USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 774 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 81 LYS NZ :NH3+ 147:sc= -6.41! (180deg=-5.12!) USER MOD Set 1.2: A 93 TYR OH : rot 79:sc= -8.34! USER MOD Set 1.3: A 94 HIS : no HD1:sc= -38.3! C(o=-53!,f=-44!) USER MOD Set 2.1: A 39 SER OG : rot 169:sc= 0 USER MOD Set 2.2: A 46 THR OG1 : rot 65:sc= -3.13! USER MOD Set 2.3: A 65 HIS : no HE2:sc= -20! C(o=-23!,f=-35!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -122:sc= -6.59! (180deg=-5.33!) USER MOD Set 3.2: A 64 TYR OH : rot -119:sc= -10.4! USER MOD Set 4.1: A 13 ASN : amide:sc= -12.4! C(o=-46!,f=-41!) USER MOD Set 4.2: A 35 MET CE :methyl -162:sc= -33.4! (180deg=-33.4!) USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.197 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.868 USER MOD Single : A 12 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0126) USER MOD Single : A 15 SER OG : rot -41:sc= 0.247 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -132:sc= -2.53! (180deg=-4.06!) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -3.82! (180deg=-5.03!) USER MOD Single : A 28 THR OG1 : rot 88:sc= -4.64! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 56:sc= -9.39! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -157:sc= -13.6! USER MOD Single : A 51 THR OG1 : rot -140:sc= -0.129 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -18.8! C(o=-19!,f=-20!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -126:sc= -0.965! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 179:sc= -2.5! USER MOD Single : A 77 TYR OH : rot 119:sc= -0.984! USER MOD Single : A 82 TYR OH : rot 30:sc=-0.00359 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -6.73! C(o=-6.7!,f=-2.6!) USER MOD Single : A 95 GLN : amide:sc= -14.7! C(o=-15!,f=-8.9!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0589 X(o=-0.059,f=-0.059) USER MOD Single : A 103 THR OG1 : rot -53:sc= -4.86! USER MOD Single : A 107 TYR OH : rot -115:sc= 0.494 USER MOD Single : A 110 CYS SG : rot -46:sc= 0.559 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.981 7.384 5.819 1.00 0.00 N ATOM 36 CA LEU A 6 -5.665 6.795 6.001 1.00 0.00 C ATOM 37 C LEU A 6 -4.782 7.683 6.854 1.00 0.00 C ATOM 38 O LEU A 6 -4.503 7.388 8.012 1.00 0.00 O ATOM 39 CB LEU A 6 -4.988 6.576 4.654 1.00 0.00 C ATOM 40 CG LEU A 6 -5.850 5.919 3.588 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.059 4.833 2.893 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.114 5.350 4.206 1.00 0.00 C ATOM 0 HA LEU A 6 -5.802 5.838 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.647 7.540 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.101 5.962 4.808 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.142 6.668 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.679 4.363 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.176 5.268 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.752 4.083 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.720 4.883 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.849 4.605 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.682 6.153 4.676 1.00 0.00 H new ATOM 54 N GLU A 7 -4.331 8.762 6.245 1.00 0.00 N ATOM 55 CA GLU A 7 -3.453 9.712 6.897 1.00 0.00 C ATOM 56 C GLU A 7 -3.264 9.382 8.365 1.00 0.00 C ATOM 57 O GLU A 7 -3.864 9.998 9.244 1.00 0.00 O ATOM 58 CB GLU A 7 -3.981 11.139 6.736 1.00 0.00 C ATOM 59 CG GLU A 7 -5.491 11.215 6.582 1.00 0.00 C ATOM 60 CD GLU A 7 -5.989 12.637 6.415 1.00 0.00 C ATOM 61 OE1 GLU A 7 -6.157 13.331 7.440 1.00 0.00 O ATOM 62 OE2 GLU A 7 -6.210 13.057 5.261 1.00 0.00 O ATOM 0 H GLU A 7 -4.564 9.005 5.282 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.480 9.642 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.682 11.728 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.512 11.595 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.795 10.624 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.965 10.768 7.456 1.00 0.00 H new ATOM 69 N THR A 8 -2.407 8.406 8.608 1.00 0.00 N ATOM 70 CA THR A 8 -2.099 7.975 9.965 1.00 0.00 C ATOM 71 C THR A 8 -1.440 6.599 9.976 1.00 0.00 C ATOM 72 O THR A 8 -0.867 6.190 10.985 1.00 0.00 O ATOM 73 CB THR A 8 -3.366 7.952 10.816 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.071 7.564 12.147 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.425 7.011 10.288 1.00 0.00 C ATOM 0 H THR A 8 -1.908 7.893 7.881 1.00 0.00 H new ATOM 0 HA THR A 8 -1.395 8.692 10.388 1.00 0.00 H new ATOM 0 HB THR A 8 -3.756 8.969 10.779 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.296 6.964 12.149 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.298 7.044 10.940 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.712 7.314 9.281 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.029 5.996 10.262 1.00 0.00 H new ATOM 83 N TYR A 9 -1.531 5.877 8.860 1.00 0.00 N ATOM 84 CA TYR A 9 -0.947 4.547 8.781 1.00 0.00 C ATOM 85 C TYR A 9 0.524 4.589 8.432 1.00 0.00 C ATOM 86 O TYR A 9 0.930 5.220 7.456 1.00 0.00 O ATOM 87 CB TYR A 9 -1.694 3.709 7.755 1.00 0.00 C ATOM 88 CG TYR A 9 -3.134 3.541 8.136 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.510 2.545 9.023 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.109 4.399 7.646 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.822 2.398 9.417 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.434 4.252 8.036 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.780 3.253 8.922 1.00 0.00 C ATOM 94 OH TYR A 9 -7.090 3.111 9.314 1.00 0.00 O ATOM 0 H TYR A 9 -1.999 6.190 8.009 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.040 4.094 9.768 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.627 4.184 6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.222 2.730 7.668 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.761 1.872 9.413 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.836 5.185 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.097 1.617 10.110 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.191 4.917 7.647 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.639 3.794 8.875 1.00 0.00 H new ATOM 104 N GLU A 10 1.319 3.883 9.222 1.00 0.00 N ATOM 105 CA GLU A 10 2.742 3.812 8.978 1.00 0.00 C ATOM 106 C GLU A 10 2.982 3.649 7.491 1.00 0.00 C ATOM 107 O GLU A 10 4.061 3.948 6.985 1.00 0.00 O ATOM 108 CB GLU A 10 3.346 2.623 9.725 1.00 0.00 C ATOM 109 CG GLU A 10 4.472 1.938 8.967 1.00 0.00 C ATOM 110 CD GLU A 10 5.677 1.657 9.844 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.572 0.792 10.739 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.726 2.302 9.634 1.00 0.00 O ATOM 0 H GLU A 10 0.999 3.355 10.034 1.00 0.00 H new ATOM 0 HA GLU A 10 3.214 4.728 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.723 2.964 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.561 1.895 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.106 1.001 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.775 2.565 8.129 1.00 0.00 H new ATOM 119 N TRP A 11 1.966 3.144 6.800 1.00 0.00 N ATOM 120 CA TRP A 11 2.059 2.901 5.376 1.00 0.00 C ATOM 121 C TRP A 11 1.568 4.074 4.529 1.00 0.00 C ATOM 122 O TRP A 11 2.125 4.345 3.467 1.00 0.00 O ATOM 123 CB TRP A 11 1.263 1.651 5.026 1.00 0.00 C ATOM 124 CG TRP A 11 -0.049 1.515 5.761 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.300 0.802 6.904 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.305 2.073 5.363 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.637 0.882 7.227 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.271 1.659 6.296 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.702 2.883 4.309 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.610 2.029 6.193 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.024 3.250 4.205 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.968 2.821 5.141 1.00 0.00 C ATOM 0 H TRP A 11 1.066 2.896 7.211 1.00 0.00 H new ATOM 0 HA TRP A 11 3.116 2.768 5.144 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.066 1.650 3.954 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.876 0.775 5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.442 0.257 7.469 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.082 0.435 8.029 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.982 3.222 3.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.339 1.701 6.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.337 3.880 3.386 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.999 3.121 5.030 1.00 0.00 H new ATOM 143 N TYR A 12 0.513 4.748 4.969 1.00 0.00 N ATOM 144 CA TYR A 12 -0.039 5.858 4.197 1.00 0.00 C ATOM 145 C TYR A 12 0.922 7.033 4.075 1.00 0.00 C ATOM 146 O TYR A 12 1.570 7.437 5.042 1.00 0.00 O ATOM 147 CB TYR A 12 -1.362 6.342 4.787 1.00 0.00 C ATOM 148 CG TYR A 12 -2.089 7.314 3.883 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.686 6.879 2.708 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.173 8.664 4.201 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.349 7.761 1.875 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.835 9.552 3.373 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.420 9.095 2.213 1.00 0.00 C ATOM 154 OH TYR A 12 -4.080 9.976 1.386 1.00 0.00 O ATOM 0 H TYR A 12 0.027 4.551 5.844 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.210 5.464 3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.004 5.483 4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.172 6.820 5.748 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.632 5.834 2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.714 9.026 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.809 7.406 0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.893 10.598 3.635 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.039 10.877 1.769 1.00 0.00 H new ATOM 164 N ASN A 13 0.984 7.583 2.866 1.00 0.00 N ATOM 165 CA ASN A 13 1.830 8.727 2.564 1.00 0.00 C ATOM 166 C ASN A 13 1.069 9.722 1.694 1.00 0.00 C ATOM 167 O ASN A 13 0.930 9.525 0.487 1.00 0.00 O ATOM 168 CB ASN A 13 3.101 8.278 1.848 1.00 0.00 C ATOM 169 CG ASN A 13 4.318 9.052 2.309 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.313 10.283 2.341 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.362 8.331 2.677 1.00 0.00 N ATOM 0 H ASN A 13 0.446 7.245 2.068 1.00 0.00 H new ATOM 0 HA ASN A 13 2.109 9.209 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.260 7.214 2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.976 8.407 0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.210 8.792 3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.320 7.313 2.633 1.00 0.00 H new ATOM 178 N LYS A 14 0.559 10.779 2.315 1.00 0.00 N ATOM 179 CA LYS A 14 -0.206 11.788 1.592 1.00 0.00 C ATOM 180 C LYS A 14 0.652 12.519 0.562 1.00 0.00 C ATOM 181 O LYS A 14 1.864 12.659 0.728 1.00 0.00 O ATOM 182 CB LYS A 14 -0.810 12.800 2.565 1.00 0.00 C ATOM 183 CG LYS A 14 0.213 13.450 3.482 1.00 0.00 C ATOM 184 CD LYS A 14 -0.124 13.220 4.946 1.00 0.00 C ATOM 185 CE LYS A 14 -1.356 14.007 5.363 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.059 15.456 5.533 1.00 0.00 N ATOM 0 H LYS A 14 0.661 10.959 3.314 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.005 11.269 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.321 13.577 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.565 12.301 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.203 13.047 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.255 14.521 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.294 12.157 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.723 13.513 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.137 13.882 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.745 13.604 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.902 15.943 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.273 15.573 6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.794 15.866 4.615 1.00 0.00 H new ATOM 200 N SER A 15 0.001 12.995 -0.496 1.00 0.00 N ATOM 201 CA SER A 15 0.676 13.731 -1.564 1.00 0.00 C ATOM 202 C SER A 15 1.835 12.938 -2.173 1.00 0.00 C ATOM 203 O SER A 15 2.481 13.402 -3.111 1.00 0.00 O ATOM 204 CB SER A 15 1.192 15.070 -1.033 1.00 0.00 C ATOM 