.00 O ATOM 0 H SER A 83 -3.721 0.553 -9.412 1.00 1.00 H new ATOM 0 HA SER A 83 -1.630 -1.465 -10.171 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.425 1.476 -9.760 1.00 1.00 H new ATOM 0 HB3 SER A 83 -0.084 0.467 -9.255 1.00 1.00 H new ATOM 0 HG SER A 83 0.076 1.080 -11.505 1.00 1.00 H new ATOM 1129 N GLY A 84 -2.994 -1.433 -7.596 1.00 1.00 N ATOM 1130 CA GLY A 84 -3.063 -2.026 -6.286 1.00 1.00 C ATOM 1131 C GLY A 84 -2.991 -1.146 -5.286 1.00 1.00 C ATOM 1132 O GLY A 84 -2.405 -1.477 -4.236 1.00 1.00 O ATOM 0 H GLY A 84 -3.892 -1.346 -8.072 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -3.996 -2.583 -6.199 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.251 -2.746 -6.181 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.599 0.052 -5.412 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.576 0.896 -4.396 1.00 1.00 C ATOM 1138 C PHE A 85 -4.946 1.501 -4.342 1.00 1.00 C ATOM 1139 O PHE A 85 -5.656 1.108 -3.575 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.392 1.827 -4.572 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.160 1.421 -3.645 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.320 1.018 -2.272 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.109 1.454 -4.195 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.199 0.667 -1.520 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.228 1.098 -3.429 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.074 0.706 -2.095 1.00 1.00 C ATOM 0 H PHE A 85 -4.090 0.378 -6.244 1.00 1.00 H new ATOM 0 HA PHE A 85 -3.401 0.458 -3.413 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.077 1.818 -5.616 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.697 2.847 -4.340 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.303 0.988 -1.827 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.239 1.757 -5.224 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.315 0.364 -0.490 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.213 1.127 -3.871 1.00 1.00 H new ATOM 0 HZ PHE A 85 1.939 0.433 -1.509 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.301 2.512 -5.099 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.775 3.142 -4.905 1.00 1.00 C ATOM 1158 C CYS A 86 -7.875 2.962 -5.950 1.00 1.00 C ATOM 1159 O CYS A 86 -7.849 3.471 -7.073 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.644 4.531 -4.629 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.547 5.286 -6.105 1.00 1.00 S ATOM 0 H CYS A 86 -4.721 2.949 -5.816 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.154 2.519 -4.094 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.621 5.013 -4.584 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.163 4.693 -3.664 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.962 2.183 -5.437 1.00 1.00 N ATOM 1167 CA GLN A 87 -10.116 1.886 -6.175 1.00 1.00 C ATOM 1168 C GLN A 87 -10.901 0.639 -5.593 1.00 1.00 C ATOM 1169 O GLN A 87 -12.132 0.602 -5.634 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.692 1.652 -7.619 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.536 0.570 -8.283 1.00 1.00 C ATOM 1172 CD GLN A 87 -10.113 -0.817 -7.781 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -9.080 -0.945 -7.162 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.876 -1.845 -8.003 1.00 1.00 N ATOM 0 H GLN A 87 -8.968 1.791 -4.496 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.812 2.723 -6.113 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.783 2.582 -8.181 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.641 1.364 -7.648 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.591 0.737 -8.065 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.422 0.623 -9.366 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.745 -1.732 -8.525 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.606 -2.765 -7.655 1.00 1.00 H new ATOM 1183 N GLY A 88 -10.183 -0.352 -5.153 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.833 -1.607 -4.667 1.00 1.00 C ATOM 1185 C GLY A 88 -11.631 -1.459 -3.352 1.00 1.00 C ATOM 1186 O GLY A 88 -12.635 -0.750 -3.309 1.00 1.00 O ATOM 0 H GLY A 88 -9.164 -0.351 -5.107 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.504 -1.975 -5.443 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -10.064 -2.366 -4.525 1.00 1.00 H new ATOM 1190 N THR A 89 -11.235 -2.258 -2.291 1.00 1.00 N ATOM 1191 CA THR A 89 -12.020 -2.302 -1.016 