USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1034 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 47 CYS SG : rot -92:sc= 0.682 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 1.61 K(o=3.6,f=-3.7!) USER MOD Set 1.3: A 105 GLN : amide:sc= 1.27 K(o=3.6,f=-4.2!) USER MOD Set 2.1: A 90 THR OG1 : rot -77:sc= 0.583 USER MOD Set 2.2: A 91 ASN : amide:sc= 1.16 K(o=1.7,f=0.58) USER MOD Set 3.1: A 67 TYR OH : rot -118:sc= -1.5! USER MOD Set 3.2: A 72 GLN : amide:sc= 0.0615 X(o=-1.4,f=-1.9) USER MOD Set 4.1: A 37 SER OG : rot -17:sc= 0.111 USER MOD Set 4.2: A 40 ASN : amide:sc= 0.767 K(o=0.88,f=0.24) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 0.921 (180deg=0.838) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc=-0.000724 (180deg=-0.0597) USER MOD Single : A 20 SER OG : rot -84:sc= -0.258 USER MOD Single : A 21 HIS : no HD1:sc= -1.75! C(o=-1.7!,f=-4.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 33 LYS NZ :NH3+ -130:sc= 0.352 (180deg=-3.54!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= -0.0382 (180deg=-0.317) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 69:sc= 0.556 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.452 K(o=-0.45,f=-4.1!) USER MOD Single : A 58 GLN : amide:sc= 0.37 X(o=0.37,f=-0.061) USER MOD Single : A 60 HIS : no HE2:sc= -0.713 X(o=-0.71,f=-0.99) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= -1.45! (180deg=-1.94!) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 0.447 (180deg=0.132) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0451) USER MOD Single : A 73 THR OG1 : rot 29:sc= 0.132 USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0.665 (180deg=0.618) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.25 K(o=0.25,f=-0.89) USER MOD Single : A 85 THR OG1 : rot 60:sc= 0.826 USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= -0.538 (180deg=-0.665) USER MOD Single : A 92 SER OG : rot 83:sc= 0.617 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.875 K(o=-0.88,f=-2) USER MOD Single : A 112 MET CE :methyl -173:sc= -3.61! (180deg=-3.92!) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 116 SER OG : rot -7:sc= 0.402 USER MOD Single : A 117 TYR OH : rot -15:sc= -1.11 USER MOD Single : A 118 THR OG1 : rot -135:sc= 0.971 USER MOD Single : A 122 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.115) USER MOD Single : A 123 SER OG : rot -65:sc= 1.3 USER MOD Single : A 126 TYR OH : rot 11:sc= 1.26 USER MOD Single : A 130 MET CE :methyl 173:sc= -2.16 (180deg=-2.52) USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 -21.156 -7.818 -4.295 1.00 0.00 N ATOM 32 CA VAL A 3 -20.772 -8.051 -2.909 1.00 0.00 C ATOM 33 C VAL A 3 -21.973 -7.855 -1.981 1.00 0.00 C ATOM 34 O VAL A 3 -22.705 -6.871 -2.097 1.00 0.00 O ATOM 35 CB VAL A 3 -19.606 -7.117 -2.475 1.00 0.00 C ATOM 36 CG1 VAL A 3 -19.900 -5.664 -2.847 1.00 0.00 C ATOM 37 CG2 VAL A 3 -19.335 -7.244 -0.977 1.00 0.00 C ATOM 0 HA VAL A 3 -20.425 -9.082 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 3 -18.710 -7.430 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -19.069 -5.033 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -20.028 -5.584 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -20.813 -5.338 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -18.516 -6.581 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -20.231 -6.968 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -19.065 -8.274 -0.742 1.00 0.00 H new ATOM 47 N SER A 4 -22.182 -8.812 -1.080 1.00 0.00 N ATOM 48 CA SER A 4 -23.269 -8.745 -0.111 1.00 0.00 C ATOM 49 C SER A 4 -23.096 -7.521 0.797 1.00 0.00 C ATOM 50 O SER A 4 -21.973 -7.194 1.182 1.00 0.00 O ATOM 51 CB SER A 4 -23.281 -10.027 0.730 1.00 0.00 C ATOM 52 OG SER A 4 -23.202 -11.175 -0.096 1.00 0.00 O ATOM 0 H SER A 4 -21.606 -9.650 -1.002 1.00 0.00 H new ATOM 0 HA SER A 4 -24.217 -8.651 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.443 -10.017 1.427 1.00 0.00 H new ATOM 0 HB3 SER A 4 -24.192 -10.066 1.327 1.00 0.00 H new ATOM 0 HG SER A 4 -23.209 -11.981 0.462 1.00 0.00 H new ATOM 58 N PRO A 5 -24.201 -6.833 1.161 1.00 0.00 N ATOM 59 CA PRO A 5 -24.144 -5.640 2.023 1.00 0.00 C ATOM 60 C PRO A 5 -23.426 -5.926 3.345 1.00 0.00 C ATOM 61 O PRO A 5 -22.711 -5.072 3.873 1.00 0.00 O ATOM 62 CB PRO A 5 -25.627 -5.283 2.262 1.00 0.00 C ATOM 63 CG PRO A 5 -26.396 -6.499 1.849 1.00 0.00 C ATOM 64 CD PRO A 5 -25.583 -7.152 0.765 1.00 0.00 C ATOM 0 HA PRO A 5 -23.581 -4.828 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -25.809 -5.039 3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -25.922 -4.413 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -26.539 -7.176 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -27.387 -6.229 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -25.754 -8.228 0.723 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -25.825 -6.752 -0.220 1.00 0.00 H new ATOM 72 N GLU A 6 -23.615 -7.141 3.859 1.00 0.00 N ATOM 73 CA GLU A 6 -22.962 -7.576 5.093 1.00 0.00 C ATOM 74 C GLU A 6 -21.450 -7.647 4.870 1.00 0.00 C ATOM 75 O GLU A 6 -20.670 -7.093 5.641 1.00 0.00 O ATOM 76 CB GLU A 6 -23.529 -8.945 5.526 1.00 0.00 C ATOM 77 CG GLU A 6 -23.364 -9.275 7.013 1.00 0.00 C ATOM 78 CD GLU A 6 -21.927 -9.566 7.427 1.00 0.00 C ATOM 79 OE1 GLU A 6 -21.414 -10.653 7.078 1.00 0.00 O ATOM 80 OE2 GLU A 6 -21.320 -8.725 8.121 1.00 0.00 O ATOM 0 H GLU A 6 -24.219 -7.846 3.436 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.158 -6.860 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -24.590 -8.976 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -23.042 -9.725 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -23.740 -8.440 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -23.983 -10.139 7.254 1.00 0.00 H new ATOM 87 N GLU A 7 -21.056 -8.307 3.784 1.00 0.00 N ATOM 88 CA GLU A 7 -19.649 -8.403 3.387 1.00 0.00 C ATOM 89 C GLU A 7 -19.045 -7.003 3.246 1.00 0.00 C ATOM 90 O GLU A 7 -17.946 -6.734 3.727 1.00 0.00 O ATOM 91 CB GLU A 7 -19.545 -9.167 2.057 1.00 0.00 C ATOM 92 CG GLU A 7 -18.128 -9.300 1.497 1.00 0.00 C ATOM 93 CD GLU A 7 -17.277 -10.324 2.232 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.662 -11.509 2.251 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.210 -9.953 2.762 1.00 0.00 O ATOM 0 H GLU A 7 -21.698 -8.789 3.155 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.092 -8.942 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.960 -10.165 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -20.166 -8.663 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.187 -9.577 0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.635 -8.329 1.544 1.00 0.00 H new ATOM 102 N ALA A 8 -19.799 -6.111 2.604 1.00 0.00 N ATOM 103 CA ALA A 8 -19.352 -4.742 2.365 1.00 0.00 C ATOM 104 C ALA A 8 -19.052 -4.020 3.678 1.00 0.00 C ATOM 105 O ALA A 8 -17.937 -3.540 3.889 1.00 0.00 O ATOM 106 CB ALA A 8 -20.396 -3.977 1.560 1.00 0.00 C ATOM 0 H ALA A 8 -20.729 -6.316 2.238 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.427 -4.785 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -20.049 -2.958 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -20.551 -4.473 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -21.335 -3.953 2.112 1.00 0.00 H new ATOM 112 N VAL A 9 -20.048 -3.955 4.565 1.00 0.00 N ATOM 113 CA VAL A 9 -19.886 -3.280 5.855 1.00 0.00 C ATOM 114 C VAL A 9 -18.836 -3.993 6.710 1.00 0.00 C ATOM 115 O VAL A 9 -18.193 -3.378 7.565 1.00 0.00 O ATOM 116 CB VAL A 9 -21.223 -3.189 6.643 1.00 0.00 C ATOM 117 CG1 VAL A 9 -22.284 -2.448 5.832 1.00 0.00 C ATOM 118 CG2 VAL A 9 -21.722 -4.574 7.055 1.00 0.00 C ATOM 0 H VAL A 9 -20.972 -4.360 4.414 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.553 -2.265 5.639 1.00 0.00 H new ATOM 0 HB VAL A 9 -21.032 -2.621 7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.210 -2.397 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.936 -1.438 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -22.464 -2.979 4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -22.658 -4.475 7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.886 -5.181 6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -20.978 -5.055 7.690 1.00 0.00 H new ATOM 128 N LYS A 10 -18.657 -5.288 6.460 1.00 0.00 N ATOM 129 CA LYS A 10 -17.685 -6.089 7.193 1.00 0.00 C ATOM 130 C LYS A 10 -16.260 -5.664 6.833 1.00 0.00 C ATOM 131 O LYS A 10 -15.348 -5.752 7.659 1.00 0.00 O ATOM 132 CB LYS A 10 -17.905 -7.583 6.909 1.00 0.00 C ATOM 133 CG LYS A 10 -17.015 -8.516 7.725 1.00 0.00 C ATOM 134 CD LYS A 10 -17.146 -8.275 9.228 1.00 0.00 C ATOM 135 CE LYS A 10 -18.563 -8.511 9.733 1.00 0.00 C ATOM 136 NZ LYS A 10 -18.703 -8.163 11.173 1.00 0.00 N ATOM 0 H LYS A 10 -19.177 -5.805 5.751 1.00 0.00 H new ATOM 0 HA LYS A 10 -17.825 -5.921 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -18.948 -7.829 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.731 -7.769 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.275 -9.551 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.976 -8.377 7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.459 -8.934 9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.848 -7.252 9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.262 -7.915 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.832 -9.557 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.709 -8.174 11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.186 -8.857 11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.312 -7.214 11.340 1.00 0.00 H new ATOM 150 N TRP A 11 -16.075 -5.187 5.603 1.00 0.00 N ATOM 151 CA TRP A 11 -14.784 -4.640 5.184 1.00 0.00 C ATOM 152 C TRP A 11 -14.433 -3.422 6.037 1.00 0.00 C ATOM 153 O TRP A 11 -13.263 -3.155 6.312 1.00 0.00 O ATOM 154 CB TRP A 11 -14.810 -4.226 3.705 1.00 0.00 C ATOM 155 CG TRP A 11 -15.060 -5.348 2.745 1.00 0.00 C ATOM 156 CD1 TRP A 11 -14.981 -6.686 2.999 1.00 0.00 C ATOM 157 CD2 TRP A 11 -15.409 -5.222 1.361 1.00 0.00 C ATOM 158 NE1 TRP A 11 -15.277 -7.398 1.865 1.00 0.00 N ATOM 159 CE2 TRP A 11 -15.541 -6.521 0.845 1.00 0.00 C ATOM 160 CE3 TRP A 11 -15.632 -4.131 0.511 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -15.881 -6.762 -0.481 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -15.967 -4.374 -0.809 1.00 0.00 C ATOM 163 CH2 TRP A 11 -16.090 -5.681 -1.292 1.00 0.00 C ATOM 0 H TRP A 11 -16.797 -5.168 4.883 1.00 0.00 H new ATOM 0 HA TRP A 11 -14.032 -5.418 5.317 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -15.582 -3.469 3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.857 -3.758 3.456 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -14.723 -7.121 3.953 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -15.297 -8.415 1.792 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -15.544 -3.120 0.