205 OG SER A 15 1.520 15.949 -2.095 1.00 0.00 O ATOM 0 H SER A 15 -1.003 12.883 -0.638 1.00 0.00 H new ATOM 0 HA SER A 15 -0.058 13.901 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.434 15.529 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.071 14.903 -0.410 1.00 0.00 H new ATOM 0 HG SER A 15 1.968 15.448 -2.808 1.00 0.00 H new ATOM 211 N ILE A 16 2.105 11.756 -1.633 1.00 0.00 N ATOM 212 CA ILE A 16 3.194 10.926 -2.125 1.00 0.00 C ATOM 213 C ILE A 16 3.004 10.508 -3.576 1.00 0.00 C ATOM 214 O ILE A 16 1.892 10.510 -4.105 1.00 0.00 O ATOM 215 CB ILE A 16 3.347 9.655 -1.283 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.665 9.686 -0.527 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.275 8.420 -2.167 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.298 8.322 -0.382 1.00 0.00 C ATOM 0 H ILE A 16 1.584 11.352 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 16 4.089 11.544 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 16 2.529 9.612 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.358 10.348 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.499 10.110 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.385 7.526 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.312 8.393 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.076 8.454 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.236 8.412 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.621 7.663 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.494 7.905 -1.370 1.00 0.00 H new ATOM 230 N SER A 17 4.112 10.125 -4.198 1.00 0.00 N ATOM 231 CA SER A 17 4.116 9.666 -5.577 1.00 0.00 C ATOM 232 C SER A 17 4.770 8.292 -5.663 1.00 0.00 C ATOM 233 O SER A 17 5.105 7.692 -4.642 1.00 0.00 O ATOM 234 CB SER A 17 4.859 10.661 -6.466 1.00 0.00 C ATOM 235 OG SER A 17 4.087 11.003 -7.605 1.00 0.00 O ATOM 0 H SER A 17 5.032 10.125 -3.758 1.00 0.00 H new ATOM 0 HA SER A 17 3.086 9.592 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.090 11.561 -5.896 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.809 10.231 -6.783 1.00 0.00 H new ATOM 0 HG SER A 17 4.584 11.642 -8.157 1.00 0.00 H new ATOM 241 N ARG A 18 4.956 7.797 -6.878 1.00 0.00 N ATOM 242 CA ARG A 18 5.578 6.494 -7.080 1.00 0.00 C ATOM 243 C ARG A 18 7.084 6.561 -6.832 1.00 0.00 C ATOM 244 O ARG A 18 7.691 5.599 -6.360 1.00 0.00 O ATOM 245 CB ARG A 18 5.308 5.993 -8.500 1.00 0.00 C ATOM 246 CG ARG A 18 6.499 6.139 -9.433 1.00 0.00 C ATOM 247 CD ARG A 18 6.383 5.214 -10.634 1.00 0.00 C ATOM 248 NE ARG A 18 4.998 4.845 -10.909 1.00 0.00 N ATOM 249 CZ ARG A 18 4.644 3.725 -11.531 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.571 2.870 -11.938 1.00 0.00 N ATOM 251 NH2 ARG A 18 3.363 3.460 -11.745 1.00 0.00 N ATOM 0 H ARG A 18 4.686 8.275 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 18 5.141 5.798 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.017 4.943 -8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.462 6.541 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.571 7.172 -9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.418 5.918 -8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.809 5.703 -11.510 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.970 4.313 -10.455 1.00 0.00 H new ATOM 0 HE ARG A 18 4.261 5.482 -10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.557 3.071 -11.774 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.298 2.011 -12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.647 4.116 -11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.093 2.600 -12.222 1.00 0.00 H new ATOM 265 N ASP A 19 7.685 7.696 -7.169 1.00 0.00 N ATOM 266 CA ASP A 19 9.123 7.887 -7.002 1.00 0.00 C ATOM 267 C ASP A 19 9.521 8.068 -5.537 1.00 0.00 C ATOM 268 O ASP A 19 10.496 7.475 -5.075 1.00 0.00 O ATOM 269 CB ASP A 19 9.587 9.097 -7.814 1.00 0.00 C ATOM 270 CG ASP A 19 10.958 8.890 -8.427 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.073 8.065 -9.358 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.916 9.553 -7.978 1.00 0.00 O ATOM 0 H ASP A 19 7.198 8.502 -7.561 1.00 0.00 H new ATOM 0 HA ASP A 19 9.612 6.983 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.865 9.299 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.609 9.976 -7.170 1.00 0.00 H new ATOM 277 N LYS A 20 8.783 8.909 -4.816 1.00 0.00 N ATOM 278 CA LYS A 20 9.092 9.183 -3.415 1.00 0.00 C ATOM 279 C LYS A 20 8.968 7.938 -2.541 1.00 0.00 C ATOM 280 O LYS A 20 9.885 7.608 -1.782 1.00 0.00 O ATOM 281 CB LYS A 20 8.177 10.283 -2.877 1.00 0.00 C ATOM 282 CG LYS A 20 8.079 11.490 -3.793 1.00 0.00 C ATOM 283 CD LYS A 20 6.797 11.464 -4.605 1.00 0.00 C ATOM 284 CE LYS A 20 5.782 12.464 -4.073 1.00 0.00 C ATOM 285 NZ LYS A 20 5.350 13.429 -5.122 1.00 0.00 N ATOM 0 H LYS A 20 7.971 9.410 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 20 10.130 9.513 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.179 9.872 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.543 10.605 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.118 12.403 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.937 11.510 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.020 11.690 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.370 10.462 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.912 11.930 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.215 13.009 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.396 14.397 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.979 13.350 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.374 13.215 -5.409 1.00 0.00 H new ATOM 299 N ALA A 21 7.836 7.249 -2.629 1.00 0.00 N ATOM 300 CA ALA A 21 7.636 6.059 -1.816 1.00 0.00 C ATOM 301 C ALA A 21 8.784 5.067 -2.016 1.00 0.00 C ATOM 302 O ALA A 21 9.359 4.565 -1.051 1.00 0.00 O ATOM 303 CB ALA A 21 6.284 5.418 -2.082 1.00 0.00 C ATOM 0 H ALA A 21 7.057 7.489 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 21 7.638 6.364 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.172 4.533 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.492 6.130 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.217 5.131 -3.132 1.00 0.00 H new ATOM 309 N GLU A 22 9.155 4.804 -3.260 1.00 0.00 N ATOM 310 CA GLU A 22 10.270 3.903 -3.510 1.00 0.00 C ATOM 311 C GLU A 22 11.489 4.429 -2.762 1.00 0.00 C ATOM 312 O GLU A 22 12.168 3.696 -2.028 1.00 0.00 O ATOM 313 CB GLU A 22 10.563 3.806 -5.009 1.00 0.00 C ATOM 314 CG GLU A 22 9.517 3.023 -5.786 1.00 0.00 C ATOM 315 CD GLU A 22 9.714 3.117 -7.286 1.00 0.00 C ATOM 316 OE1 GLU A 22 9.840 4.249 -7.798 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.740 2.059 -7.949 1.00 0.00 O ATOM 0 H GLU A 22 8.713 5.191 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 22 10.020 2.902 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.633 4.812 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.536 3.335 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.553 1.976 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.525 3.395 -5.529 1.00 0.00 H new ATOM 324 N LYS A 23 11.732 5.728 -2.934 1.00 0.00 N ATOM 325 CA LYS A 23 12.835 6.400 -2.268 1.00 0.00 C ATOM 326 C LYS A 23 12.730 6.208 -0.764 1.00 0.00 C ATOM 327 O LYS A 23 13.682 5.771 -0.117 1.00 0.00 O ATOM 328 CB LYS A 23 12.828 7.893 -2.600 1.00 0.00 C ATOM 329 CG LYS A 23 12.309 8.762 -1.465 1.00 0.00 C ATOM 330 CD LYS A 23 12.008 10.176 -1.937 1.00 0.00 C ATOM 331 CE LYS A 23 10.810 10.764 -1.210 1.00 0.00 C ATOM 332 NZ LYS A 23 10.297 11.989 -1.883 1.00 0.00 N ATOM 0 H LYS A 23 11.173 6.335 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 23 13.770 5.965 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.841 8.206 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.213 8.058 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.406 8.317 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.047 8.794 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.880 10.809 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.816 10.169 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.016 10.019 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.090 11.004 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.306 12.146 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.869 12.808 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.357 11.869 -2.914 1.00 0.00 H new ATOM 346 N LEU A 24 11.560 6.521 -0.210 1.00 0.00 N ATOM 347 CA LEU A 24 11.351 6.358 1.220 1.00 0.00 C ATOM 348 C LEU A 24 11.428 4.879 1.578 1.00 0.00 C ATOM 349 O LEU A 24 11.944 4.514 2.634 1.00 0.00 O ATOM 350 CB LEU A 24 10.019 6.979 1.662 1.00 0.00 C ATOM 351 CG LEU A 24 8.897 5.993 1.975 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.446 5.307 0.701 1.00 0.00 C ATOM 353 CD2 LEU A 24 9.347 4.976 3.012 1.00 0.00 C ATOM 0 H LEU A 24 10.756 6.883 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 24 12.137 6.888 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.200 7.587 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.676 7.653 0.877 1.00 0.00 H new ATOM 0 HG LEU A 24 8.052 6.540 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.645 4.604 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.083 6.054 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.286 4.769 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.532 4.283 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.205 4.423 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.627 5.492 3.930 1.00 0.00 H new ATOM 365 N LEU A 25 10.954 4.021 0.670 1.00 0.00 N ATOM 366 CA LEU A 25 11.028 2.582 0.893 1.00 0.00 C ATOM 367 C LEU A 25 12.485 2.187 1.018 1.00 0.00 C ATOM 368 O LEU A 25 12.885 1.505 1.962 1.00 0.00 O ATOM 369 CB LEU A 25 10.399 1.796 -0.263 1.00 0.00 C ATOM 370 CG LEU A 25 8.920 1.450 -0.093 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.540 1.451 1.376 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.064 2.420 -0.886 1.00 0.00 C ATOM 0 H LEU A 25 10.522 4.296 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 25 10.476 2.347 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.516 2.374 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.958 0.870 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 25 8.743 0.447 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.484 1.203 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.140 0.712 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.723 2.439 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.012 2.165 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.237 3.435 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.327 2.358 -1.942 1.00 0.00 H new ATOM 384 N LEU A 26 13.276 2.634 0.048 1.00 0.00 N ATOM 385 CA LEU A 26 14.701 2.344 0.038 1.00 0.00 C ATOM 386 C LEU A 26 15.375 2.877 1.301 1.00 0.00 C ATOM 387 O LEU A 26 16.363 2.314 1.772 1.00 0.00 O ATOM 388 CB LEU A 26 15.357 2.963 -1.194 1.00 0.00 C ATOM 389 CG LEU A 26 15.534 2.014 -2.381 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.257 1.229 -2.632 1.00 0.00 C ATOM 391 CD2 LEU A 26 15.939 2.789 -3.626 1.00 0.00 C ATOM 0 H LEU A 26 12.953 3.197 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 26 14.825 1.261 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.758 3.815 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.335 3.350 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 26 16.329 1.307 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.402 0.560 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.009 0.644 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.442 1.920 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.061 2.099 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.166 3.518 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.881 3.306 -3.442 1.00 0.00 H new ATOM 403 N ASP A 27 14.839 3.971 1.843 1.00 0.00 N ATOM 404 CA ASP A 27 15.403 4.574 3.048 1.00 0.00 C ATOM 405 C ASP A 27 15.584 3.525 4.137 1.00 0.00 C ATOM 406 O ASP A 27 16.665 3.393 4.711 1.00 0.00 O ATOM 407 CB ASP A 27 14.498 5.700 3.551 1.00 0.00 C ATOM 408 CG ASP A 27 14.627 6.961 2.720 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.707 7.176 2.129 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.647 7.734 2.659 1.00 