1.00 1.00 C ATOM 1192 C THR A 89 -11.285 -1.945 0.288 1.00 1.00 C ATOM 1193 O THR A 89 -11.665 -0.992 0.967 1.00 1.00 O ATOM 1194 CB THR A 89 -12.596 -3.791 -0.912 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.873 -3.832 -1.545 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.758 -4.274 0.595 1.00 1.00 C ATOM 0 H THR A 89 -10.408 -2.854 -2.301 1.00 1.00 H new ATOM 0 HA THR A 89 -12.773 -1.517 -1.088 1.00 1.00 H new ATOM 0 HB THR A 89 -11.886 -4.458 -1.401 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.237 -4.740 -1.490 1.00 1.00 H new ATOM 0 HG21 THR A 89 -13.152 -5.290 0.611 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.787 -4.253 1.090 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.446 -3.610 1.118 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.403 -2.789 0.676 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.742 -2.701 1.985 1.00 1.00 C ATOM 1206 C ALA A 90 -10.516 -3.660 2.930 1.00 1.00 C ATOM 1207 O ALA A 90 -11.697 -3.487 3.226 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.708 -1.306 2.587 1.00 1.00 C ATOM 0 H ALA A 90 -10.095 -3.580 0.110 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.694 -2.973 1.856 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -9.202 -1.338 3.552 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -9.171 -0.634 1.918 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.727 -0.944 2.724 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.779 -4.570 3.415 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.297 -5.636 4.493 1.00 1.00 C ATOM 1216 C GLY A 91 -9.079 -6.331 5.556 1.00 1.00 C ATOM 1217 O GLY A 91 -9.441 -6.918 6.570 1.00 1.00 O ATOM 0 H GLY A 91 -8.800 -4.692 3.156 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -11.055 -5.155 5.111 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.789 -6.449 3.960 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.688 -6.146 5.256 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.471 -6.678 6.220 1.00 1.00 C ATOM 1223 C HIS A 92 -6.433 -8.185 6.525 1.00 1.00 C ATOM 1224 O HIS A 92 -7.430 -8.708 7.032 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.598 -5.974 7.672 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.525 -6.761 8.651 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.863 -6.428 8.843 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.288 -7.836 9.475 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.370 -7.292 9.750 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.451 -8.168 10.165 1.00 1.00 N ATOM 0 H HIS A 92 -7.361 -5.668 4.417 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.577 -6.430 5.649 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.606 -5.883 8.114 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.985 -4.963 7.547 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.368 -5.671 8.383 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.341 -8.347 9.572 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.393 -7.276 10.097 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.362 -8.915 6.240 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.393 -10.440 6.576 1.00 1.00 C ATOM 1241 C ALA A 93 -4.727 -10.688 7.914 1.00 1.00 C ATOM 1242 O ALA A 93 -3.507 -10.708 8.018 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.657 -11.346 5.446 1.00 1.00 C ATOM 0 H ALA A 93 -4.503 -8.569 5.814 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.442 -10.733 6.608 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.709 -12.397 5.731 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.154 -11.206 4.486 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.613 -11.044 5.361 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.543 -10.884 8.937 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.030 -11.139 10.269 1.00 1.00 C ATOM 1251 C ALA A 94 -4.234 -12.447 10.283 1.00 1.00 C ATOM 1252 O ALA A 94 -4.836 -13.481 10.520 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.215 -11.237 11.279 1.00 1.00 C ATOM 0 H ALA A 94 -6.561 -10.871 8.869 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.373 -10.319 10.559 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.826 -11.429 12.279 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.771 -10.300 11.280 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.877 -12.051 10.985 1.00 1.00 H new TER 1259 ALA A 94