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -15.977 -7.769 -0.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -16.136 -3.542 -1.477 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -16.356 -5.840 -2.327 1.00 0.00 H new ATOM 174 N GLY A 12 -15.468 -2.697 6.468 1.00 0.00 N ATOM 175 CA GLY A 12 -15.282 -1.452 7.200 1.00 0.00 C ATOM 176 C GLY A 12 -14.506 -1.620 8.493 1.00 0.00 C ATOM 177 O GLY A 12 -14.020 -0.639 9.062 1.00 0.00 O ATOM 0 H GLY A 12 -16.444 -2.955 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.759 -0.739 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.258 -1.023 7.425 1.00 0.00 H new ATOM 181 N GLU A 13 -14.394 -2.858 8.964 1.00 0.00 N ATOM 182 CA GLU A 13 -13.673 -3.152 10.201 1.00 0.00 C ATOM 183 C GLU A 13 -12.458 -4.044 9.929 1.00 0.00 C ATOM 184 O GLU A 13 -11.758 -4.452 10.858 1.00 0.00 O ATOM 185 CB GLU A 13 -14.621 -3.824 11.208 1.00 0.00 C ATOM 186 CG GLU A 13 -15.226 -5.131 10.706 1.00 0.00 C ATOM 187 CD GLU A 13 -16.294 -5.686 11.636 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.937 -6.286 12.671 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.499 -5.532 11.329 1.00 0.00 O ATOM 0 H GLU A 13 -14.794 -3.677 8.507 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.311 -2.215 10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.076 -4.018 12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.427 -3.132 11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.660 -4.969 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.434 -5.870 10.589 1.00 0.00 H new ATOM 196 N SER A 14 -12.204 -4.337 8.652 1.00 0.00 N ATOM 197 CA SER A 14 -11.096 -5.208 8.264 1.00 0.00 C ATOM 198 C SER A 14 -10.585 -4.861 6.858 1.00 0.00 C ATOM 199 O SER A 14 -11.152 -5.297 5.853 1.00 0.00 O ATOM 200 CB SER A 14 -11.544 -6.676 8.312 1.00 0.00 C ATOM 201 OG SER A 14 -12.023 -7.034 9.602 1.00 0.00 O ATOM 0 H SER A 14 -12.753 -3.982 7.869 1.00 0.00 H new ATOM 0 HA SER A 14 -10.279 -5.055 8.969 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.328 -6.842 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.708 -7.321 8.041 1.00 0.00 H new ATOM 0 HG SER A 14 -12.302 -7.974 9.598 1.00 0.00 H new ATOM 207 N PHE A 15 -9.505 -4.079 6.796 1.00 0.00 N ATOM 208 CA PHE A 15 -8.889 -3.703 5.521 1.00 0.00 C ATOM 209 C PHE A 15 -8.324 -4.947 4.840 1.00 0.00 C ATOM 210 O PHE A 15 -8.370 -5.084 3.615 1.00 0.00 O ATOM 211 CB PHE A 15 -7.774 -2.668 5.748 1.00 0.00 C ATOM 212 CG PHE A 15 -7.131 -2.154 4.477 1.00 0.00 C ATOM 213 CD1 PHE A 15 -6.055 -2.816 3.902 1.00 0.00 C ATOM 214 CD2 PHE A 15 -7.600 -1.003 3.861 1.00 0.00 C ATOM 215 CE1 PHE A 15 -5.466 -2.344 2.742 1.00 0.00 C ATOM 216 CE2 PHE A 15 -7.013 -0.527 2.703 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.945 -1.198 2.144 1.00 0.00 C ATOM 0 H PHE A 15 -9.038 -3.693 7.616 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.647 -3.255 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.186 -1.823 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.003 -3.114 6.376 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.672 -3.713 4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.435 -0.471 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.632 -2.873 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.391 0.371 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.485 -0.826 1.240 1.00 0.00 H new ATOM 227 N ASP A 16 -7.803 -5.854 5.658 1.00 0.00 N ATOM 228 CA ASP A 16 -7.270 -7.128 5.181 1.00 0.00 C ATOM 229 C ASP A 16 -8.353 -7.915 4.450 1.00 0.00 C ATOM 230 O ASP A 16 -8.073 -8.638 3.493 1.00 0.00 O ATOM 231 CB ASP A 16 -6.734 -7.951 6.362 1.00 0.00 C ATOM 232 CG ASP A 16 -7.825 -8.308 7.362 1.00 0.00 C ATOM 233 OD1 ASP A 16 -8.287 -7.405 8.092 1.00 0.00 O ATOM 234 OD2 ASP A 16 -8.233 -9.487 7.417 1.00 0.00 O ATOM 0 H ASP A 16 -7.737 -5.729 6.668 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.453 -6.926 4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.276 -8.866 5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.951 -7.387 6.869 1.00 0.00 H new ATOM 239 N LYS A 17 -9.594 -7.755 4.900 1.00 0.00 N ATOM 240 CA LYS A 17 -10.727 -8.451 4.303 1.00 0.00 C ATOM 241 C LYS A 17 -11.053 -7.840 2.945 1.00 0.00 C ATOM 242 O LYS A 17 -11.376 -8.548 1.991 1.00 0.00 O ATOM 243 CB LYS A 17 -11.941 -8.377 5.232 1.00 0.00 C ATOM 244 CG LYS A 17 -13.077 -9.312 4.843 1.00 0.00 C ATOM 245 CD LYS A 17 -14.201 -9.291 5.870 1.00 0.00 C ATOM 246 CE LYS A 17 -13.711 -9.675 7.267 1.00 0.00 C ATOM 247 NZ LYS A 17 -13.125 -11.042 7.304 1.00 0.00 N ATOM 0 H LYS A 17 -9.840 -7.146 5.680 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.467 -9.500 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.623 -8.612 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.315 -7.353 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.469 -9.022 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.694 -10.328 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.643 -8.295 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.987 -9.979 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.965 -8.953 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.543 -9.620 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.901 -11.297 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.809 -11.723 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.255 -11.062 6.734 1.00 0.00 H new ATOM 261 N LEU A 18 -10.953 -6.516 2.876 1.00 0.00 N ATOM 262 CA LEU A 18 -11.115 -5.784 1.625 1.00 0.00 C ATOM 263 C LEU A 18 -10.131 -6.309 0.582 1.00 0.00 C ATOM 264 O LEU A 18 -10.508 -6.652 -0.539 1.00 0.00 O ATOM 265 CB LEU A 18 -10.861 -4.288 1.862 1.00 0.00 C ATOM 266 CG LEU A 18 -10.887 -3.400 0.604 1.00 0.00 C ATOM 267 CD1 LEU A 18 -12.320 -3.093 0.179 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.095 -2.114 0.831 1.00 0.00 C ATOM 0 H LEU A 18 -10.758 -5.923 3.682 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.133 -5.926 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.610 -3.917 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.890 -4.175 2.345 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.410 -3.951 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.309 -2.465 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.842 -4.024 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.835 -2.570 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.127 -1.503 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.532 -1.559 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.059 -2.361 1.065 1.00 0.00 H new ATOM 280 N LEU A 19 -8.867 -6.387 0.987 1.00 0.00 N ATOM 281 CA LEU A 19 -7.778 -6.769 0.094 1.00 0.00 C ATOM 282 C LEU A 19 -7.852 -8.253 -0.280 1.00 0.00 C ATOM 283 O LEU A 19 -7.459 -8.643 -1.380 1.00 0.00 O ATOM 284 CB LEU A 19 -6.432 -6.444 0.762 1.00 0.00 C ATOM 285 CG LEU A 19 -5.182 -6.632 -0.116 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.268 -5.780 -1.382 1.00 0.00 C ATOM 287 CD2 LEU A 19 -3.918 -6.291 0.673 1.00 0.00 C ATOM 0 H LEU A 19 -8.569 -6.188 1.942 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.871 -6.198 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.459 -5.410 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.328 -7.071 1.648 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.134 -7.679 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.372 -5.932 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.146 -6.072 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.347 -4.728 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.044 -6.429 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.965 -5.254 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.843 -6.946 1.541 1.00 0.00 H new ATOM 299 N SER A 20 -8.359 -9.079 0.634 1.00 0.00 N ATOM 300 CA SER A 20 -8.470 -10.516 0.384 1.00 0.00 C ATOM 301 C SER A 20 -9.717 -10.837 -0.445 1.00 0.00 C ATOM 302 O SER A 20 -9.760 -11.847 -1.153 1.00 0.00 O ATOM 303 CB SER A 20 -8.491 -11.288 1.711 1.00 0.00 C ATOM 304 OG SER A 20 -9.498 -10.795 2.578 1.00 0.00 O ATOM 0 H SER A 20 -8.698 -8.781 1.549 1.00 0.00 H new ATOM 0 HA SER A 20 -7.597 -10.829 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.663 -12.347 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.519 -11.207 2.197 1.00 0.00 H new ATOM 0 HG SER A 20 -9.153 -10.024 3.075 1.00 0.00 H new ATOM 310 N HIS A 21 -10.728 -9.976 -0.362 1.00 0.00 N ATOM 311 CA HIS A 21 -11.961 -10.176 -1.117 1.00 0.00 C ATOM 312 C HIS A 21 -11.793 -9.595 -2.517 1.00 0.00 C ATOM 313 O HIS A 21 -11.587 -8.394 -2.665 1.00 0.00 O ATOM 314 CB HIS A 21 -13.154 -9.514 -0.405 1.00 0.00 C ATOM 315 CG HIS A 21 -14.485 -10.057 -0.831 1.00 0.00 C ATOM 316 ND1 HIS A 21 -15.263 -9.483 -1.816 1.00 0.00 N ATOM 317 CD2 HIS A 21 -15.178 -11.134 -0.388 1.00 0.00 C ATOM 318 CE1 HIS A 21 -16.374 -10.183 -1.957 1.00 0.00 C ATOM 319 NE2 HIS A 21 -16.345 -11.188 -1.106 1.00 0.00 N ATOM 0 H HIS A 21 -10.718 -9.137 0.218 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.164 -11.245 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.044 -9.648 0.671 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.131 -8.441 -0.596 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -14.869 -11.821 0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.172 -9.968 -2.653 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.074 -11.893 -0.998 1.00 0.00 H new ATOM 328 N ARG A 22 -11.890 -10.453 -3.531 1.00 0.00 N ATOM 329 CA ARG A 22 -11.693 -10.062 -4.935 1.00 0.00 C ATOM 330 C ARG A 22 -12.366 -8.724 -5.251 1.00 0.00 C ATOM 331 O ARG A 22 -11.720 -7.794 -5.732 1.00 0.00 O ATOM 332 CB ARG A 22 -12.258 -11.150 -5.856 1.00 0.00 C ATOM 333 CG ARG A 22 -11.584 -12.512 -5.698 1.00 0.00 C ATOM 334 CD ARG A 22 -12.392 -13.615 -6.372 1.00 0.00 C ATOM 335 NE ARG A 22 -13.721 -13.761 -5.765 1.00 0.00 N ATOM 336 CZ ARG A 22 -14.870 -13.742 -6.445 1.00 0.00 C ATOM 337 NH1 ARG A 22 -14.871 -13.603 -7.764 1.00 0.00 N ATOM 338 NH2 ARG A 22 -16.022 -13.867 -5.804 1.00 0.00 N ATOM 0 H ARG A 22 -12.108 -11.442 -3.407 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.622 -9.947 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.325 -11.259 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.156 -10.824 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.584 -12.477 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.467 -12.741 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.499 -13.391 -7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.852 -14.559 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.770 -13.886 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.989 -13.509 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.754 -13.590 -8.275 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.032 -13.978 -4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.899 -13.852 -6.324 1.00 0.00 H new ATOM 352 N ASP A 23 -13.664 -8.640 -4.968 1.00 0.00 N ATOM 353 CA ASP A 23 -14.443 -7.423 -5.219 1.00 0.00 C ATOM 354 C ASP A 23 -13.841 -6.221 -4.495 1.00 0.00 C ATOM 355 O ASP A 23 -13.845 -5.107 -5.016 1.00 0.00 O ATOM 356 CB ASP A 23 -15.897 -7.618 -4.769 1.00 0.00 C ATOM 357 CG ASP A 23 -16.581 -8.762 -5.495 1.00 0.00 C ATOM 358 OD1 ASP A 23 -16.345 -9.930 -5.118 1.00 0.00 O ATOM 359 OD2 ASP A 23 -17.341 -8.505 -6.452 1.00 0.00 O ATOM 0 H ASP A 23 -14.204 -9.404 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.418 -7.229 -6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.920 -7.808 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.454 -6.697 -4.942 1.00 0.00 H new ATOM 364 N GLY A 24 -13.316 -6.461 -3.298 1.00 0.00 N ATOM 365 CA GLY A 24 -12.744 -5.392 -2.500 1.00 0.00 C ATOM 366 C GLY A 24 -11.429 -4.910 -3.072 1.00 0.00 C ATOM 367 O GLY A 24 -11.230 -3.712 -3.283 1.00 0.00 O ATOM 0 H GLY A 24 -13.277 -7.383 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.446 -4.560 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.591 -5.742 -1.479 1.00 0.00 H new ATOM 371 N LEU A 25 -10.538 -5.862 -3.324 1.00 0.00 N ATOM 372 CA LEU A 25 -9.244 -5.592 -3.938 1.00 0.00 C ATOM 373 C LEU A 25 -9.429 -4.832 -5.251 1.00 0.00 C ATOM 374 O LEU A 25 -8.778 -3.810 -5.484 1.00 0.00 O ATOM 375 CB LEU A 25 -8.501 -6.929 -4.155 1.00 0.00 C ATOM 376 CG LEU A 25 -7.166 -6.870 -4.933 1.00 0.00 C ATOM 377 CD1 LEU A 25 -6.227 -7.986 -4.477 1.00 0.00 C ATOM 378 CD2 LEU A 25 -7.407 -6.983 -6.441 1.00 0.00 C ATOM 0 H LEU A 25 -10.694 -6.846 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.644 -4.963 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.305 -7.370 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.171 -7.608 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.701 -5.907 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.293 -7.927 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.020 -7.875 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.697 -8.953 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.453 -6.939 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.899 -7.931 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.041 -6.160 -6.771 1.00 0.00 H new ATOM 390 N GLU A 26 -10.338 -5.327 -6.086 1.00 0.00 N ATOM 391 CA GLU A 26 -10.617 -4.719 -7.386 1.00 0.00 C ATOM 392 C GLU A 26 -11.127 -3.286 -7.213 1.00 0.00 C ATOM 393 O GLU A 26 -10.605 -2.347 -7.824 1.00 0.00 O ATOM 394 CB GLU A 26 -11.654 -5.558 -8.150 1.00 0.00 C ATOM 395 CG GLU A 26 -11.927 -5.072 -9.573 1.00 0.00 C ATOM 396 CD GLU A 26 -10.744 -5.284 -10.508 1.00 0.00 C ATOM 397 OE1 GLU A 26 -9.795 -4.475 -10.479 1.00 0.00 O ATOM 398 OE2 GLU A 26 -10.763 -6.263 -11.286 1.00 0.00 O ATOM 0 H GLU A 26 -10.899 -6.155 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.690 -4.690 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.310 -6.591 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.590 -5.555 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.796 -5.596 -9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.178 -4.012 -9.548 1.00 0.00 H new ATOM 405 N ALA A 27 -12.139 -3.128 -6.363 1.00 0.00 N ATOM 406 CA ALA A 27 -12.762 -1.827 -6.133 1.00 0.00 C ATOM 407 C ALA A 27 -11.754 -0.817 -5.587 1.00 0.00 C ATOM 408 O ALA A 27 -11.726 0.342 -6.010 1.00 0.00 O ATOM 409 CB ALA A 27 -13.943 -1.970 -5.175 1.00 0.00 C ATOM 0 H ALA A 27 -12.547 -3.889 -5.820 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.124 -1.453 -7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.399 -0.994 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.681 -2.648 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.593 -2.371 -4.224 1.00 0.00 H new ATOM 415 N PHE A 28 -10.911 -1.267 -4.665 1.00 0.00 N ATOM 416 CA PHE A 28 -9.966 -0.381 -3.999 1.00 0.00 C ATOM 417 C PHE A 28 -8.806 -0.018 -4.922 1.00 0.00 C ATOM 418 O PHE A 28 -8.384 1.139 -4.971 1.00 0.00 O ATOM 419 CB PHE A 28 -9.436 -1.025 -2.712 1.00 0.00 C ATOM 420 CG PHE A 28 -8.543 -0.111 -1.906 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.089 0.898 -1.120 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.161 -0.255 -1.935 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.277 1.739 -0.384 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.347 0.586 -1.199 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.906 1.583 -0.423 1.00 0.00 C ATOM 0 H PHE A 28 -10.863 -2.240 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.496 0.536 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.280 -1.333 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.882 -1.928 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.161 1.026 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.718 -1.033 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.715 2.519 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.274 0.464 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.271 2.240 0.153 1.00 0.00 H new ATOM 435 N THR A 29 -8.295 -1.001 -5.660 1.00 0.00 N ATOM 436 CA THR A 29 -7.141 -0.771 -6.520 1.00 0.00 C ATOM 437 C THR A 29 -7.493 0.223 -7.633 1.00 0.00 C ATOM 438 O THR A 29 -6.730 1.152 -7.903 1.00 0.00 O ATOM 439 CB THR A 29 -6.576 -2.092 -7.116 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.291 -1.859 -7.710 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.510 -2.694 -8.164 1.00 0.00 C ATOM 0 H THR A 29 -8.658 -1.954 -5.679 1.00 0.00 H new ATOM 0 HA THR A 29 -6.354 -0.342 -5.899 1.00 0.00 H new ATOM 0 HB THR A 29 -6.485 -2.801 -6.293 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.945 -2.698 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.075 -3.615 -8.553 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.476 -2.913 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.647 -1.984 -8.980 1.00 0.00 H new ATOM 449 N ARG A 30 -8.670 0.060 -8.245 1.00 0.00 N ATOM 450 CA ARG A 30 -9.108 0.963 -9.310 1.00 0.00 C ATOM 451 C ARG A 30 -9.374 2.354 -8.739 1.00 0.00 C ATOM 452 O ARG A 30 -9.142 3.368 -9.400 1.00 0.00 O ATOM 453 CB ARG A 30 -10.356 0.401 -10.031 1.00 0.00 C ATOM 454 CG ARG A 30 -11.631 0.331 -9.178 1.00 0.00 C ATOM 455 CD ARG A 30 -12.472 1.605 -9.280 1.00 0.00 C ATOM 456 NE ARG A 30 -12.995 1.805 -10.633 1.00 0.00 N ATOM 457 CZ ARG A 30 -13.380 2.982 -11.132 1.00 0.00 C ATOM 458 NH1 ARG A 30 -13.292 4.091 -10.404 1.00 0.00 N ATOM 459 NH2 ARG A 30 -13.855 3.046 -12.368 1.00 0.00 N ATOM 0 H ARG A 30 -9.331 -0.684 -8.022 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.313 1.044 -10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.558 1.018 -10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.126 -0.601 -10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.230 -0.523 -9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.359 0.161 -8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.301 1.551 -8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.866 2.465 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.071 0.987 -11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.927 4.049 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.589 4.984 -10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.925 2.199 -12.932 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.151 3.942 -12.755 1.00 0.00 H new ATOM 473 N PHE A 31 -9.840 2.389 -7.493 1.00 0.00 N ATOM 474 CA PHE A 31 -10.116 3.640 -6.800 1.00 0.00 C ATOM 475 C PHE A 31 -8.823 4.414 -6.559 1.00 0.00 C ATOM 476 O PHE A 31 -8.729 5.599 -6.867 1.00 0.00 O ATOM 477 CB PHE A 31 -10.827 3.357 -5.467 1.00 0.00 C ATOM 478 CG PHE A 31 -11.122 4.590 -4.646 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.205 5.404 -4.953 1.00 0.00 C ATOM 480 CD2 PHE A 31 -10.317 4.937 -3.567 1.00 0.00 C ATOM 481 CE1 PHE A 31 -12.478 6.531 -4.202 1.00 0.00 C ATOM 482 CE2 PHE A 31 -10.588 6.064 -2.816 1.00 0.00 C ATOM 483 CZ PHE A 31 -11.669 6.862 -3.133 1.00 0.00 C ATOM 0 H PHE A 31 -10.035 1.555 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.769 4.249 -7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.764 2.838 -5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.210 2.680 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -12.841 5.153 -5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.469 4.318 -3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.325 7.154 -4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.954 6.321 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.882 7.743 -2.546 1.00 0.00 H new ATOM 493 N LEU A 32 -7.818 3.733 -6.028 1.00 0.00 N ATOM 494 CA LEU A 32 -6.558 4.379 -5.669 1.00 0.00 C ATOM 495 C LEU A 32 -5.796 4.826 -6.923 1.00 0.00 C ATOM 496 O LEU A 32 -5.012 5.779 -6.887 1.00 0.00 O ATOM 497 CB LEU A 32 -5.700 3.424 -4.825 1.00 0.00 C ATOM 498 CG LEU A 32 -4.521 4.071 -4.081 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.014 5.136 -3.103 1.00 0.00 C ATOM 500 CD2 LEU A 32 -3.698 3.011 -3.351 1.00 0.00 C ATOM 0 H LEU A 32 -7.848 2.732 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.780 5.268 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.344 2.936 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.310 2.643 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.881 4.556 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.162 5.580 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.552 5.911 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.681 4.678 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.868 3.489 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.330 2.494 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.308 2.293 -4.072 1.00 0.00 H new ATOM 512 N LYS A 33 -6.048 4.141 -8.038 1.00 0.00 N ATOM 513 CA LYS A 33 -5.383 4.451 -9.304 1.00 0.00 C ATOM 514 C LYS A 33 -6.108 5.568 -10.064 1.00 0.00 C ATOM 515 O LYS A 33 -5.664 5.978 -11.137 1.00 0.00 O ATOM 516 CB LYS A 33 -5.285 3.192 -10.183 1.00 0.00 C ATOM 517 CG LYS A 33 -4.426 2.084 -9.577 1.00 0.00 C ATOM 518 CD LYS A 33 -4.332 0.865 -10.491 1.00 0.00 C ATOM 519 CE LYS A 33 -3.523 -0.265 -9.855 1.00 0.00 C ATOM 520 NZ LYS A 33 -2.128 0.142 -9.536 1.00 0.00 N ATOM 0 H LYS A 33 -6.709 3.366 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.378 4.802 -9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.288 2.805 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.873 3.469 