0.00 O ATOM 0 H ASP A 27 14.022 4.454 1.469 1.00 0.00 H new ATOM 0 HA ASP A 27 16.379 4.990 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.461 5.363 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.745 5.925 4.588 1.00 0.00 H new ATOM 415 N THR A 28 14.529 2.759 4.397 1.00 0.00 N ATOM 416 CA THR A 28 14.592 1.697 5.394 1.00 0.00 C ATOM 417 C THR A 28 14.963 0.395 4.728 1.00 0.00 C ATOM 418 O THR A 28 15.885 -0.306 5.145 1.00 0.00 O ATOM 419 CB THR A 28 13.252 1.502 6.112 1.00 0.00 C ATOM 420 OG1 THR A 28 13.236 0.258 6.788 1.00 0.00 O ATOM 421 CG2 THR A 28 12.047 1.535 5.193 1.00 0.00 C ATOM 0 H THR A 28 13.625 2.853 3.934 1.00 0.00 H new ATOM 0 HA THR A 28 15.343 1.990 6.128 1.00 0.00 H new ATOM 0 HB THR A 28 13.174 2.343 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.609 0.370 7.687 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.139 1.390 5.778 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.002 2.499 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.132 0.740 4.452 1.00 0.00 H new ATOM 429 N GLY A 29 14.193 0.070 3.707 1.00 0.00 N ATOM 430 CA GLY A 29 14.392 -1.166 2.996 1.00 0.00 C ATOM 431 C GLY A 29 13.613 -2.266 3.667 1.00 0.00 C ATOM 432 O GLY A 29 13.893 -3.452 3.495 1.00 0.00 O ATOM 0 H GLY A 29 13.428 0.646 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.069 -1.058 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.452 -1.418 2.975 1.00 0.00 H new ATOM 436 N LYS A 30 12.637 -1.844 4.460 1.00 0.00 N ATOM 437 CA LYS A 30 11.794 -2.758 5.206 1.00 0.00 C ATOM 438 C LYS A 30 11.374 -3.942 4.369 1.00 0.00 C ATOM 439 O LYS A 30 10.687 -3.785 3.361 1.00 0.00 O ATOM 440 CB LYS A 30 10.535 -2.040 5.714 1.00 0.00 C ATOM 441 CG LYS A 30 10.813 -0.862 6.629 1.00 0.00 C ATOM 442 CD LYS A 30 11.220 -1.332 8.010 1.00 0.00 C ATOM 443 CE LYS A 30 11.920 -2.671 7.930 1.00 0.00 C ATOM 444 NZ LYS A 30 12.035 -3.321 9.265 1.00 0.00 N ATOM 0 H LYS A 30 12.411 -0.860 4.602 1.00 0.00 H new ATOM 0 HA LYS A 30 12.384 -3.116 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.959 -1.691 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.911 -2.758 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.604 -0.245 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.924 -0.235 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.880 -0.597 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.339 -1.413 8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.372 -3.327 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.915 -2.535 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.520 -4.235 9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.580 -2.708 9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.085 -3.475 9.659 1.00 0.00 H new ATOM 458 N GLU A 31 11.754 -5.138 4.801 1.00 0.00 N ATOM 459 CA GLU A 31 11.353 -6.315 4.070 1.00 0.00 C ATOM 460 C GLU A 31 9.841 -6.293 3.970 1.00 0.00 C ATOM 461 O GLU A 31 9.131 -6.504 4.954 1.00 0.00 O ATOM 462 CB GLU A 31 11.826 -7.586 4.777 1.00 0.00 C ATOM 463 CG GLU A 31 10.930 -8.788 4.534 1.00 0.00 C ATOM 464 CD GLU A 31 11.170 -9.908 5.529 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.018 -9.729 6.429 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.513 -10.962 5.407 1.00 0.00 O ATOM 0 H GLU A 31 12.323 -5.309 5.630 1.00 0.00 H new ATOM 0 HA GLU A 31 11.804 -6.314 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.836 -7.823 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.882 -7.396 5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.887 -8.476 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.097 -9.163 3.524 1.00 0.00 H new ATOM 473 N GLY A 32 9.362 -5.997 2.782 1.00 0.00 N ATOM 474 CA GLY A 32 7.938 -5.897 2.554 1.00 0.00 C ATOM 475 C GLY A 32 7.417 -4.547 3.001 1.00 0.00 C ATOM 476 O GLY A 32 6.308 -4.438 3.525 1.00 0.00 O ATOM 0 H GLY A 32 9.938 -5.821 1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.723 -6.043 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.422 -6.689 3.096 1.00 0.00 H new ATOM 480 N ALA A 33 8.234 -3.514 2.797 1.00 0.00 N ATOM 481 CA ALA A 33 7.874 -2.156 3.182 1.00 0.00 C ATOM 482 C ALA A 33 6.582 -1.730 2.504 1.00 0.00 C ATOM 483 O ALA A 33 6.529 -1.595 1.281 1.00 0.00 O ATOM 484 CB ALA A 33 9.004 -1.199 2.831 1.00 0.00 C ATOM 0 H ALA A 33 9.154 -3.596 2.365 1.00 0.00 H new ATOM 0 HA ALA A 33 7.714 -2.130 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.726 -0.186 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.909 -1.494 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.187 -1.230 1.757 1.00 0.00 H new ATOM 490 N PHE A 34 5.535 -1.534 3.298 1.00 0.00 N ATOM 491 CA PHE A 34 4.246 -1.140 2.754 1.00 0.00 C ATOM 492 C PHE A 34 3.920 0.320 3.023 1.00 0.00 C ATOM 493 O PHE A 34 4.040 0.801 4.143 1.00 0.00 O ATOM 494 CB PHE A 34 3.124 -1.985 3.339 1.00 0.00 C ATOM 495 CG PHE A 34 1.797 -1.313 3.180 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.286 -1.077 1.918 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.064 -0.901 4.277 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.075 -0.443 1.755 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.138 -0.268 4.114 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.638 -0.034 2.856 1.00 0.00 C ATOM 0 H PHE A 34 5.555 -1.641 4.312 1.00 0.00 H new ATOM 0 HA PHE A 34 4.321 -1.294 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.103 -2.957 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.317 -2.168 4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.843 -1.394 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.444 -1.080 5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.314 -0.267 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.698 0.050 4.981 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.586 0.469 2.733 1.00 0.00 H new ATOM 510 N MET A 35 3.469 1.006 1.987 1.00 0.00 N ATOM 511 CA MET A 35 3.078 2.402 2.111 1.00 0.00 C ATOM 512 C MET A 35 1.847 2.672 1.255 1.00 0.00 C ATOM 513 O MET A 35 1.485 1.854 0.413 1.00 0.00 O ATOM 514 CB MET A 35 4.226 3.315 1.694 1.00 0.00 C ATOM 515 CG MET A 35 3.798 4.739 1.397 1.00 0.00 C ATOM 516 SD MET A 35 5.192 5.791 0.980 1.00 0.00 S ATOM 517 CE MET A 35 6.207 5.554 2.436 1.00 0.00 C ATOM 0 H MET A 35 3.364 0.620 1.049 1.00 0.00 H new ATOM 0 HA MET A 35 2.836 2.610 3.153 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.974 3.328 2.487 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.707 2.898 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.086 4.738 0.572 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.281 5.150 2.264 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.942 6.356 2.502 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.576 5.566 3.325 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.721 4.595 2.369 1.00 0.00 H new ATOM 527 N VAL A 36 1.206 3.815 1.464 1.00 0.00 N ATOM 528 CA VAL A 36 0.023 4.163 0.684 1.00 0.00 C ATOM 529 C VAL A 36 0.041 5.631 0.294 1.00 0.00 C ATOM 530 O VAL A 36 0.580 6.469 1.014 1.00 0.00 O ATOM 531 CB VAL A 36 -1.286 3.860 1.432 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.485 4.297 0.603 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.373 2.382 1.764 1.00 0.00 C ATOM 0 H VAL A 36 1.480 4.510 2.158 1.00 0.00 H new ATOM 0 HA VAL A 36 0.056 3.541 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.293 4.423 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.403 4.075 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.425 5.369 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.487 3.760 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.305 2.182 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.347 1.800 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.530 2.101 2.395 1.00 0.00 H new ATOM 543 N ARG A 37 -0.548 5.936 -0.852 1.00 0.00 N ATOM 544 CA ARG A 37 -0.595 7.307 -1.334 1.00 0.00 C ATOM 545 C ARG A 37 -1.855 7.545 -2.157 1.00 0.00 C ATOM 546 O ARG A 37 -2.123 6.833 -3.125 1.00 0.00 O ATOM 547 CB ARG A 37 0.668 7.615 -2.143 1.00 0.00 C ATOM 548 CG ARG A 37 0.425 7.849 -3.623 1.00 0.00 C ATOM 549 CD ARG A 37 1.282 6.915 -4.461 1.00 0.00 C ATOM 550 NE ARG A 37 1.471 7.404 -5.823 1.00 0.00 N ATOM 551 CZ ARG A 37 0.476 7.744 -6.637 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.784 7.626 -6.239 1.00 0.00 N ATOM 553 NH2 ARG A 37 0.740 8.192 -7.857 1.00 0.00 N ATOM 0 H ARG A 37 -0.999 5.255 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.630 7.985 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.147 8.499 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.368 6.788 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.628 7.689 -3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.653 8.885 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.254 6.793 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.816 5.930 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 37 2.425 7.490 -6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.993 7.273 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.544 7.888 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.707 8.276 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.024 8.453 -8.481 1.00 0.00 H new ATOM 567 N ASP A 38 -2.634 8.542 -1.753 1.00 0.00 N ATOM 568 CA ASP A 38 -3.879 8.868 -2.440 1.00 0.00 C ATOM 569 C ASP A 38 -3.645 9.106 -3.926 1.00 0.00 C ATOM 570 O ASP A 38 -2.588 9.589 -4.333 1.00 0.00 O ATOM 571 CB ASP A 38 -4.527 10.101 -1.809 1.00 0.00 C ATOM 572 CG ASP A 38 -5.928 10.349 -2.333 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.139 10.202 -3.555 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.813 10.691 -1.521 1.00 0.00 O ATOM 0 H ASP A 38 -2.426 9.139 -0.953 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.551 8.016 -2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.564 9.975 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.908 10.976 -2.008 1.00 0.00 H new ATOM 579 N SER A 39 -4.645 8.764 -4.732 1.00 0.00 N ATOM 580 CA SER A 39 -4.562 8.938 -6.175 1.00 0.00 C ATOM 581 C SER A 39 -5.376 10.146 -6.624 1.00 0.00 C ATOM 582 O SER A 39 -4.831 11.108 -7.165 1.00 0.00 O ATOM 583 CB SER A 39 -5.061 7.681 -6.888 1.00 0.00 C ATOM 584 OG SER A 39 -5.594 7.995 -8.163 1.00 0.00 O ATOM 0 H SER A 39 -5.525 8.363 -4.407 1.00 0.00 H new ATOM 0 HA SER A 39 -3.518 9.108 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.241 6.972 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.824 7.194 -6.281 1.00 0.00 H new ATOM 0 HG SER A 39 -5.741 7.169 -8.669 1.00 0.00 H new ATOM 590 N ARG A 40 -6.683 10.089 -6.393 1.00 0.00 N ATOM 591 CA ARG A 40 -7.573 11.179 -6.772 1.00 0.00 C ATOM 592 C ARG A 40 -8.993 10.670 -7.002 1.00 0.00 C ATOM 593 O ARG A 40 -9.932 11.458 -7.116 1.00 0.00 O ATOM 594 CB ARG A 40 -7.056 11.872 -8.034 1.00 0.00 C ATOM 595 CG ARG A 40 -6.441 13.237 -7.769 1.00 0.00 C ATOM 596 CD ARG A 40 -5.056 13.352 -8.384 1.00 0.00 C ATOM 597 NE ARG A 40 -4.055 13.768 -7.406 1.00 0.00 N ATOM 598 CZ ARG A 40 -4.190 14.833 -6.622 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.282 15.582 -6.700 1.00 0.00 N ATOM 600 NH2 ARG A 40 -3.235 15.150 -5.759 1.00 0.00 N ATOM 0 H ARG A 40 -7.149 9.300 -5.945 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.594 11.898 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.312 11.234 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.879 11.984 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.087 14.014 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.378 13.407 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.768 12.391 -8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.082 14.070 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.205 13.211 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.019 15.341 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.384 16.399 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.394 14.576 -5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.341 15.968 -5.159 1.00 0.00 H new ATOM 614 N THR A 41 -9.144 9.350 -7.070 1.00 0.00 N ATOM 615 CA THR A 41 -10.455 8.746 -7.287 1.00 0.00 C ATOM 616 C THR A 41 -11.209 8.589 -5.974 1.00 0.00 C ATOM 617 O THR A 41 -10.621 8.624 -4.894 1.00 0.00 O ATOM 618 CB THR A 41 -10.317 7.383 -7.964 1.00 