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.425 2.468 -9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.846 1.785 -8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.335 0.507 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.871 1.154 -11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.020 -0.594 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.503 -1.119 -10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.465 -0.564 -9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.930 1.068 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.012 0.206 -8.504 1.00 0.00 H new ATOM 534 N THR A 34 -7.215 6.069 -9.505 1.00 0.00 N ATOM 535 CA THR A 34 -7.973 7.142 -10.153 1.00 0.00 C ATOM 536 C THR A 34 -7.180 8.453 -10.114 1.00 0.00 C ATOM 537 O THR A 34 -7.253 9.267 -11.040 1.00 0.00 O ATOM 538 CB THR A 34 -9.374 7.348 -9.501 1.00 0.00 C ATOM 539 OG1 THR A 34 -10.243 8.052 -10.405 1.00 0.00 O ATOM 540 CG2 THR A 34 -9.283 8.136 -8.194 1.00 0.00 C ATOM 0 H THR A 34 -7.602 5.753 -8.616 1.00 0.00 H new ATOM 0 HA THR A 34 -8.132 6.844 -11.189 1.00 0.00 H new ATOM 0 HB THR A 34 -9.775 6.358 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.121 8.175 -9.986 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.281 8.257 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.653 7.596 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.850 9.117 -8.390 1.00 0.00 H new ATOM 548 N GLU A 35 -6.410 8.643 -9.040 1.00 0.00 N ATOM 549 CA GLU A 35 -5.576 9.835 -8.878 1.00 0.00 C ATOM 550 C GLU A 35 -4.102 9.444 -8.788 1.00 0.00 C ATOM 551 O GLU A 35 -3.262 10.234 -8.351 1.00 0.00 O ATOM 552 CB GLU A 35 -6.005 10.622 -7.630 1.00 0.00 C ATOM 553 CG GLU A 35 -5.969 9.814 -6.335 1.00 0.00 C ATOM 554 CD GLU A 35 -6.379 10.638 -5.124 1.00 0.00 C ATOM 555 OE1 GLU A 35 -7.572 10.992 -5.019 1.00 0.00 O ATOM 556 OE2 GLU A 35 -5.510 10.939 -4.276 1.00 0.00 O ATOM 0 H GLU A 35 -6.347 7.982 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.709 10.475 -9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.355 11.490 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.017 10.998 -7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.633 8.955 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.963 9.424 -6.182 1.00 0.00 H new ATOM 563 N PHE A 36 -3.810 8.215 -9.209 1.00 0.00 N ATOM 564 CA PHE A 36 -2.442 7.697 -9.261 1.00 0.00 C ATOM 565 C PHE A 36 -1.780 7.687 -7.882 1.00 0.00 C ATOM 566 O PHE A 36 -0.556 7.758 -7.773 1.00 0.00 O ATOM 567 CB PHE A 36 -1.601 8.504 -10.261 1.00 0.00 C ATOM 568 CG PHE A 36 -2.134 8.432 -11.671 1.00 0.00 C ATOM 569 CD1 PHE A 36 -1.985 7.273 -12.421 1.00 0.00 C ATOM 570 CD2 PHE A 36 -2.789 9.515 -12.241 1.00 0.00 C ATOM 571 CE1 PHE A 36 -2.476 7.197 -13.709 1.00 0.00 C ATOM 572 CE2 PHE A 36 -3.281 9.442 -13.530 1.00 0.00 C ATOM 573 CZ PHE A 36 -3.125 8.282 -14.263 1.00 0.00 C ATOM 0 H PHE A 36 -4.515 7.549 -9.524 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.496 6.662 -9.600 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.569 9.546 -9.943 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.576 8.135 -10.247 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.479 6.421 -11.992 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.915 10.424 -11.671 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.353 6.290 -14.282 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.787 10.292 -13.964 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.511 8.224 -15.270 1.00 0.00 H new ATOM 583 N SER A 37 -2.586 7.546 -6.829 1.00 0.00 N ATOM 584 CA SER A 37 -2.053 7.407 -5.475 1.00 0.00 C ATOM 585 C SER A 37 -1.653 5.945 -5.250 1.00 0.00 C ATOM 586 O SER A 37 -1.234 5.543 -4.158 1.00 0.00 O ATOM 587 CB SER A 37 -3.091 7.862 -4.434 1.00 0.00 C ATOM 588 OG SER A 37 -2.528 7.908 -3.133 1.00 0.00 O ATOM 0 H SER A 37 -3.604 7.525 -6.887 1.00 0.00 H new ATOM 0 HA SER A 37 -1.175 8.043 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.472 8.847 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.940 7.179 -4.441 1.00 0.00 H new ATOM 0 HG SER A 37 -1.693 7.395 -3.120 1.00 0.00 H new ATOM 594 N GLU A 38 -1.775 5.164 -6.326 1.00 0.00 N ATOM 595 CA GLU A 38 -1.450 3.744 -6.339 1.00 0.00 C ATOM 596 C GLU A 38 -0.008 3.492 -5.899 1.00 0.00 C ATOM 597 O GLU A 38 0.338 2.384 -5.494 1.00 0.00 O ATOM 598 CB GLU A 38 -1.673 3.197 -7.752 1.00 0.00 C ATOM 599 CG GLU A 38 -0.728 3.790 -8.791 1.00 0.00 C ATOM 600 CD GLU A 38 -1.058 3.357 -10.210 1.00 0.00 C ATOM 601 OE1 GLU A 38 -0.720 2.216 -10.590 1.00 0.00 O ATOM 602 OE2 GLU A 38 -1.648 4.162 -10.957 1.00 0.00 O ATOM 0 H GLU A 38 -2.108 5.511 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.101 3.231 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.550 2.114 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.702 3.397 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.767 4.878 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.294 3.494 -8.555 1.00 0.00 H new ATOM 609 N GLU A 39 0.817 4.536 -5.966 1.00 0.00 N ATOM 610 CA GLU A 39 2.222 4.454 -5.567 1.00 0.00 C ATOM 611 C GLU A 39 2.373 3.725 -4.228 1.00 0.00 C ATOM 612 O GLU A 39 3.353 3.020 -4.004 1.00 0.00 O ATOM 613 CB GLU A 39 2.820 5.867 -5.461 1.00 0.00 C ATOM 614 CG GLU A 39 2.592 6.741 -6.695 1.00 0.00 C ATOM 615 CD GLU A 39 3.230 6.180 -7.958 1.00 0.00 C ATOM 616 OE1 GLU A 39 4.428 6.453 -8.200 1.00 0.00 O ATOM 617 OE2 GLU A 39 2.537 5.478 -8.728 1.00 0.00 O ATOM 0 H GLU A 39 0.533 5.458 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 39 2.759 3.888 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.391 6.366 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.892 5.783 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.520 6.855 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.993 7.737 -6.505 1.00 0.00 H new ATOM 624 N ASN A 40 1.380 3.890 -3.353 1.00 0.00 N ATOM 625 CA ASN A 40 1.403 3.282 -2.021 1.00 0.00 C ATOM 626 C ASN A 40 1.171 1.766 -2.089 1.00 0.00 C ATOM 627 O ASN A 40 1.906 0.983 -1.469 1.00 0.00 O ATOM 628 CB ASN A 40 0.345 3.933 -1.114 1.00 0.00 C ATOM 629 CG ASN A 40 0.612 5.410 -0.856 1.00 0.00 C ATOM 630 OD1 ASN A 40 1.345 5.766 0.066 1.00 0.00 O ATOM 631 ND2 ASN A 40 0.005 6.281 -1.654 1.00 0.00 N ATOM 0 H ASN A 40 0.545 4.443 -3.544 1.00 0.00 H new ATOM 0 HA ASN A 40 2.393 3.455 -1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.637 3.821 -1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.314 3.403 -0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.140 7.282 -1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.596 5.949 -2.408 1.00 0.00 H new ATOM 638 N ILE A 41 0.153 1.345 -2.843 1.00 0.00 N ATOM 639 CA ILE A 41 -0.189 -0.075 -2.927 1.00 0.00 C ATOM 640 C ILE A 41 0.880 -0.824 -3.720 1.00 0.00 C ATOM 641 O ILE A 41 1.359 -1.876 -3.288 1.00 0.00 O ATOM 642 CB ILE A 41 -1.611 -0.314 -3.527 1.00 0.00 C ATOM 643 CG1 ILE A 41 -1.968 -1.811 -3.514 1.00 0.00 C ATOM 644 CG2 ILE A 41 -1.729 0.256 -4.937 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.361 -2.119 -4.032 1.00 0.00 C ATOM 0 H ILE A 41 -0.442 1.960 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.217 -0.468 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.325 0.215 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.239 -2.353 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.880 -2.186 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.732 0.071 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.542 1.330 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.997 -0.224 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.535 -3.194 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.100 -1.607 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.450 -1.777 -5.063 1.00 0.00 H new ATOM 657 N GLU A 42 1.288 -0.253 -4.855 1.00 0.00 N ATOM 658 CA GLU A 42 2.390 -0.807 -5.639 1.00 0.00 C ATOM 659 C GLU A 42 3.694 -0.769 -4.839 1.00 0.00 C ATOM 660 O GLU A 42 4.611 -1.539 -5.115 1.00 0.00 O ATOM 661 CB GLU A 42 2.567 -0.058 -6.975 1.00 0.00 C ATOM 662 CG GLU A 42 1.783 -0.657 -8.144 1.00 0.00 C ATOM 663 CD GLU A 42 0.278 -0.635 -7.942 1.00 0.00 C ATOM 664 OE1 GLU A 42 -0.275 0.457 -7.733 1.00 0.00 O ATOM 665 OE2 GLU A 42 -0.366 -1.701 -8.035 1.00 0.00 O ATOM 0 H GLU A 42 0.872 0.591 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 42 2.142 -1.844 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.259 0.979 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.626 -0.045 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.027 -0.108 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.106 -1.687 -8.297 1.00 0.00 H new ATOM 672 N PHE A 43 3.771 0.129 -3.851 1.00 0.00 N ATOM 673 CA PHE A 43 4.948 0.219 -2.990 1.00 0.00 C ATOM 674 C PHE A 43 5.151 -1.078 -2.214 1.00 0.00 C ATOM 675 O PHE A 43 6.181 -1.741 -2.362 1.00 0.00 O ATOM 676 CB PHE A 43 4.842 1.400 -2.012 1.00 0.00 C ATOM 677 CG PHE A 43 6.023 1.522 -1.078 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.135 2.273 -1.432 1.00 0.00 C ATOM 679 CD2 PHE A 43 6.022 0.879 0.154 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.216 2.378 -0.579 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.101 0.983 1.007 1.00 0.00 C ATOM 682 CZ PHE A 43 8.199 1.732 0.641 1.00 0.00 C ATOM 0 H PHE A 43 3.034 0.799 -3.631 1.00 0.00 H new ATOM 0 HA PHE A 43 5.810 0.386 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.743 2.324 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.932 1.291 -1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.155 2.781 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.165 0.290 0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.075 2.966 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.086 0.478 1.961 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.045 1.813 1.308 1.00 0.00 H new ATOM 692 N TRP A 44 4.176 -1.462 -1.384 1.00 0.00 N ATOM 693 CA TRP A 44 4.355 -2.670 -0.583 1.00 0.00 C ATOM 694 C TRP A 44 4.247 -3.931 -1.439 1.00 0.00 C ATOM 695 O TRP A 44 4.565 -5.030 -0.978 1.00 0.00 O ATOM 696 CB TRP A 44 3.445 -2.725 0.664 1.00 0.00 C ATOM 697 CG TRP A 44 1.967 -2.563 0.471 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.214 -1.498 0.872 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.049 -3.510 -0.097 1.00 0.00 C ATOM 700 NE1 TRP A 44 -0.108 -1.725 0.601 1.00 0.00 N ATOM 701 CE2 TRP A 44 -0.236 -2.942 -0.011 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.186 -4.774 -0.679 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.373 -3.597 -0.476 1.00 0.00 C ATOM 704 CZ3 TRP A 44 0.057 -5.420 -1.144 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.207 -4.830 -1.043 1.00 0.00 C ATOM 0 H TRP A 44 3.290 -0.975 -1.253 1.00 0.00 H new ATOM 0 HA TRP A 44 5.371 -2.626 -0.191 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.613 -3.683 1.157 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.778 -1.949 1.353 1.00 0.00 H new ATOM 0 HD1 TRP A 44 1.605 -0.605 1.336 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.875 -1.089 0.820 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.158 -5.237 -0.