0.00 C ATOM 619 OG1 THR A 41 -10.228 7.528 -9.370 1.00 0.00 O ATOM 620 CG2 THR A 41 -11.475 6.450 -7.670 1.00 0.00 C ATOM 0 H THR A 41 -8.379 8.681 -6.979 1.00 0.00 H new ATOM 0 HA THR A 41 -11.020 9.412 -7.938 1.00 0.00 H new ATOM 0 HB THR A 41 -9.406 6.947 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.138 6.645 -9.785 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.315 5.500 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.540 6.278 -6.596 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.403 6.900 -8.023 1.00 0.00 H new ATOM 628 N PRO A 42 -12.534 8.416 -6.061 1.00 0.00 N ATOM 629 CA PRO A 42 -13.401 8.254 -4.897 1.00 0.00 C ATOM 630 C PRO A 42 -13.327 6.853 -4.293 1.00 0.00 C ATOM 631 O PRO A 42 -14.117 5.978 -4.643 1.00 0.00 O ATOM 632 CB PRO A 42 -14.810 8.507 -5.454 1.00 0.00 C ATOM 633 CG PRO A 42 -14.629 8.915 -6.883 1.00 0.00 C ATOM 634 CD PRO A 42 -13.300 8.374 -7.308 1.00 0.00 C ATOM 0 HA PRO A 42 -13.111 8.930 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.424 7.610 -5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.318 9.288 -4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.429 8.515 -7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.658 10.000 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.380 7.361 -7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.843 8.984 -8.087 1.00 0.00 H new ATOM 642 N GLY A 43 -12.383 6.649 -3.379 1.00 0.00 N ATOM 643 CA GLY A 43 -12.240 5.355 -2.741 1.00 0.00 C ATOM 644 C GLY A 43 -10.972 4.654 -3.122 1.00 0.00 C ATOM 645 O GLY A 43 -10.858 3.440 -2.958 1.00 0.00 O ATOM 0 H GLY A 43 -11.716 7.356 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.267 5.484 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.090 4.728 -3.008 1.00 0.00 H new ATOM 649 N THR A 44 -10.028 5.390 -3.671 1.00 0.00 N ATOM 650 CA THR A 44 -8.806 4.768 -4.106 1.00 0.00 C ATOM 651 C THR A 44 -7.555 5.452 -3.587 1.00 0.00 C ATOM 652 O THR A 44 -7.371 6.660 -3.732 1.00 0.00 O ATOM 653 CB THR A 44 -8.790 4.726 -5.621 1.00 0.00 C ATOM 654 OG1 THR A 44 -9.687 5.680 -6.163 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.171 3.380 -6.158 1.00 0.00 C ATOM 0 H THR A 44 -10.084 6.397 -3.822 1.00 0.00 H new ATOM 0 HA THR A 44 -8.789 3.761 -3.688 1.00 0.00 H new ATOM 0 HB THR A 44 -7.765 4.951 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.466 6.570 -5.818 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.144 3.402 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.469 2.631 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.177 3.127 -5.825 1.00 0.00 H new ATOM 663 N TYR A 45 -6.680 4.637 -3.014 1.00 0.00 N ATOM 664 CA TYR A 45 -5.407 5.101 -2.499 1.00 0.00 C ATOM 665 C TYR A 45 -4.294 4.233 -3.061 1.00 0.00 C ATOM 666 O TYR A 45 -4.531 3.094 -3.464 1.00 0.00 O ATOM 667 CB TYR A 45 -5.384 5.060 -0.974 1.00 0.00 C ATOM 668 CG TYR A 45 -6.574 5.729 -0.335 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.839 5.171 -0.443 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.435 6.915 0.373 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.936 5.774 0.136 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.529 7.527 0.958 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.777 6.952 0.835 1.00 0.00 C ATOM 674 OH TYR A 45 -9.869 7.558 1.415 1.00 0.00 O ATOM 0 H TYR A 45 -6.836 3.636 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.260 6.136 -2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.343 4.021 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.473 5.542 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.967 4.249 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.459 7.366 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.914 5.326 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.407 8.449 1.507 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.585 8.378 1.870 1.00 0.00 H new ATOM 684 N THR A 46 -3.088 4.767 -3.099 1.00 0.00 N ATOM 685 CA THR A 46 -1.952 4.025 -3.627 1.00 0.00 C ATOM 686 C THR A 46 -1.212 3.305 -2.503 1.00 0.00 C ATOM 687 O THR A 46 -1.199 3.777 -1.368 1.00 0.00 O ATOM 688 CB THR A 46 -1.007 4.975 -4.350 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.738 5.954 -5.069 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.094 4.275 -5.329 1.00 0.00 C ATOM 0 H THR A 46 -2.867 5.708 -2.773 1.00 0.00 H new ATOM 0 HA THR A 46 -2.319 3.278 -4.331 1.00 0.00 H new ATOM 0 HB THR A 46 -0.397 5.430 -3.570 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.229 6.523 -4.440 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.554 5.008 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.516 3.544 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.692 3.767 -6.085 1.00 0.00 H new ATOM 698 N VAL A 47 -0.594 2.166 -2.818 1.00 0.00 N ATOM 699 CA VAL A 47 0.146 1.406 -1.818 1.00 0.00 C ATOM 700 C VAL A 47 1.589 1.196 -2.248 1.00 0.00 C ATOM 701 O VAL A 47 1.863 0.486 -3.213 1.00 0.00 O ATOM 702 CB VAL A 47 -0.479 0.026 -1.545 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.516 -0.857 -0.802 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.775 0.164 -0.761 1.00 0.00 C ATOM 0 H VAL A 47 -0.592 1.754 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 47 0.105 1.999 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.718 -0.445 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.067 -1.832 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.414 -0.983 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.781 -0.389 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.198 -0.824 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.573 0.652 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.484 0.763 -1.333 1.00 0.00 H new ATOM 714 N SER A 48 2.509 1.797 -1.515 1.00 0.00 N ATOM 715 CA SER A 48 3.923 1.653 -1.813 1.00 0.00 C ATOM 716 C SER A 48 4.467 0.406 -1.123 1.00 0.00 C ATOM 717 O SER A 48 4.559 0.362 0.105 1.00 0.00 O ATOM 718 CB SER A 48 4.704 2.890 -1.352 1.00 0.00 C ATOM 719 OG SER A 48 5.812 2.522 -0.551 1.00 0.00 O ATOM 0 H SER A 48 2.303 2.389 -0.710 1.00 0.00 H new ATOM 0 HA SER A 48 4.044 1.554 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.049 3.451 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.046 3.550 -0.787 1.00 0.00 H new ATOM 0 HG SER A 48 6.074 3.280 0.012 1.00 0.00 H new ATOM 725 N VAL A 49 4.814 -0.608 -1.910 1.00 0.00 N ATOM 726 CA VAL A 49 5.339 -1.849 -1.353 1.00 0.00 C ATOM 727 C VAL A 49 6.805 -2.037 -1.722 1.00 0.00 C ATOM 728 O VAL A 49 7.180 -1.941 -2.890 1.00 0.00 O ATOM 729 CB VAL A 49 4.530 -3.069 -1.831 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.065 -2.927 -1.439 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.676 -3.248 -3.334 1.00 0.00 C ATOM 0 H VAL A 49 4.742 -0.595 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 49 5.250 -1.774 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 49 4.925 -3.960 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.510 -3.799 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.984 -2.853 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.652 -2.028 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.098 -4.115 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.308 -2.357 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.726 -3.400 -3.582 1.00 0.00 H new ATOM 741 N PHE A 50 7.634 -2.289 -0.714 1.00 0.00 N ATOM 742 CA PHE A 50 9.064 -2.475 -0.925 1.00 0.00 C ATOM 743 C PHE A 50 9.542 -3.786 -0.305 1.00 0.00 C ATOM 744 O PHE A 50 9.251 -4.078 0.859 1.00 0.00 O ATOM 745 CB PHE A 50 9.821 -1.285 -0.335 1.00 0.00 C ATOM 746 CG PHE A 50 11.281 -1.524 -0.118 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.718 -2.495 0.766 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.218 -0.766 -0.799 1.00 0.00 C ATOM 749 CE1 PHE A 50 13.065 -2.705 0.965 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.566 -0.972 -0.605 1.00 0.00 C ATOM 751 CZ PHE A 50 13.990 -1.941 0.277 1.00 0.00 C ATOM 0 H PHE A 50 7.338 -2.369 0.259 1.00 0.00 H new ATOM 0 HA PHE A 50 9.262 -2.529 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.701 -0.429 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.364 -1.016 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.997 -3.093 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.888 -0.004 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.398 -3.465 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.288 -0.376 -1.143 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.046 -2.104 0.432 1.00 0.00 H new ATOM 761 N THR A 51 10.255 -4.587 -1.099 1.00 0.00 N ATOM 762 CA THR A 51 10.748 -5.885 -0.640 1.00 0.00 C ATOM 763 C THR A 51 12.200 -6.136 -0.988 1.00 0.00 C ATOM 764 O THR A 51 12.613 -5.892 -2.111 1.00 0.00 O ATOM 765 CB THR A 51 9.977 -7.020 -1.287 1.00 0.00 C ATOM 766 OG1 THR A 51 8.648 -7.096 -0.803 1.00 0.00 O ATOM 767 CG2 THR A 51 10.654 -8.344 -1.048 1.00 0.00 C ATOM 0 H THR A 51 10.503 -4.359 -2.062 1.00 0.00 H new ATOM 0 HA THR A 51 10.621 -5.856 0.442 1.00 0.00 H new ATOM 0 HB THR A 51 9.955 -6.807 -2.356 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.397 -8.036 -0.683 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.078 -9.138 -1.523 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.658 -8.321 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.716 -8.533 0.024 1.00 0.00 H new ATOM 899 N CYS A 60 12.700 -5.046 -3.970 1.00 0.00 N ATOM 900 CA CYS A 60 11.907 -4.555 -5.083 1.00 0.00 C ATOM 901 C CYS A 60 10.696 -3.785 -4.580 1.00 0.00 C ATOM 902 O CYS A 60 9.914 -4.295 -3.778 1.00 0.00 O ATOM 903 CB CYS A 60 11.443 -5.724 -5.951 1.00 0.00 C ATOM 904 SG CYS A 60 12.708 -6.357 -7.077 1.00 0.00 S ATOM 0 HA CYS A 60 12.529 -3.885 -5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.111 -6.535 -5.302 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.578 -5.408 -6.534 1.00 0.00 H new ATOM 0 HG CYS A 60 12.220 -7.345 -7.766 1.00 0.00 H new ATOM 910 N ILE A 61 10.536 -2.562 -5.062 1.00 0.00 N ATOM 911 CA ILE A 61 9.406 -1.742 -4.660 1.00 0.00 C ATOM 912 C ILE A 61 8.312 -1.788 -5.706 1.00 0.00 C ATOM 913 O ILE A 61 8.576 -1.951 -6.898 1.00 0.00 O ATOM 914 CB ILE A 61 9.796 -0.273 -4.422 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.977 -0.189 -3.459 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.602 0.500 -3.879 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.203 -0.930 -3.943 1.00 0.00 C ATOM 0 H ILE A 61 11.170 -2.119 -5.727 1.00 0.00 H new ATOM 0 HA ILE A 61 9.048 -2.159 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 61 10.096 0.173 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.234 0.859 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.677 -0.592 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.886 1.539 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.784 0.458 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.280 0.057 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.003 -0.828 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.963 -1.985 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.528 -0.512 -4.896 1.00 0.00 H new ATOM 929 N LYS A 62 7.082 -1.642 -5.252 1.00 0.00 N ATOM 930 CA LYS A 62 5.936 -1.663 -6.141 1.00 0.00 C ATOM 931 C LYS A 62 4.809 -0.824 -5.566 1.00 0.00 C ATOM 932 O LYS A 62 4.502 -0.912 -4.374 1.00 0.00 O ATOM 933 CB LYS A 62 5.459 -3.100 -6.363 1.00 0.00 C ATOM 934 CG LYS A 62 6.588 -4.096 -6.567 1.00 0.00 C ATOM 935 CD LYS A 62 6.495 -4.776 -7.924 1.00 0.00 C ATOM 936 CE LYS A 62 5.052 -5.067 -8.304 1.00 0.00 C ATOM 937 NZ LYS A 62 4.281 -5.637 -7.166 1.00 0.00 N ATOM 0 H LYS A 62 6.850 -1.507 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 62 6.235 -1.241 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.863 -3.412 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.803 -3.125 -7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.546 -3.584 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.557 -4.849 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.951 -4.140 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.062 -5.707 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.574 -4.148 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.031 -5.764 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.895 -6.564 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.908 -5.750 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.500 -4.996 -6.920 1.00 0.00 H new ATOM 951 N HIS A 63 4.199 -0.006 -6.409 1.00 0.00 N ATOM 952 CA HIS A 63 3.113 0.844 -5.967 1.00 0.00 C ATOM 953 C HIS A 63 1.771 0.160 -6.205 1.00 0.00 C ATOM 954 O HIS A 63 1.288 0.090 -7.335 1.00 0.00 O ATOM 955 CB HIS A 63 3.162 2.182 -6.702 1.00 0.00 C ATOM 956 CG HIS A 63 4.477 2.882 -6.565 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.904 3.486 -5.404 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.472 3.058 -7.469 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.120 4.001 -5.633 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.510 3.768 -6.871 1.00 0.00 N ATOM 0 H HIS A 63 4.438 0.085 -7.396 1.00 0.00 H new ATOM 0 HA HIS A 63 3.224 1.025 -4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.954 2.016 -7.759 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.372 2.828 -6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.461 2.704 -8.489 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.704 4.537 -4.899 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.391 4.050 -7.302 1.00 0.00 H new ATOM 968 N TYR A 64 1.180 -0.345 -5.132 1.00 0.00 N ATOM 969 CA TYR A 64 -0.104 -1.027 -5.212 1.00 0.00 C ATOM 970 C TYR A 64 -1.245 -0.062 -4.966 1.00 0.00 C ATOM 971 O TYR A 64 -1.398 0.465 -3.867 1.00 0.00 O ATOM 972 CB TYR A 64 -0.162 -2.161 -4.191 1.00 0.00 C ATOM 973 CG TYR A 64 0.908 -3.193 -4.396 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.821 -3.061 -5.424 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.999 -4.292 -3.564 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.807 -4.006 -5.623 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.980 -5.246 -3.751 1.00 0.00 C ATOM 978 CZ TYR A 64 2.882 -5.099 -4.785 1.00 0.00 C ATOM 979 OH TYR A 64 3.861 -6.046 -4.979 1.00 0.00 O ATOM 0 H TYR A 64 1.571 -0.295 -4.191 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.206 -1.438 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.069 -1.744 -3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.138 -2.642 -4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.762 -2.206 -6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.292 -4.407 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.515 -3.890 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.041 -6.100 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 64 3.445 -6.914 -5.165 1.00 0.00 H new ATOM 989 N HIS A 65 -2.056 0.166 -5.985 1.00 0.00 N ATOM 990 CA HIS A 65 -3.183 1.063 -5.835 1.00 0.00 C ATOM 991 C HIS A 65 -4.399 0.308 -5.357 1.00 0.00 C ATOM 992 O HIS A 65 -4.659 -0.812 -5.794 1.00 0.00 O ATOM 993 CB HIS A 65 -3.518 1.773 -7.138 1.00 0.00 C ATOM 994 CG HIS A 65 -4.054 3.134 -6.903 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.090 3.716 -5.668 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.592 4.025 -7.761 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.638 4.921 -5.805 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.963 5.163 -7.058 1.00 0.00 N ATOM 0 H HIS A 65 -1.956 -0.251 -6.910 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.899 1.813 -5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.623 1.837 -7.757 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.249 1.186 -7.694 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.757 3.302 -4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.714 3.877 -8.824 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.796 5.613 -4.991 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.160 0.930 -4.473 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.360 0.298 -3.972 1.00 0.00 C ATOM 1008 C ILE A 66 -7.515 0.611 -4.903 1.00 0.00 C ATOM 1009 O ILE A 66 -8.046 1.719 -4.895 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.710 0.775 -2.546 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.449 1.209 -1.796 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.425 -0.324 -1.779 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.199 0.482 -2.238 1.00 0.00 C ATOM 0 H ILE A 66 -4.970 1.858 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.181 -0.776 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.376 1.634 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.304 2.280 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.597 1.044 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.664 0.029 -0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.345 -0.591 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.779 -1.200 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.346 0.842 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.323 -0.588 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.026 0.667 -3.298 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.904 -0.374 -5.700 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.998 -0.198 -6.634 1.00 0.00 C ATOM 1027 C LYS A 67 -10.286 0.017 -5.866 1.00 0.00 C ATOM 1028 O LYS A 67 -10.409 -0.436 -4.729 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.118 -1.408 -7.560 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.042 -1.178 -8.745 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.348 -0.400 -9.852 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.224 0.465 -9.307 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.286 0.898 -10.380 1.00 0.00 N ATOM 0 H LYS A 67 -7.477 -1.300 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.801 0.677 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.127 -1.673 -7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.482 -2.260 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.383 -2.138 -9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.927 -0.634 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.948 -1.095 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.075 0.228 -10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.646 1.343 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.675 -0.090 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.534 1.486 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.864 0.061 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.805 1.450 -11.093 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.229 0.720 -6.486 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.509 1.024 -5.855 1.00 0.00 C ATOM 1049 C GLU A 68 -13.659 0.346 -6.596 1.00 0.00 C ATOM 1050 O GLU A 68 -13.709 0.358 -7.826 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.719 2.542 -5.860 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.867 3.147 -4.483 1.00 0.00 C ATOM 1053 CD GLU A 68 -14.320 3.246 -4.054 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -15.071 2.274 -4.284 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -14.709 4.290 -3.493 1.00 0.00 O ATOM 0 H GLU A 68 -11.129 1.092 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.495 0.648 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.875 3.013 -6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.609 2.773 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.317 2.543 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.419 4.141 -4.474 1.00 0.00 H new ATOM 1062 N THR A 69 -14.585 -0.243 -5.840 1.00 0.00 N ATOM 1063 CA THR A 69 -15.731 -0.918 -6.430 1.00 0.00 C ATOM 1064 C THR A 69 -17.030 -0.325 -5.901 1.00 0.00 C ATOM 1065 O THR A 69 -17.026 0.718 -5.247 1.00 0.00 O ATOM 1066 CB THR A 69 -15.679 -2.417 -6.129 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.457 -2.726 -4.987 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.276 -2.928 -5.881 1.00 0.00 C ATOM 0 H THR A 69 -14.561 -0.264 -4.821 1.00 0.00 H new ATOM 0 HA THR A 69 -15.695 -0.774 -7.510 1.00 0.00 H new ATOM 0 HB THR A 69 -16.074 -2.905 -7.020 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.907 -3.212 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.310 -3.998 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.662 -2.749 -6.764 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.844 -2.406 -5.027 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.601 -3.355 0.496 1.00 0.00 N ATOM 1128 CA LYS A 74 -15.882 -4.071 -0.553 1.00 0.00 C ATOM 1129 C LYS A 74 -15.717 -3.217 -1.796 1.00 0.00 C ATOM 1130 O LYS A 74 -15.885 -3.691 -2.919 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.607 -5.376 -0.891 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.124 -6.568 -0.080 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.083 -6.897 1.053 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.324 -7.611 0.544 1.00 0.00 C ATOM 1135 NZ LYS A 74 -18.952 -8.454 1.598 1.00 0.00 N ATOM 0 HA LYS A 74 -14.885 -4.305 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.676 -5.242 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.475 -5.591 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.019 -7.435 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.136 -6.355 0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.578 -7.523 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.374 -5.979 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.046 -6.875 0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.059 -8.235 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.795 -8.924 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.272 -9.173 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.228 -7.855 2.402 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.367 -1.959 -1.586 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.163 -1.041 -2.690 1.00 0.00 C ATOM 1151 C ARG A 75 -13.725 -1.087 -3.193 1.00 0.00 C ATOM 1152 O ARG A 75 -13.481 -1.199 -4.392 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.497 0.391 -2.279 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.398 0.647 -0.785 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.754 0.529 -0.107 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.608 1.679 -0.391 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.612 2.061 0.393 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.883 1.388 1.503 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -19.344 3.117 0.068 1.00 0.00 N ATOM 0 H ARG A 75 -15.219 -1.552 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.831 -1.355 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.824 1.073 -2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.508 0.626 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.704 -0.065 -0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.989 1.642 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.249 -0.382 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.614 0.438 0.970 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.424 2.219 -1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.321 0.576 1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.654 1.683 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.138 3.638 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.114 3.409 0.670 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.770 -0.947 -2.279 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.368 -0.915 -2.666 1.00 0.00 C ATOM 1175 C TYR A 76 -10.717 -2.294 -2.687 1.00 0.00 C ATOM 1176 O TYR A 76 -11.095 -3.188 -1.934 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.593 0.021 -1.745 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.360 1.269 -1.413 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.621 1.480 -1.940 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.826 2.229 -0.576 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.337 2.611 -1.643 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.534 3.374 -0.267 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.795 3.561 -0.803 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.508 4.698 -0.499 1.00 0.00 O ATOM 0 H TYR A 76 -12.940 -0.855 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.334 -0.542 -3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.345 -0.505 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.650 0.294 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.050 0.739 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.841 2.082 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.320 2.757 -2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.106 4.118 0.389 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.989 5.254 0.118 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.718 -2.437 -3.555 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.971 -3.696 -3.695 1.00 0.00 C ATOM 1196 C TYR A 77 -7.706 -3.483 -4.523 1.00 0.00 C ATOM 1197 O TYR A 77 -7.538 -2.444 -5.153 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.838 -4.787 -4.335 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.111 -4.577 -5.805 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.957 -3.560 -6.226 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.525 -5.392 -6.774 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.217 -3.354 -7.567 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.783 -5.186 -8.119 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.629 -4.169 -8.508 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.885 -3.967 -9.844 1.00 0.00 O ATOM 0 H TYR A 77 -9.402 -1.694 -4.178 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.688 -4.025 -2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.346 -5.751 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.789 -4.838 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.420 -2.918 -5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.864 -6.191 -6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.878 -2.558 -7.876 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.323 -5.821 -8.862 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.049 -3.756 -10.309 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.814 -4.471 -4.523 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.570 -4.370 -5.281 1.00 0.00 C ATOM 1217 C VAL A 78 -5.198 -5.705 -5.903 1.00 0.00 C ATOM 1218 O VAL A 78 -4.084 -6.196 -5.723 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.398 -3.900 -4.400 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.561 -2.437 -4.027 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.282 -4.771 -3.160 1.00 0.00 C ATOM 0 H VAL A 78 -6.928 -5.345 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.747 -3.632 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.474 -3.999 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.723 -2.125 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.586 -1.831 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.492 -2.304 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.449 -4.425 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.205 -4.709 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.109 -5.805 -3.457 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.137 -6.294 -6.631 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.900 -7.577 -7.270 1.00 0.00 C ATOM 1233 C ALA A 79 -7.197 -8.184 -7.775 1.00 0.00 C ATOM 1234 O ALA A 79 -7.325 -9.407 -7.826 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.238 -8.537 -6.282 1.00 0.00 C ATOM 0 H ALA A 79 -7.066 -5.904 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.240 -7.413 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.064 -9.497 -6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.287 -8.120 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.891 -8.680 -5.421 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.180 -7.347 -8.117 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.457 -7.888 -8.562 1.00 0.00 C ATOM 1243 C GLU A 80 -9.643 -9.176 -7.798 1.00 0.00 C ATOM 1244 O GLU A 80 -10.161 -10.174 -8.301 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.453 -8.146 -10.072 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.703 -6.898 -10.902 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.474 -7.129 -12.384 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.446 -7.745 -12.736 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -10.322 -6.694 -13.190 1.00 0.00 O ATOM 0 H GLU A 80 -8.118 -6.329 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.271 -7.188 -8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.492 -8.575 -10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.216 -8.888 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.727 -6.560 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.047 -6.099 -10.557 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.121 -9.131 -6.581 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.097 -10.260 -5.684 1.00 0.00 C ATOM 1258 C LYS A 81 -9.969 -10.033 -4.449 1.00 0.00 C ATOM 1259 O LYS A 81 -10.985 -10.704 -4.266 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.629 -10.489 -5.311 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.208 -9.932 -3.961 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.735 -8.491 -4.046 1.00 0.00 C ATOM 1263 CE LYS A 81 -7.323 -7.659 -2.924 1.00 0.00 C ATOM 1264 NZ LYS A 81 -6.271 -7.138 -2.020 1.00 0.00 N ATOM 0 H LYS A 81 -8.697 -8.290 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.516 -11.142 -6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.432 -11.561 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.001 -10.042 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.047 -9.995 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.409 -10.549 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.647 -8.458 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.023 -8.066 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.886 -6.826 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.027 -8.264 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.557 -6.207 -1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.139 -7.796 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.378 -7.045 -2.544 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.573 -9.082 -3.613 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.323 -8.762 -2.405 1.00 0.00 C ATOM 1280 C TYR A 82 -10.551 -7.261 -2.318 1.00 0.00 C ATOM 1281 O TYR A 82 -9.612 -6.476 -2.442 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.602 -9.222 -1.126 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.545 -10.291 -1.300 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.497 -11.110 -2.421 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.575 -10.467 -0.324 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.511 -12.064 -2.564 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -6.588 -11.419 -0.458 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.559 -12.215 -1.580 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.574 -13.165 -1.719 1.00 0.00 O ATOM 0 H TYR A 82 -8.735 -8.517 -3.750 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.271 -9.295 -2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.136 -8.352 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.351 -9.592 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.244 -10.998 -3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.594 -9.845 0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.486 -12.690 -3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.842 -11.540 0.313 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.380 -13.298 -2.670 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.793 -6.866 -2.095 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.123 -5.456 -1.984 1.00 0.00 C ATOM 1301 C VAL A 83 -12.420 -5.085 -0.540 1.00 0.00 C ATOM 1302 O VAL A 83 -12.684 -5.954 0.292 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.326 -5.082 -2.865 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.930 -5.075 -4.333 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.476 -6.039 -2.617 1.00 0.00 C ATOM 0 H VAL A 83 -12.586 -7.499 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.254 -4.897 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.655 -4.077 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.794 -4.808 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.135 -4.346 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.577 -6.066 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.321 -5.763 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.162 -7.055 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.772 -5.988 -1.569 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.371 -3.795 -0.244 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.630 -3.321 1.105 1.00 0.00 C ATOM 1317 C PHE A 84 -13.281 -1.947 1.079 1.00 0.00 C ATOM 1318 O PHE A 84 -13.514 -1.378 0.011 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.331 -3.258 1.911 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.597 -4.568 1.991 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.903 -5.060 0.896 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.596 -5.303 3.166 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.225 -6.263 0.971 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.919 -6.507 3.245 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.235 -6.986 2.148 1.00 0.00 C ATOM 0 H PHE A 84 -12.155 -3.061 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.312 -4.025 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.674 -2.512 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.558 -2.918 2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.892 -4.497 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.129 -4.932 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.689 -6.636 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.926 -7.071 4.166 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.707 -7.926 2.209 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.566 -1.419 2.263 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.185 -0.107 2.389 1.00 0.00 C ATOM 1337 C ASP A 85 -13.129 0.973 2.570 1.00 0.00 C ATOM 1338 O ASP A 85 -13.450 2.157 2.669 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.151 -0.087 3.575 1.00 0.00 C ATOM 1340 CG ASP A 85 -14.595 0.673 4.762 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -14.359 1.893 4.628 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -14.393 0.050 5.825 1.00 0.00 O ATOM 0 H ASP A 85 -13.377 -1.882 3.152 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.739 0.095 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.092 0.367 3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.374 -1.111 3.875 1.00 0.00 H new ATOM 1347 N SER A 86 -11.867 0.560 2.615 1.00 0.00 N ATOM 1348 CA SER A 86 -10.773 1.504 2.787 1.00 0.00 C ATOM 1349 C SER A 86 -9.411 0.813 2.768 1.00 0.00 C ATOM 1350 O SER A 86 -9.281 -0.385 3.078 1.00 0.00 O ATOM 1351 CB SER A 86 -10.945 2.279 4.094 1.00 0.00 C ATOM 1352 OG SER A 86 -11.015 3.674 3.854 1.00 0.00 O ATOM 0 H SER A 86 -11.579 -0.415 2.535 1.00 0.00 H new ATOM 0 HA SER A 86 -10.805 2.195 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.852 1.948 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.111 2.063 4.761 1.00 0.00 H new ATOM 0 HG SER A 86 -11.127 4.147 4.705 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.396 1.589 2.407 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.037 1.089 2.343 1.00 0.00 C ATOM 1360 C ILE A 87 -6.633 0.440 3.658 1.00 0.00 C ATOM 1361 O ILE A 87 -6.061 -0.643 3.667 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.034 2.210 2.028 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.213 2.727 0.602 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.612 1.715 2.236 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.442 2.197 -0.098 1.00 0.00 C ATOM 0 H ILE A 87 -8.494 2.572 2.154 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.015 0.351 1.541 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.225 3.037 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.263 3.816 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.332 2.461 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.910 2.518 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.484 1.402 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.421 0.869 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.495 2.612 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.387 1.110 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.332 2.486 0.461 