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.351 -3.147 -0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.152 -6.398 -1.593 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.069 -5.359 -1.421 1.00 0.00 H new ATOM 716 N ILE A 45 3.820 -3.766 -2.690 1.00 0.00 N ATOM 717 CA ILE A 45 3.938 -4.831 -3.687 1.00 0.00 C ATOM 718 C ILE A 45 5.369 -4.860 -4.230 1.00 0.00 C ATOM 719 O ILE A 45 5.915 -5.923 -4.532 1.00 0.00 O ATOM 720 CB ILE A 45 2.935 -4.649 -4.861 1.00 0.00 C ATOM 721 CG1 ILE A 45 1.487 -4.738 -4.349 1.00 0.00 C ATOM 722 CG2 ILE A 45 3.180 -5.692 -5.955 1.00 0.00 C ATOM 723 CD1 ILE A 45 0.442 -4.497 -5.420 1.00 0.00 C ATOM 0 H ILE A 45 3.391 -2.908 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 45 3.699 -5.775 -3.197 1.00 0.00 H new ATOM 0 HB ILE A 45 3.092 -3.660 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.326 -5.724 -3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.349 -4.010 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.466 -5.544 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.194 -5.584 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.055 -6.692 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.553 -4.576 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.575 -3.500 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.551 -5.241 -6.209 1.00 0.00 H new ATOM 735 N ALA A 46 5.985 -3.678 -4.309 1.00 0.00 N ATOM 736 CA ALA A 46 7.358 -3.540 -4.787 1.00 0.00 C ATOM 737 C ALA A 46 8.333 -4.185 -3.812 1.00 0.00 C ATOM 738 O ALA A 46 9.462 -4.517 -4.173 1.00 0.00 O ATOM 739 CB ALA A 46 7.711 -2.071 -5.009 1.00 0.00 C ATOM 0 H ALA A 46 5.547 -2.796 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 46 7.438 -4.056 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.738 -1.993 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.037 -1.643 -5.751 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.610 -1.527 -4.070 1.00 0.00 H new ATOM 745 N CYS A 47 7.892 -4.338 -2.567 1.00 0.00 N ATOM 746 CA CYS A 47 8.651 -5.076 -1.563 1.00 0.00 C ATOM 747 C CYS A 47 8.670 -6.567 -1.921 1.00 0.00 C ATOM 748 O CYS A 47 9.654 -7.272 -1.676 1.00 0.00 O ATOM 749 CB CYS A 47 8.037 -4.862 -0.173 1.00 0.00 C ATOM 750 SG CYS A 47 8.968 -5.616 1.183 1.00 0.00 S ATOM 0 H CYS A 47 7.008 -3.958 -2.228 1.00 0.00 H new ATOM 0 HA CYS A 47 9.676 -4.707 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.953 -3.791 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.025 -5.266 -0.171 1.00 0.00 H new ATOM 0 HG CYS A 47 8.514 -6.813 1.409 1.00 0.00 H new ATOM 756 N GLU A 48 7.582 -7.030 -2.532 1.00 0.00 N ATOM 757 CA GLU A 48 7.456 -8.424 -2.941 1.00 0.00 C ATOM 758 C GLU A 48 8.304 -8.691 -4.187 1.00 0.00 C ATOM 759 O GLU A 48 9.085 -9.640 -4.225 1.00 0.00 O ATOM 760 CB GLU A 48 5.986 -8.777 -3.202 1.00 0.00 C ATOM 761 CG GLU A 48 5.069 -8.546 -2.002 1.00 0.00 C ATOM 762 CD GLU A 48 5.369 -9.478 -0.835 1.00 0.00 C ATOM 763 OE1 GLU A 48 4.876 -10.626 -0.845 1.00 0.00 O ATOM 764 OE2 GLU A 48 6.088 -9.069 0.100 1.00 0.00 O ATOM 0 H GLU A 48 6.770 -6.454 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 48 7.821 -9.058 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.624 -8.184 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.922 -9.824 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.169 -7.513 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.033 -8.683 -2.312 1.00 0.00 H new ATOM 771 N ASP A 49 8.174 -7.843 -5.207 1.00 0.00 N ATOM 772 CA ASP A 49 8.995 -8.002 -6.412 1.00 0.00 C ATOM 773 C ASP A 49 10.455 -7.651 -6.115 1.00 0.00 C ATOM 774 O ASP A 49 11.354 -7.944 -6.911 1.00 0.00 O ATOM 775 CB ASP A 49 8.451 -7.190 -7.609 1.00 0.00 C ATOM 776 CG ASP A 49 8.362 -5.689 -7.372 1.00 0.00 C ATOM 777 OD1 ASP A 49 9.391 -5.063 -7.063 1.00 0.00 O ATOM 778 OD2 ASP A 49 7.262 -5.120 -7.544 1.00 0.00 O ATOM 0 H ASP A 49 7.525 -7.056 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 49 8.944 -9.051 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.090 -7.370 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.459 -7.563 -7.863 1.00 0.00 H new ATOM 783 N PHE A 50 10.690 -7.044 -4.952 1.00 0.00 N ATOM 784 CA PHE A 50 12.044 -6.766 -4.488 1.00 0.00 C ATOM 785 C PHE A 50 12.738 -8.060 -4.067 1.00 0.00 C ATOM 786 O PHE A 50 13.860 -8.328 -4.495 1.00 0.00 O ATOM 787 CB PHE A 50 12.024 -5.755 -3.332 1.00 0.00 C ATOM 788 CG PHE A 50 13.380 -5.452 -2.738 1.00 0.00 C ATOM 789 CD1 PHE A 50 14.456 -5.115 -3.549 1.00 0.00 C ATOM 790 CD2 PHE A 50 13.578 -5.507 -1.365 1.00 0.00 C ATOM 791 CE1 PHE A 50 15.695 -4.839 -3.003 1.00 0.00 C ATOM 792 CE2 PHE A 50 14.815 -5.230 -0.817 1.00 0.00 C ATOM 793 CZ PHE A 50 15.873 -4.896 -1.636 1.00 0.00 C ATOM 0 H PHE A 50 9.956 -6.736 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 50 12.608 -6.326 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.582 -4.825 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.374 -6.136 -2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.323 -5.068 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.755 -5.770 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.523 -4.579 -3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.954 -5.275 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.840 -4.679 -1.208 1.00 0.00 H new ATOM 803 N LYS A 51 12.066 -8.872 -3.244 1.00 0.00 N ATOM 804 CA LYS A 51 12.626 -10.166 -2.843 1.00 0.00 C ATOM 805 C LYS A 51 12.808 -11.059 -4.069 1.00 0.00 C ATOM 806 O LYS A 51 13.652 -11.957 -4.078 1.00 0.00 O ATOM 807 CB LYS A 51 11.753 -10.875 -1.787 1.00 0.00 C ATOM 808 CG LYS A 51 10.334 -11.189 -2.252 1.00 0.00 C ATOM 809 CD LYS A 51 9.563 -12.042 -1.246 1.00 0.00 C ATOM 810 CE LYS A 51 10.060 -13.486 -1.217 1.00 0.00 C ATOM 811 NZ LYS A 51 9.838 -14.182 -2.516 1.00 0.00 N ATOM 0 H LYS A 51 11.150 -8.661 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 51 13.597 -9.977 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.241 -11.805 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.701 -10.249 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.796 -10.256 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.376 -11.710 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.660 -11.606 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.503 -12.029 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.123 -13.498 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.548 -14.029 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.931 -15.209 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.884 -13.965 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.544 -13.859 -3.208 1.00 0.00 H new ATOM 825 N LYS A 52 12.000 -10.809 -5.100 1.00 0.00 N ATOM 826 CA LYS A 52 12.133 -11.517 -6.373 1.00 0.00 C ATOM 827 C LYS A 52 13.441 -11.137 -7.068 1.00 0.00 C ATOM 828 O LYS A 52 14.040 -11.950 -7.778 1.00 0.00 O ATOM 829 CB LYS A 52 10.946 -11.207 -7.293 1.00 0.00 C ATOM 830 CG LYS A 52 9.595 -11.608 -6.709 1.00 0.00 C ATOM 831 CD LYS A 52 8.450 -11.373 -7.693 1.00 0.00 C ATOM 832 CE LYS A 52 8.661 -12.131 -8.998 1.00 0.00 C ATOM 833 NZ LYS A 52 7.519 -11.959 -9.933 1.00 0.00 N ATOM 0 H LYS A 52 11.247 -10.122 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 52 12.144 -12.586 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.935 -10.139 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.089 -11.723 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.620 -12.661 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.411 -11.039 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.510 -11.686 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.363 -10.307 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.576 -11.782 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.797 -13.191 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.703 -12.491 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.649 -12.315 -9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.404 -10.950 -10.159 1.00 0.00 H new ATOM 847 N SER A 53 13.880 -9.901 -6.851 1.00 0.00 N ATOM 848 CA SER A 53 15.131 -9.399 -7.421 1.00 0.00 C ATOM 849 C SER A 53 16.314 -9.846 -6.553 1.00 0.00 C ATOM 850 O SER A 53 17.176 -9.048 -6.190 1.00 0.00 O ATOM 851 CB SER A 53 15.073 -7.866 -7.518 1.00 0.00 C ATOM 852 OG SER A 53 13.942 -7.444 -8.272 1.00 0.00 O ATOM 0 H SER A 53 13.383 -9.220 -6.278 1.00 0.00 H new ATOM 0 HA SER A 53 15.267 -9.806 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.028 -7.436 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.985 -7.493 -7.984 1.00 0.00 H new ATOM 0 HG SER A 53 13.123 -7.638 -7.770 1.00 0.00 H new ATOM 858 N LYS A 54 16.359 -11.151 -6.277 1.00 0.00 N ATOM 859 CA LYS A 54 17.286 -11.737 -5.298 1.00 0.00 C ATOM 860 C LYS A 54 18.758 -11.738 -5.750 1.00 0.00 C ATOM 861 O LYS A 54 19.579 -12.457 -5.177 1.00 0.00 O ATOM 862 CB LYS A 54 16.825 -13.168 -4.944 1.00 0.00 C ATOM 863 CG LYS A 54 16.354 -14.010 -6.137 1.00 0.00 C ATOM 864 CD LYS A 54 17.478 -14.333 -7.121 1.00 0.00 C ATOM 865 CE LYS A 54 16.965 -15.121 -8.320 1.00 0.00 C ATOM 866 NZ LYS A 54 18.055 -15.475 -9.265 1.00 0.00 N ATOM 0 H LYS A 54 15.752 -11.837 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 54 17.253 -11.098 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 17.648 -13.688 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.012 -13.103 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.922 -14.941 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.562 -13.476 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.939 -13.407 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.253 -14.906 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.477 -16.032 -7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.210 -14.534 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.661 -16.010 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.505 -14.606 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.764 -16.057 -8.775 1.00 0.00 H new ATOM 880 N GLY A 55 19.092 -10.939 -6.759 1.00 0.00 N ATOM 881 CA GLY A 55 20.478 -10.815 -7.175 1.00 0.00 C ATOM 882 C GLY A 55 21.323 -10.162 -6.089 1.00 0.00 C ATOM 883 O GLY A 55 20.941 -9.112 -5.574 1.00 0.00 O ATOM 0 H GLY A 55 18.430 -10.377 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 55 20.880 -11.801 