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.924 1.089 4.797 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.571 0.549 6.107 1.00 0.00 C ATOM 1379 C PRO A 88 -7.070 -0.873 6.270 1.00 0.00 C ATOM 1380 O PRO A 88 -6.307 -1.763 6.644 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.251 1.491 7.103 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.178 2.340 6.292 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.607 2.383 4.904 1.00 0.00 C ATOM 0 HA PRO A 88 -5.492 0.499 6.254 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.797 0.930 7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.517 2.103 7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.184 1.920 6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.254 3.343 6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.385 2.494 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.917 3.217 4.775 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.333 -1.106 5.942 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.869 -2.451 6.011 1.00 0.00 C ATOM 1393 C LEU A 89 -8.198 -3.258 4.916 1.00 0.00 C ATOM 1394 O LEU A 89 -7.664 -4.348 5.157 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.388 -2.461 5.832 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.073 -1.112 6.030 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.041 -0.314 4.740 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.505 -1.308 6.504 1.00 0.00 C ATOM 0 H LEU A 89 -8.993 -0.393 5.631 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.669 -2.882 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.618 -2.824 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.816 -3.175 6.535 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.533 -0.554 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.533 0.646 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.006 -0.148 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.561 -0.866 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.979 -0.336 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.059 -1.881 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.504 -1.847 7.451 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.184 -2.682 3.712 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.530 -3.321 2.584 1.00 0.00 C ATOM 1412 C LEU A 90 -6.084 -3.632 2.956 1.00 0.00 C ATOM 1413 O LEU A 90 -5.545 -4.680 2.598 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.584 -2.414 1.355 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.157 -3.072 0.043 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.173 -2.785 -1.050 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.774 -2.591 -0.369 1.00 0.00 C ATOM 0 H LEU A 90 -8.616 -1.782 3.501 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.047 -4.249 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.602 -2.042 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.946 -1.548 1.533 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.112 -4.150 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.854 -3.261 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.145 -3.180 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.249 -1.708 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.486 -3.070 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.790 -1.510 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.053 -2.849 0.407 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.475 -2.716 3.709 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.105 -2.880 4.176 1.00 0.00 C ATOM 1431 C ILE A 91 -4.089 -3.815 5.371 1.00 0.00 C ATOM 1432 O ILE A 91 -3.336 -4.788 5.409 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.470 -1.536 4.597 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.543 -0.527 3.455 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.023 -1.744 5.020 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.897 -1.024 2.189 1.00 0.00 C ATOM 0 H ILE A 91 -5.916 -1.847 4.009 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.525 -3.290 3.349 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.031 -1.142 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.588 -0.289 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.059 0.399 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.589 -0.788 5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.986 -2.434 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.456 -2.159 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.981 -0.262 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.844 -1.236 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.397 -1.934 1.859 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.947 -3.515 6.339 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.059 -4.330 7.535 1.00 0.00 C ATOM 1450 C GLN A 92 -5.267 -5.781 7.142 1.00 0.00 C ATOM 1451 O GLN A 92 -4.770 -6.692 7.806 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.216 -3.845 8.409 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.894 -2.587 9.199 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.426 -2.491 9.570 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.069 -2.535 10.747 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.567 -2.360 8.565 1.00 0.00 N ATOM 0 H GLN A 92 -5.575 -2.711 6.316 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.138 -4.243 8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.083 -3.655 7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.494 -4.639 9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.175 -1.712 8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.496 -2.569 10.107 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.907 -2.328 7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.567 -2.291 8.754 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.987 -5.996 6.042 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.229 -7.341 5.561 1.00 0.00 C ATOM 1467 C TYR A 93 -4.934 -7.940 5.027 1.00 0.00 C ATOM 1468 O TYR A 93 -4.598 -9.084 5.333 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.293 -7.338 4.469 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.778 -7.834 3.144 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.304 -9.131 3.003 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.758 -7.004 2.033 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.826 -9.587 1.792 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.285 -7.452 0.821 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.818 -8.745 0.702 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.339 -9.195 -0.508 1.00 0.00 O ATOM 0 H TYR A 93 -6.407 -5.258 5.476 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.590 -7.948 6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.130 -7.961 4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.678 -6.325 4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.310 -9.794 3.855 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.119 -5.990 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.460 -10.599 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.279 -6.793 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.023 -9.742 -0.948 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.197 -7.157 4.236 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.931 -7.626 3.685 1.00 0.00 C ATOM 1488 C HIS A 94 -1.889 -7.759 4.786 1.00 0.00 C ATOM 1489 O HIS A 94 -1.206 -8.778 4.894 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.396 -6.663 2.629 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.250 -6.525 1.413 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.422 -7.537 0.497 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -3.955 -5.470 0.946 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.195 -7.112 -0.483 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.533 -5.860 -0.235 1.00 0.00 N ATOM 0 H HIS A 94 -4.454 -6.207 3.967 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.118 -8.597 3.226 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.275 -5.680 3.083 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.405 -6.997 2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.046 -4.501 1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.500 -7.690 -1.343 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.127 -5.278 -0.825 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.764 -6.709 5.594 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.794 -6.690 6.679 1.00 0.00 C ATOM 1506 C GLN A 95 -0.875 -7.972 7.502 1.00 0.00 C ATOM 1507 O GLN A 95 0.133 -8.458 8.016 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.037 -5.483 7.587 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.098 -4.162 6.840 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.134 -3.133 7.397 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.196 -3.152 8.583 1.00 0.00 O ATOM 1512 NE2 GLN A 95 0.320 -2.224 6.542 1.00 0.00 N ATOM 0 H GLN A 95 -2.324 -5.860 5.515 1.00 0.00 H new ATOM 0 HA GLN A 95 0.201 -6.617 6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.972 -5.628 8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.242 -5.433 8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.873 -4.333 5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.113 -3.768 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.020 -2.246 5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.969 -1.504 6.860 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.083 -8.513 7.623 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.301 -9.736 8.384 1.00 0.00 C ATOM 1523 C TYR A 96 -2.587 -10.914 7.456 1.00 0.00 C ATOM 1524 O TYR A 96 -1.708 -11.370 6.728 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.463 -9.548 9.361 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.094 -8.755 10.594 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.774 -7.406 10.502 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.066 -9.353 11.847 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.436 -6.676 11.625 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.729 -8.630 12.975 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.415 -7.292 12.859 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.079 -6.567 13.980 1.00 0.00 O ATOM 0 H TYR A 96 -2.926 -8.122 7.203 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.392 -9.954 8.945 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.281 -9.044 8.847 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.833 -10.527 9.666 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.790 -6.921 9.537 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.312 -10.400 11.941 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.189 -5.628 11.537 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.712 -9.110 13.942 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.113 -7.149 14.768 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.824 -11.400 7.493 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.231 -12.526 6.660 1.00 0.00 C ATOM 1544 C ASN A 97 -3.249 -12.746 5.514 1.00 0.00 C ATOM 1545 O ASN A 97 -2.135 -13.228 5.722 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.637 -12.292 6.103 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.676 -12.142 7.198 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.912 -13.068 7.975 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.303 -10.974 7.263 1.00 0.00 N ATOM 0 H ASN A 97 -4.563 -11.031 8.092 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.236 -13.420 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.635 -11.395 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.912 -13.126 5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.013 -10.815 7.978 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.075 -10.235 6.598 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.671 -12.394 4.304 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.818 -12.562 3.143 1.00 0.00 C ATOM 1558 C GLY A 98 -3.478 -12.082 1.865 1.00 0.00 C ATOM 1559 O GLY A 98 -4.646 -12.377 1.614 1.00 0.00 O ATOM 0 H GLY A 98 -4.589 -11.995 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.888 -12.014 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.554 -13.614 3.039 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.728 -11.341 1.057 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.264 -10.829 -0.190 1.00 0.00 C ATOM 1565 C GLY A 99 -2.215 -10.744 -1.282 1.00 0.00 C ATOM 1566 O GLY A 99 -1.058 -10.422 -1.014 1.00 0.00 O ATOM 0 H GLY A 99 -1.758 -11.086 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.079 -11.472 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.688 -9.839 -0.020 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.621 -11.027 -2.516 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.693 -10.970 -3.631 1.00 0.00 C ATOM 1572 C GLY A 100 -0.820 -9.732 -3.589 1.00 0.00 C ATOM 1573 O GLY A 100 -1.081 -8.756 -4.293 1.00 0.00 O ATOM 0 H GLY A 100 -3.574 -11.294 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.061 -11.858 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.251 -10.987 -4.567 1.00 0.00 H new ATOM 1577 N LEU A 101 0.214 -9.769 -2.756 1.00 0.00 N ATOM 1578 CA LEU A 101 1.125 -8.641 -2.617 1.00 0.00 C ATOM 1579 C LEU A 101 2.524 -9.120 -2.225 1.00 0.00 C ATOM 1580 O LEU A 101 2.669 -10.108 -1.506 1.00 0.00 O ATOM 1581 CB LEU A 101 0.582 -7.661 -1.572 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.414 -6.630 -2.107 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.748 -7.290 -2.429 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.603 -5.504 -1.101 1.00 0.00 C ATOM 0 H LEU A 101 0.442 -10.570 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 101 1.199 -8.131 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.100 -8.231 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.422 -7.132 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.012 -6.207 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.443 -6.540 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.599 -8.062 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.158 -7.741 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.314 -4.779 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.984 -5.913 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.353 -5.013 -0.920 1.00 0.00 H new ATOM 1596 N VAL A 102 3.549 -8.422 -2.711 1.00 0.00 N ATOM 1597 CA VAL A 102 4.934 -8.787 -2.419 1.00 0.00 C ATOM 1598 C VAL A 102 5.039 -9.583 -1.125 1.00 0.00 C ATOM 1599 O VAL A 102 5.842 -10.510 -1.019 1.00 0.00 O ATOM 1600 CB VAL A 102 5.847 -7.548 -2.319 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.655 -6.642 -3.523 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.592 -6.791 -1.024 1.00 0.00 C ATOM 0 H VAL A 102 3.447 -7.601 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 102 5.268 -9.405 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 102 6.883 -7.888 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.308 -5.774 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.902 -7.189 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.617 -6.312 -3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.247 -5.921 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.553 -6.464 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.793 -7.444 -0.175 1.00 0.00 H new ATOM 1612 N THR A 103 4.225 -9.218 -0.143 1.00 0.00 N ATOM 1613 CA THR A 103 4.231 -9.900 1.145 1.00 0.00 C ATOM 1614 C THR A 103 3.032 -9.476 1.984 1.00 0.00 C ATOM 1615 O THR A 103 3.160 -9.213 3.179 1.00 0.00 O ATOM 1616 CB THR A 103 5.527 -9.603 1.899 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.307 -9.608 3.299 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.138 -8.266 1.536 1.00 0.00 C ATOM 0 H THR A 103 3.553 -8.454 -0.213 1.00 0.00 H new ATOM 0 HA THR A 103 4.166 -10.973 0.962 1.00 0.00 H new ATOM 0 HB THR A 103 6.218 -10.393 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.562 -9.009 3.515 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.055 -8.118 2.107 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.367 -8.248 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.433 -7.468 1.769 1.00 0.00 H new ATOM 1626 N ARG A 104 1.869 -9.409 1.346 1.00 0.00 N ATOM 1627 CA ARG A 104 0.646 -9.016 2.032 1.00 0.00 C ATOM 1628 C ARG A 104 0.941 -7.974 3.105 1.00 0.00 C ATOM 1629 O ARG A 104 0.778 -8.235 4.297 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.026 -10.238 2.660 1.00 0.00 C ATOM 1631 CG ARG A 104 0.804 -10.899 3.748 1.00 0.00 C ATOM 1632 CD ARG A 104 0.165 -10.733 5.116 1.00 0.00 C ATOM 1633 NE ARG A 104 0.656 -11.720 6.074 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.756 -11.557 6.801 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.475 -10.448 6.681 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.138 -12.501 7.650 1.00 0.00 N ATOM 0 H ARG A 104 1.748 -9.622 0.356 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.031 -8.577 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.986 -9.938 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.234 -10.969 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.919 -11.960 3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.804 -10.466 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.369 -9.730 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.917 -10.825 5.024 1.00 0.00 H new ATOM 0 HE ARG A 104 0.125 -12.583 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.183 -9.719 6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.319 -10.325 7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.587 -13.354 7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.983 -12.374 8.207 1.00 0.00 H new ATOM 1650 N LEU A 105 1.377 -6.793 2.678 1.00 0.00 N ATOM 1651 CA LEU A 105 1.690 -5.720 3.612 1.00 0.00 C ATOM 1652 C LEU A 105 2.575 -6.240 4.734 1.00 0.00 C ATOM 1653 O LEU A 105 2.109 -6.502 5.843 1.00 0.00 O ATOM 1654 CB LEU A 105 0.401 -5.126 4.175 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.467 -4.412 3.147 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.073 -3.028 2.928 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.499 -5.172 1.831 1.00 0.00 C ATOM 0 H LEU A 105 1.521 -6.557 1.696 1.00 0.00 H new ATOM 0 HA LEU A 105 2.232 -4.936 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.183 -5.925 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.656 -4.423 4.968 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.488 -4.359 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.543 -2.509 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.056 -2.478 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.098 -3.091 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.126 -4.638 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.513 -5.255 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.906 -6.169 1.997 1.00 0.00 H new ATOM 1669 N ARG A 106 3.856 -6.404 4.426 1.00 0.00 N ATOM 1670 CA ARG A 106 4.821 -6.913 5.393 1.00 0.00 C ATOM 1671 C ARG A 106 5.127 -5.886 6.477 1.00 0.00 C ATOM 1672 O ARG A 106 5.281 -6.238 7.646 1.00 0.00 O ATOM 1673 CB ARG A 106 6.114 -7.319 4.685 1.00 0.00 C ATOM 1674 CG ARG A 106 6.791 -8.532 5.302 1.00 0.00 C ATOM 1675 CD ARG A 106 6.112 -8.950 6.596 1.00 0.00 C ATOM 1676 NE ARG A 106 7.058 -9.527 7.548 1.00 0.00 N ATOM 1677 CZ ARG A 106 6.914 -9.448 8.867 1.00 0.00 C ATOM 1678 NH1 ARG A 106 5.868 -8.821 9.386 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.817 -9.997 9.668 1.00 0.00 N ATOM 0 H ARG A 106 4.252 -6.191 3.510 1.00 0.00 H new ATOM 0 HA ARG A 106 4.378 -7.786 5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.895 -7.529 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.807 -6.478 4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.770 -9.361 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.839 -8.305 5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.626 -8.085 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.329 -9.676 6.377 1.00 0.00 H new ATOM 0 HE ARG A 106 7.873 -10.017 7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.171 -8.398 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.760 -8.762 10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.623 -10.481 9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.705 -9.936 10.680 1.00 0.00 H new ATOM 1693 N TYR A 107 5.222 -4.618 6.089 1.00 0.00 N ATOM 1694 CA TYR A 107 5.520 -3.561 7.048 1.00 0.00 C ATOM 1695 C TYR A 107 5.271 -2.178 6.469 1.00 0.00 C ATOM 1696 O TYR A 107 6.102 -1.648 5.729 1.00 0.00 O ATOM 1697 CB TYR A 107 6.976 -3.648 7.504 1.00 0.00 C ATOM 1698 CG TYR A 107 7.353 -2.542 8.462 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.812 -2.506 9.739 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.237 -1.530 8.093 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.136 -1.499 10.624 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.567 -0.519 8.976 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.013 -0.508 10.239 1.00 0.00 C ATOM 1704 OH TYR A 107 8.338 0.498 11.119 1.00 0.00 O ATOM 0 H TYR A 107 5.098 -4.300 5.128 1.00 0.00 H new ATOM 0 HA TYR A 107 4.851 -3.708 7.896 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.146 -4.612 7.983 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.629 -3.606 6.632 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.125 -3.281 10.046 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.670 -1.536 7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.705 -1.487 11.614 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.255 0.258 8.678 1.00 0.00 H new ATOM 0 HH TYR A 107 8.013 1.355 10.771 1.00 0.00 H new ATOM 1714 N PRO A 108 4.137 -1.554 6.816 1.00 0.00 N ATOM 1715 CA PRO A 108 3.819 -0.214 6.344 1.00 0.00 C ATOM 1716 C PRO A 108 4.996 0.729 6.577 1.00 0.00 C ATOM 1717 O PRO A 108 5.733 0.578 7.551 1.00 0.00 O ATOM 1718 CB PRO A 108 2.606 0.203 7.191 1.00 0.00 C ATOM 1719 CG PRO A 108 2.473 -0.837 8.255 1.00 0.00 C ATOM 1720 CD PRO A 108 3.096 -2.084 7.702 1.00 0.00 C ATOM 0 HA PRO A 108 3.610 -0.182 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.755 1.191 7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.704 0.256 6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.975 -0.524 9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.426 -1.004 8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.514 -2.712 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.373 -2.693 7.159 1.00 0.00 H new ATOM 1728 N VAL A 109 5.188 1.685 5.678 1.00 0.00 N ATOM 1729 CA VAL A 109 6.290 2.622 5.796 1.00 0.00 C ATOM 1730 C VAL A 109 5.817 4.050 5.570 1.00 0.00 C ATOM 1731 O VAL A 109 4.905 4.293 4.781 1.00 0.00 O ATOM 1732 CB VAL A 109 7.396 2.291 4.784 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.239 3.141 3.535 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.772 2.480 5.405 1.00 0.00 C ATOM 0 H VAL A 109 4.594 1.830 4.861 1.00 0.00 H new ATOM 0 HA VAL A 109 6.688 2.534 6.807 1.00 0.00 H new ATOM 0 HB VAL A 109 7.302 1.243 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.030 2.896 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.269 2.942 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.305 4.196 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.539 2.240 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 109 8.888 3.516 5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 109 8.876 1.820 6.267 1.00 0.00 H new ATOM 1744 N CYS A 110 6.441 4.992 6.265 1.00 0.00 N ATOM 1745 CA CYS A 110 6.081 6.394 6.133 1.00 0.00 C ATOM 1746 C CYS A 110 7.326 7.271 6.098 1.00 0.00 C ATOM 1747 O CYS A 110 7.787 7.759 7.129 1.00 0.00 O ATOM 1748 CB CYS A 110 5.167 6.819 7.282 1.00 0.00 C ATOM 1749 SG CYS A 110 5.474 8.492 7.895 1.00 0.00 S ATOM 0 H CYS A 110 7.197 4.809 6.924 1.00 0.00 H new ATOM 0 HA CYS A 110 5.545 6.521 5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.131 6.750 6.951 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.286 6.115 8.106 1.00 0.00 H new ATOM 0 HG CYS A 110 6.752 8.668 8.055 1.00 0.00 H new ATOM 1755 N GLY A 111 7.866 7.461 4.900 1.00 0.00 N ATOM 1756 CA GLY A 111 9.055 8.276 4.742 1.00 0.00 C ATOM 1757 C GLY A 111 8.794 9.530 3.932 1.00 0.00 C ATOM 1758 O GLY A 111 9.385 9.723 2.869 1.00 0.00 O ATOM 0 H GLY A 111 7.501 7.064 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.434 8.555 5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.833 7.688 4.255 1.00 0.00 H new