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.535 -10.223 -8.089 1.00 0.00 H new ATOM 887 N PRO A 56 22.483 -10.750 -5.728 1.00 0.00 N ATOM 888 CA PRO A 56 23.306 -10.279 -4.600 1.00 0.00 C ATOM 889 C PRO A 56 23.590 -8.773 -4.653 1.00 0.00 C ATOM 890 O PRO A 56 23.496 -8.078 -3.638 1.00 0.00 O ATOM 891 CB PRO A 56 24.615 -11.090 -4.731 1.00 0.00 C ATOM 892 CG PRO A 56 24.554 -11.732 -6.081 1.00 0.00 C ATOM 893 CD PRO A 56 23.094 -11.912 -6.390 1.00 0.00 C ATOM 0 HA PRO A 56 22.796 -10.427 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 56 25.488 -10.443 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 56 24.693 -11.839 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 56 25.037 -11.107 -6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 56 25.074 -12.690 -6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 56 22.904 -11.914 -7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.709 -12.852 -5.996 1.00 0.00 H new ATOM 901 N GLN A 57 23.931 -8.276 -5.836 1.00 0.00 N ATOM 902 CA GLN A 57 24.214 -6.856 -6.022 1.00 0.00 C ATOM 903 C GLN A 57 22.941 -6.139 -6.481 1.00 0.00 C ATOM 904 O GLN A 57 22.697 -4.985 -6.117 1.00 0.00 O ATOM 905 CB GLN A 57 25.359 -6.678 -7.037 1.00 0.00 C ATOM 906 CG GLN A 57 26.018 -5.295 -7.028 1.00 0.00 C ATOM 907 CD GLN A 57 25.198 -4.221 -7.724 1.00 0.00 C ATOM 908 OE1 GLN A 57 24.469 -4.495 -8.675 1.00 0.00 O ATOM 909 NE2 GLN A 57 25.312 -2.987 -7.253 1.00 0.00 N ATOM 0 H GLN A 57 24.019 -8.836 -6.684 1.00 0.00 H new ATOM 0 HA GLN A 57 24.534 -6.414 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 57 26.123 -7.430 -6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 57 24.973 -6.874 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 57 26.194 -4.993 -5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 57 26.993 -5.364 -7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 57 25.927 -2.798 -6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 57 24.784 -2.227 -7.682 1.00 0.00 H new ATOM 918 N GLN A 58 22.122 -6.856 -7.251 1.00 0.00 N ATOM 919 CA GLN A 58 20.856 -6.333 -7.768 1.00 0.00 C ATOM 920 C GLN A 58 19.981 -5.797 -6.633 1.00 0.00 C ATOM 921 O GLN A 58 19.276 -4.800 -6.803 1.00 0.00 O ATOM 922 CB GLN A 58 20.113 -7.433 -8.547 1.00 0.00 C ATOM 923 CG GLN A 58 18.763 -7.005 -9.122 1.00 0.00 C ATOM 924 CD GLN A 58 18.870 -5.831 -10.083 1.00 0.00 C ATOM 925 OE1 GLN A 58 19.074 -6.009 -11.285 1.00 0.00 O ATOM 926 NE2 GLN A 58 18.717 -4.620 -9.562 1.00 0.00 N ATOM 0 H GLN A 58 22.317 -7.816 -7.534 1.00 0.00 H new ATOM 0 HA GLN A 58 21.074 -5.505 -8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.749 -7.774 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.958 -8.286 -7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 58 18.311 -7.851 -9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.094 -6.737 -8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.550 -4.513 -8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.767 -3.797 -10.162 1.00 0.00 H new ATOM 935 N ILE A 59 20.042 -6.461 -5.479 1.00 0.00 N ATOM 936 CA ILE A 59 19.325 -6.017 -4.285 1.00 0.00 C ATOM 937 C ILE A 59 19.649 -4.554 -3.975 1.00 0.00 C ATOM 938 O ILE A 59 18.758 -3.762 -3.663 1.00 0.00 O ATOM 939 CB ILE A 59 19.679 -6.899 -3.052 1.00 0.00 C ATOM 940 CG1 ILE A 59 19.112 -8.320 -3.215 1.00 0.00 C ATOM 941 CG2 ILE A 59 19.171 -6.268 -1.756 1.00 0.00 C ATOM 942 CD1 ILE A 59 17.597 -8.381 -3.224 1.00 0.00 C ATOM 0 H ILE A 59 20.585 -7.314 -5.346 1.00 0.00 H new ATOM 0 HA ILE A 59 18.259 -6.115 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 59 20.765 -6.964 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 59 19.488 -8.746 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 59 19.486 -8.945 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 59 19.433 -6.907 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.629 -5.288 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 59 18.088 -6.159 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 59 17.275 -9.416 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 59 17.211 -7.987 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 59 17.214 -7.785 -4.052 1.00 0.00 H new ATOM 954 N HIS A 60 20.924 -4.197 -4.103 1.00 0.00 N ATOM 955 CA HIS A 60 21.385 -2.846 -3.787 1.00 0.00 C ATOM 956 C HIS A 60 20.777 -1.832 -4.756 1.00 0.00 C ATOM 957 O HIS A 60 20.285 -0.782 -4.345 1.00 0.00 O ATOM 958 CB HIS A 60 22.920 -2.769 -3.838 1.00 0.00 C ATOM 959 CG HIS A 60 23.612 -3.646 -2.832 1.00 0.00 C ATOM 960 ND1 HIS A 60 24.425 -3.154 -1.833 1.00 0.00 N ATOM 961 CD2 HIS A 60 23.618 -4.994 -2.684 1.00 0.00 C ATOM 962 CE1 HIS A 60 24.899 -4.159 -1.120 1.00 0.00 C ATOM 963 NE2 HIS A 60 24.425 -5.285 -1.614 1.00 0.00 N ATOM 0 H HIS A 60 21.660 -4.826 -4.424 1.00 0.00 H new ATOM 0 HA HIS A 60 21.058 -2.605 -2.775 1.00 0.00 H new ATOM 0 HB2 HIS A 60 23.254 -3.047 -4.838 1.00 0.00 H new ATOM 0 HB3 HIS A 60 23.227 -1.736 -3.676 1.00 0.00 H new ATOM 0 HD1 HIS A 60 24.628 -2.168 -1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.085 -5.707 -3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 60 25.564 -4.073 -0.273 1.00 0.00 H new ATOM 972 N LEU A 61 20.795 -2.169 -6.044 1.00 0.00 N ATOM 973 CA LEU A 61 20.276 -1.279 -7.084 1.00 0.00 C ATOM 974 C LEU A 61 18.757 -1.134 -6.974 1.00 0.00 C ATOM 975 O LEU A 61 18.215 -0.033 -7.074 1.00 0.00 O ATOM 976 CB LEU A 61 20.643 -1.813 -8.478 1.00 0.00 C ATOM 977 CG LEU A 61 22.150 -1.938 -8.762 1.00 0.00 C ATOM 978 CD1 LEU A 61 22.388 -2.506 -10.161 1.00 0.00 C ATOM 979 CD2 LEU A 61 22.844 -0.586 -8.600 1.00 0.00 C ATOM 0 H LEU A 61 21.164 -3.053 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 61 20.731 -0.299 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.184 -2.794 -8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.203 -1.156 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 61 22.580 -2.629 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 61 23.460 -2.587 -10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.932 -3.493 -10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.943 -1.844 -10.903 1.00 0.00 H new ATOM 0 HD21 LEU A 61 23.909 -0.697 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 61 22.412 0.131 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.707 -0.226 -7.580 1.00 0.00 H new ATOM 991 N LYS A 62 18.084 -2.258 -6.754 1.00 0.00 N ATOM 992 CA LYS A 62 16.625 -2.290 -6.687 1.00 0.00 C ATOM 993 C LYS A 62 16.153 -1.510 -5.460 1.00 0.00 C ATOM 994 O LYS A 62 15.174 -0.759 -5.520 1.00 0.00 O ATOM 995 CB LYS A 62 16.140 -3.753 -6.637 1.00 0.00 C ATOM 996 CG LYS A 62 14.799 -4.011 -7.328 1.00 0.00 C ATOM 997 CD LYS A 62 13.615 -3.380 -6.597 1.00 0.00 C ATOM 998 CE LYS A 62 12.295 -3.723 -7.278 1.00 0.00 C ATOM 999 NZ LYS A 62 11.122 -3.229 -6.511 1.00 0.00 N ATOM 0 H LYS A 62 18.528 -3.166 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 62 16.202 -1.821 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.897 -4.388 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.059 -4.058 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.840 -3.620 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.639 -5.086 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.595 -3.729 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.740 -2.298 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.281 -3.290 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.220 -4.804 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.249 -3.613 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.200 -3.538 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.095 -2.190 -6.549 1.00 0.00 H new ATOM 1013 N ALA A 63 16.870 -1.688 -4.353 1.00 0.00 N ATOM 1014 CA ALA A 63 16.585 -0.963 -3.122 1.00 0.00 C ATOM 1015 C ALA A 63 16.872 0.523 -3.298 1.00 0.00 C ATOM 1016 O ALA A 63 16.105 1.365 -2.841 1.00 0.00 O ATOM 1017 CB ALA A 63 17.398 -1.529 -1.966 1.00 0.00 C ATOM 0 H ALA A 63 17.657 -2.333 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 63 15.527 -1.085 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.171 -0.974 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.145 -2.580 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.461 -1.439 -2.190 1.00 0.00 H new ATOM 1023 N LYS A 64 17.979 0.829 -3.977 1.00 0.00 N ATOM 1024 CA LYS A 64 18.360 2.210 -4.277 1.00 0.00 C ATOM 1025 C LYS A 64 17.217 2.947 -4.975 1.00 0.00 C ATOM 1026 O LYS A 64 16.872 4.074 -4.602 1.00 0.00 O ATOM 1027 CB LYS A 64 19.629 2.229 -5.152 1.00 0.00 C ATOM 1028 CG LYS A 64 19.846 3.521 -5.946 1.00 0.00 C ATOM 1029 CD LYS A 64 20.062 4.746 -5.056 1.00 0.00 C ATOM 1030 CE LYS A 64 21.438 4.753 -4.401 1.00 0.00 C ATOM 1031 NZ LYS A 64 21.716 6.046 -3.720 1.00 0.00 N ATOM 0 H LYS A 64 18.633 0.131 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 64 18.572 2.724 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.496 2.063 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.583 1.394 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.710 3.398 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 64 18.983 3.694 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.942 5.651 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.294 4.770 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.501 3.940 -3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.202 4.568 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.744 6.194 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.285 6.823 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.314 6.027 -2.761 1.00 0.00 H new ATOM 1045 N ALA A 65 16.632 2.301 -5.981 1.00 0.00 N ATOM 1046 CA ALA A 65 15.518 2.875 -6.727 1.00 0.00 C ATOM 1047 C ALA A 65 14.368 3.233 -5.785 1.00 0.00 C ATOM 1048 O ALA A 65 13.982 4.398 -5.674 1.00 0.00 O ATOM 1049 CB ALA A 65 15.048 1.906 -7.809 1.00 0.00 C ATOM 0 H ALA A 65 16.914 1.374 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 65 15.859 3.791 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.216 2.348 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.869 1.703 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.723 0.974 -7.347 1.00 0.00 H new ATOM 1055 N ILE A 66 13.852 2.224 -5.085 1.00 0.00 N ATOM 1056 CA ILE A 66 12.753 2.417 -4.136 1.00 0.00 C ATOM 1057 C ILE A 66 13.132 3.458 -3.081 1.00 0.00 C ATOM 1058 O ILE A 66 12.300 4.256 -2.637 1.00 0.00 O ATOM 1059 CB ILE A 66 12.387 1.086 -3.426 1.00 0.00 C ATOM 1060 CG1 ILE A 66 12.013 0.007 -4.459 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.244 1.297 -2.430 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.708 -1.347 -3.850 1.00 0.00 C ATOM 0 H ILE A 66 14.178 1.260 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 66 11.889 2.767 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 66 13.261 0.744 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.144 0.344 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.832 -0.101 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.005 0.351 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.547 2.025 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.365 1.666 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.453 -2.053 -4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.583 -1.708 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.868 -1.255 -3.161 1.00 0.00 H new ATOM 1074 N TYR A 67 14.405 3.451 -2.707 1.00 0.00 N ATOM 1075 CA TYR A 67 14.914 4.328 -1.667 1.00 0.00 C ATOM 1076 C TYR A 67 14.773 5.798 -2.066 1.00 0.00 C ATOM 1077 O TYR A 67 13.966 6.518 -1.490 1.00 0.00 O ATOM 1078 CB TYR A 67 16.377 3.983 -1.353 1.00 0.00 C ATOM 1079 CG TYR A 67 17.026 4.893 -0.327 1.00 0.00 C ATOM 1080 CD1 TYR A 67 16.675 4.830 1.017 1.00 0.00 C ATOM 1081 CD2 TYR A 67 17.987 5.819 -0.706 1.00 0.00 C ATOM 1082 CE1 TYR A 67 17.268 5.664 1.945 1.00 0.00 C ATOM 1083 CE2 TYR A 67 18.579 6.654 0.213 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.218 6.575 1.536 1.00 0.00 C ATOM 1085 OH TYR A 67 18.813 7.413 2.452 1.00 0.00 O ATOM 0 H TYR A 67 15.110 2.838 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 67 14.319 4.174 -0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.427 2.955 -0.993 1.00 0.00 H new ATOM 0 HB3 TYR A 67 16.955 4.026 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 67 15.929 4.119 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.276 5.886 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 67 16.988 5.602 2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.324 7.368 -0.104 1.00 0.00 H new ATOM 0 HH TYR A 67 18.600 8.344 2.230 1.00 0.00 H new ATOM 1095 N GLU A 68 15.524 6.231 -3.076 1.00 0.00 N ATOM 1096 CA GLU A 68 15.572 7.653 -3.429 1.00 0.00 C ATOM 1097 C GLU A 68 14.329 8.095 -4.207 1.00 0.00 C ATOM 1098 O GLU A 68 14.192 9.271 -4.549 1.00 0.00 O ATOM 1099 CB GLU A 68 16.852 7.981 -4.216 1.00 0.00 C ATOM 1100 CG GLU A 68 18.130 7.653 -3.449 1.00 0.00 C ATOM 1101 CD GLU A 68 19.367 8.333 -4.012 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.875 7.895 -5.064 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.849 9.302 -3.392 1.00 0.00 O ATOM 0 H GLU A 68 16.103 5.628 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 68 15.586 8.214 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.846 7.426 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.852 9.040 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.005 7.949 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.283 6.574 -3.458 1.00 0.00 H new ATOM 1110 N LYS A 69 13.425 7.156 -4.481 1.00 0.00 N ATOM 1111 CA LYS A 69 12.175 7.476 -5.171 1.00 0.00 C ATOM 1112 C LYS A 69 11.004 7.584 -4.184 1.00 0.00 C ATOM 1113 O LYS A 69 10.056 8.333 -4.428 1.00 0.00 O ATOM 1114 CB LYS A 69 11.880 6.416 -6.246 1.00 0.00 C ATOM 1115 CG LYS A 69 10.646 6.704 -7.101 1.00 0.00 C ATOM 1116 CD LYS A 69 10.471 5.654 -8.198 1.00 0.00 C ATOM 1117 CE LYS A 69 9.203 5.881 -9.017 1.00 0.00 C ATOM 1118 NZ LYS A 69 9.210 7.189 -9.725 1.00 0.00 N ATOM 0 H LYS A 69 13.533 6.171 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 69 12.291 8.447 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.747 6.330 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.751 5.449 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.759 6.722 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.736 7.692 -7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.337 5.674 -8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.438 4.662 -7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.096 5.077 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.335 5.832 -8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.387 7.245 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.165 7.961 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.083 7.277 -10.283 1.00 0.00 H new ATOM 1132 N PHE A 70 11.077 6.852 -3.065 1.00 0.00 N ATOM 1133 CA PHE A 70 9.967 6.810 -2.099 1.00 0.00 C ATOM 1134 C PHE A 70 10.434 7.003 -0.649 1.00 0.00 C ATOM 1135 O PHE A 70 9.804 7.733 0.119 1.00 0.00 O ATOM 1136 CB PHE A 70 9.212 5.476 -2.210 1.00 0.00 C ATOM 1137 CG PHE A 70 8.521 5.260 -3.535 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.409 6.016 -3.884 1.00 0.00 C ATOM 1139 CD2 PHE A 70 8.972 4.293 -4.426 1.00 0.00 C ATOM 1140 CE1 PHE A 70 6.764 5.814 -5.090 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.329 4.090 -5.633 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.225 4.850 -5.965 1.00 0.00 C ATOM 0 H PHE A 70 11.884 6.285 -2.806 1.00 0.00 H new ATOM 0 HA PHE A 70 9.307 7.641 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.915 4.660 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.469 5.425 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.044 6.771 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.834 3.694 -4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.901 6.409 -5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.691 3.336 -6.317 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.723 4.691 -6.908 1.00 0.00 H new ATOM 1152 N ILE A 71 11.523 6.336 -0.270 1.00 0.00 N ATOM 1153 CA ILE A 71 11.982 6.335 1.126 1.00 0.00 C ATOM 1154 C ILE A 71 12.687 7.642 1.490 1.00 0.00 C ATOM 1155 O ILE A 71 12.556 8.137 2.613 1.00 0.00 O ATOM 1156 CB ILE A 71 12.946 5.153 1.406 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.288 3.814 1.041 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.391 5.149 2.870 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.053 3.486 1.855 1.00 0.00 C ATOM 0 H ILE A 71 12.105 5.790 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 71 11.089 6.227 1.742 1.00 0.00 H new ATOM 0 HB ILE A 71 13.829 5.283 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.019 3.830 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.018 3.016 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.066 4.311 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.906 6.083 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.518 5.050 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.651 2.525 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.317 3.435 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.302 4.262 1.706 1.00 0.00 H new ATOM 1171 N GLN A 72 13.430 8.187 0.536 1.00 0.00 N ATOM 1172 CA GLN A 72 14.243 9.374 0.761 1.00 0.00 C ATOM 1173 C GLN A 72 13.377 10.548 1.208 1.00 0.00 C ATOM 1174 O GLN A 72 12.321 10.810 0.627 1.00 0.00 O ATOM 1175 CB GLN A 72 15.012 9.738 -0.520 1.00 0.00 C ATOM 1176 CG GLN A 72 15.871 10.994 -0.397 1.00 0.00 C ATOM 1177 CD GLN A 72 16.983 10.864 0.633 1.00 0.00 C ATOM 1178 OE1 GLN A 72 17.534 9.781 0.846 1.00 0.00 O ATOM 1179 NE2 GLN A 72 17.315 11.968 1.279 1.00 0.00 N ATOM 0 H GLN A 72 13.486 7.819 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 72 14.958 9.156 1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.651 8.900 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.298 9.877 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.310 11.222 -1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.234 11.837 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.834 12.844 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.052 11.944 1.984 1.00 0.00 H new ATOM 1188 N THR A 73 13.824 11.242 2.245 1.00 0.00 N ATOM 1189 CA THR A 73 13.121 12.411 2.738 1.00 0.00 C ATOM 1190 C THR A 73 13.072 13.488 1.654 1.00 0.00 C ATOM 1191 O THR A 73 14.111 13.883 1.112 1.00 0.00 O ATOM 1192 CB THR A 73 13.793 12.965 4.015 1.00 0.00 C ATOM 1193 OG1 THR A 73 15.192 13.180 3.776 1.00 0.00 O ATOM 1194 CG2 THR A 73 13.616 12.004 5.188 1.00 0.00 C ATOM 0 H THR A 73 14.674 11.012 2.761 1.00 0.00 H new ATOM 0 HA THR A 73 12.103 12.116 2.994 1.00 0.00 H new ATOM 0 HB THR A 73 13.314 13.911 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.335 13.381 2.827 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.098 12.418 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.553 11.863 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.070 11.044 4.943 1.00 0.00 H new ATOM 1202 N ASP A 74 11.856 13.922 1.329 1.00 0.00 N ATOM 1203 CA ASP A 74 11.615 14.927 0.293 1.00 0.00 C ATOM 1204 C ASP A 74 11.880 14.355 -1.103 1.00 0.00 C ATOM 1205 O ASP A 74 12.259 15.078 -2.030 1.00 0.00 O ATOM 1206 CB ASP A 74 12.449 16.197 0.537 1.00 0.00 C ATOM 1207 CG ASP A 74 12.022 17.350 -0.359 1.00 0.00 C ATOM 1208 OD1 ASP A 74 10.800 17.597 -0.466 1.00 0.00 O ATOM 1209 OD2 ASP A 74 12.895 18.014 -0.958 1.00 0.00 O ATOM 0 H ASP A 74 11.005 13.585 1.779 1.00 0.00 H new ATOM 0 HA ASP A 74 10.563 15.208 0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.354 16.496 1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.502 15.976 0.364 1.00 0.00 H new ATOM 1214 N ALA A 75 11.664 13.051 -1.248 1.00 0.00 N ATOM 1215 CA ALA A 75 11.702 12.404 -2.560 1.00 0.00 C ATOM 1216 C ALA A 75 10.581 12.966 -3.448 1.00 0.00 C ATOM 1217 O ALA A 75 9.670 13.628 -2.937 1.00 0.00 O ATOM 1218 CB ALA A 75 11.568 10.890 -2.400 1.00 0.00 C ATOM 0 H ALA A 75 11.460 12.419 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 75 12.658 12.611 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.597 10.416 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.390 10.514 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.621 10.658 -1.913 1.00 0.00 H new ATOM 1224 N PRO A 76 10.632 12.733 -4.783 1.00 0.00 N ATOM 1225 CA PRO A 76 9.592 13.209 -5.709 1.00 0.00 C ATOM 1226 C PRO A 76 8.184 12.945 -5.171 1.00 0.00 C ATOM 1227 O PRO A 76 7.384 13.869 -5.007 1.00 0.00 O ATOM 1228 CB PRO A 76 9.859 12.396 -6.978 1.00 0.00 C ATOM 1229 CG PRO A 76 11.328 12.140 -6.951 1.00 0.00 C ATOM 1230 CD PRO A 76 11.704 12.003 -5.494 1.00 0.00 C ATOM 0 HA PRO A 76 9.633 14.287 -5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.293 11.464 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.568 12.947 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.576 11.234 -7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.875 12.959 -7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.747 10.958 -5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.684 12.435 -5.291 1.00 0.00 H new ATOM 1238 N LYS A 77 7.891 11.677 -4.897 1.00 0.00 N ATOM 1239 CA LYS A 77 6.659 11.294 -4.216 1.00 0.00 C ATOM 1240 C LYS A 77 7.015 10.387 -3.048 1.00 0.00 C ATOM 1241 O LYS A 77 6.821 9.172 -3.114 1.00 0.00 O ATOM 1242 CB LYS A 77 5.666 10.567 -5.151 1.00 0.00 C ATOM 1243 CG LYS A 77 5.255 11.350 -6.401 1.00 0.00 C ATOM 1244 CD LYS A 77 6.246 11.174 -7.549 1.00 0.00 C ATOM 1245 CE LYS A 77 6.386 9.709 -7.960 1.00 0.00 C ATOM 1246 NZ LYS A 77 5.087 9.117 -8.382 1.00 0.00 N ATOM 0 H LYS A 77 8.496 10.892 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 77 6.166 12.203 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.111 9.622 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.768 10.324 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.267 11.022 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.174 12.408 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.917 11.762 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.220 11.562 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.102 9.630 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.790 9.136 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.217 8.106 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.390 9.229 -7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.746 9.602 -9.236 1.00 0.00 H new ATOM 1260 N GLU A 78 7.589 10.975 -2.003 1.00 0.00 N ATOM 1261 CA GLU A 78 8.008 10.201 -0.841 1.00 0.00 C ATOM 1262 C GLU A 78 6.790 9.658 -0.104 1.00 0.00 C ATOM 1263 O GLU A 78 5.731 10.292 -0.071 1.00 0.00 O ATOM 1264 CB GLU A 78 8.866 11.041 0.118 1.00 0.00 C ATOM 1265 CG GLU A 78 8.094 12.115 0.880 1.00 0.00 C ATOM 1266 CD GLU A 78 8.913 12.738 1.999 1.00 0.00 C ATOM 1267 OE1 GLU A 78 9.503 11.983 2.799 1.00 0.00 O ATOM 1268 OE2 GLU A 78 8.980 13.985 2.082 1.00 0.00 O ATOM 0 H GLU A 78 7.773 11.976 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 78 8.617 9.370 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.343 10.375 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.663 11.519 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.782 12.895 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.187 11.678 1.298 1.00 0.00 H new ATOM 1275 N VAL A 79 6.943 8.480 0.478 1.00 0.00 N ATOM 1276 CA VAL A 79 5.885 7.875 1.268 1.00 0.00 C ATOM 1277 C VAL A 79 5.949 8.408 2.696 1.00 0.00 C ATOM 1278 O VAL A 79 7.038 8.705 3.206 1.00 0.00 O ATOM 1279 CB VAL A 79 5.997 6.328 1.282 1.00 0.00 C ATOM 1280 CG1 VAL A 79 4.848 5.699 2.072 1.00 0.00 C ATOM 1281 CG2 VAL A 79 6.040 5.778 -0.143 1.00 0.00 C ATOM 0 H VAL A 79 7.795 7.922 0.417 1.00 0.00 H new ATOM 0 HA VAL A 79 4.930 8.137 0.813 1.00 0.00 H new ATOM 0 HB VAL A 79 6.929 6.063 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.953 4.614 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.874 6.059 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.898 5.975 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.119 4.691 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.129 6.061 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.904 6.189 -0.666 1.00 0.00 H new ATOM 1291 N ASN A 80 4.791 8.536 3.338 1.00 0.00 N ATOM 1292 CA ASN A 80 4.722 8.990 4.729 1.00 0.00 C ATOM 1293 C ASN A 80 5.094 7.849 5.674 1.00 0.00 C ATOM 1294 O ASN A 80 4.367 7.527 6.615 1.00 0.00 O ATOM 1295 CB ASN A 80 3.324 9.545 5.055 1.00 0.00 C ATOM 1296 CG ASN A 80 3.066 10.887 4.387 1.00 0.00 C ATOM 1297 OD1 ASN A 80 3.382 11.941 4.945 1.00 0.00 O ATOM 1298 ND2 ASN A 80 2.490 10.866 3.195 1.00 0.00 N ATOM 0 H ASN A 80 3.884 8.332 2.918 1.00 0.00 H new ATOM 0 HA ASN A 80 5.440 9.799 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.567 8.830 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.221 9.653 6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.294 11.740 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.242 9.975 2.764 1.00 0.00 H new ATOM 1305 N LEU A 81 6.241 7.243 5.397 1.00 0.00 N ATOM 1306 CA LEU A 81 6.775 6.154 6.193 1.00 0.00 C ATOM 1307 C LEU A 81 7.322 6.682 7.515 1.00 0.00 C ATOM 1308 O LEU A 81 7.820 7.809 7.581 1.00 0.00 O ATOM 1309 CB LEU A 81 7.878 5.445 5.389 1.00 0.00 C ATOM 1310 CG LEU A 81 8.712 4.406 6.152 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.842 3.239 6.590 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.882 3.920 5.297 1.00 0.00 C ATOM 0 H LEU A 81 6.830 7.499 4.605 1.00 0.00 H new ATOM 0 HA LEU A 81 5.982 5.442 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.415 4.952 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.554 6.203 4.993 1.00 0.00 H new ATOM 0 HG LEU A 81 9.119 4.881 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.451 2.513 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.048 3.602 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.402 2.764 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.460 3.184 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.500 3.464 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.521 4.765 5.041 1.00 0.00 H new ATOM 1324 N ASP A 82 7.210 5.862 8.559 1.00 0.00 N ATOM 1325 CA ASP A 82 7.710 6.209 9.889 1.00 0.00 C ATOM 1326 C ASP A 82 9.160 6.695 9.832 1.00 0.00 C ATOM 1327 O ASP A 82 9.990 6.137 9.104 1.00 0.00 O ATOM 1328 CB ASP A 82 7.585 5.004 10.833 1.00 0.00 C ATOM 1329 CG ASP A 82 8.478 5.121 12.062 1.00 0.00 C ATOM 1330 OD1 ASP A 82 8.382 6.133 12.785 1.00 0.00 O ATOM 1331 OD2 ASP A 82 9.308 4.213 12.277 1.00 0.00 O ATOM 0 H ASP A 82 6.772 4.942 8.508 1.00 0.00 H new ATOM 0 HA ASP A 82 7.101 7.027 10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.547 4.904 11.152 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.840 4.094 10.289 1.00 0.00 H new ATOM 1336 N PHE A 83 9.451 7.723 10.627 1.00 0.00 N ATOM 1337 CA PHE A 83 10.763 8.360 10.637 1.00 0.00 C ATOM 1338 C PHE A 83 11.836 7.392 11.130 1.00 0.00 C ATOM 1339 O PHE A 83 12.954 7.386 10.620 1.00 0.00 O ATOM 1340 CB PHE A 83 10.742 9.631 11.507 1.00 0.00 C ATOM 1341 CG PHE A 83 10.303 9.401 12.938 1.00 0.00 C ATOM 1342 CD1 PHE A 83 8.956 9.436 13.281 1.00 0.00 C ATOM 1343 CD2 PHE A 83 11.234 9.153 13.940 1.00 0.00 C ATOM 1344 CE1 PHE A 83 8.551 9.227 14.587 1.00 0.00 C ATOM 1345 CE2 PHE A 83 10.832 8.945 15.247 1.00 0.00 C ATOM 1346 CZ PHE A 83 9.491 8.982 15.571 1.00 0.00 C ATOM 0 H PHE A 83 8.785 8.136 11.280 1.00 0.00 H new ATOM 0 HA PHE A 83 11.007 8.645 9.614 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.740 10.070 11.512 1.00 0.00 H new ATOM 0 HB3 PHE A 83 10.075 10.360 11.048 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.216 9.629 12.518 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.285 9.122 13.695 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.501 9.255 14.838 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.568 8.754 16.014 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.176 8.820 16.591 1.00 0.00 H new ATOM 1356 N HIS A 84 11.485 6.563 12.111 1.00 0.00 N ATOM 1357 CA HIS A 84 12.428 5.594 12.663 1.00 0.00 C ATOM 1358 C HIS A 84 12.732 4.505 11.638 1.00 0.00 C ATOM 1359 O HIS A 84 13.864 4.029 11.540 1.00 0.00 O ATOM 1360 CB HIS A 84 11.886 4.980 13.959 1.00 0.00 C ATOM 1361 CG HIS A 84 12.713 3.845 14.490 1.00 0.00 C ATOM 1362 ND1 HIS A 84 14.007 3.997 14.948 1.00 0.00 N ATOM 1363 CD2 HIS A 84 12.422 2.531 14.631 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.468 2.828 15.350 1.00 0.00 C ATOM 1365 NE2 HIS A 84 13.527 1.921 15.168 1.00 0.00 N ATOM 0 H HIS A 84 10.559 6.543 12.538 1.00 0.00 H new ATOM 0 HA HIS A 84 13.355 6.116 12.900 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.825 5.758 14.720 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.870 4.625 13.784 1.00 0.00 H new ATOM 0 HD1 HIS A 84 14.525 4.875 14.972 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.491 2.051 14.369 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.450 2.644 15.759 1.00 0.00 H new ATOM 1374 N THR A 85 11.722 4.122 10.868 1.00 0.00 N ATOM 1375 CA THR A 85 11.905 3.141 9.809 1.00 0.00 C ATOM 1376 C THR A 85 12.798 3.715 8.709 1.00 0.00 C ATOM 1377 O THR A 85 13.714 3.043 8.228 1.00 0.00 O ATOM 1378 CB THR A 85 10.553 2.689 9.215 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.692 2.223 10.265 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.745 1.577 8.187 1.00 0.00 C ATOM 0 H THR A 85 10.769 4.476 10.957 1.00 0.00 H new ATOM 0 HA THR A 85 12.387 2.266 10.244 1.00 0.00 H new ATOM 0 HB THR A 85 10.100 3.546 8.716 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.546 2.944 10.912 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.776 1.280 7.787 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.378 1.937 7.376 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.219 0.719 8.663 1.00 0.00 H new ATOM 1388 N LYS A 86 12.546 4.972 8.328 1.00 0.00 N ATOM 1389 CA LYS A 86 13.404 5.664 7.365 1.00 0.00 C ATOM 1390 C LYS A 86 14.824 5.767 7.918 1.00 0.00 C ATOM 1391 O LYS A 86 15.798 5.612 7.186 1.00 0.00 O ATOM 1392 CB LYS A 86 12.864 7.068 7.030 1.00 0.00 C ATOM 1393 CG LYS A 86 11.588 7.069 6.186 1.00 0.00 C ATOM 1394 CD LYS A 86 11.205 8.482 5.734 1.00 0.00 C ATOM 1395 CE LYS A 86 9.995 8.477 4.801 1.00 0.00 C ATOM 1396 NZ LYS A 86 9.640 9.845 4.325 1.00 0.00 N ATOM 0 H LYS A 86 11.761 5.526 8.670 1.00 0.00 H new ATOM 0 HA LYS A 86 13.412 5.083 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.670 7.601 7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.637 7.624 6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.730 6.434 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.770 6.638 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.986 9.095 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.052 8.942 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.204 7.839 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.141 8.043 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.699 9.825 3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.630 10.501 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.344 10.164 3.629 1.00 0.00 H new ATOM 1410 N GLU A 87 14.922 6.012 9.222 1.00 0.00 N ATOM 1411 CA GLU A 87 16.206 6.091 9.912 1.00 0.00 C ATOM 1412 C GLU A 87 17.003 4.799 9.707 1.00 0.00 C ATOM 1413 O GLU A 87 18.168 4.829 9.304 1.00 0.00 O ATOM 1414 CB GLU A 87 15.969 6.355 11.409 1.00 0.00 C ATOM 1415 CG GLU A 87 17.235 6.409 12.259 1.00 0.00 C ATOM 1416 CD GLU A 87 16.932 6.635 13.734 1.00 0.00 C ATOM 1417 OE1 GLU A 87 16.389 5.713 14.383 1.00 0.00 O ATOM 1418 OE2 GLU A 87 17.233 7.730 14.254 1.00 0.00 O ATOM 0 H GLU A 87 14.116 6.161 9.829 1.00 0.00 H new ATOM 0 HA GLU A 87 16.788 6.914 9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.436 7.300 11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.318 5.575 11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.788 5.477 12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.880 7.209 11.896 1.00 0.00 H new ATOM 1425 N VAL A 88 16.357 3.664 9.958 1.00 0.00 N ATOM 1426 CA VAL A 88 16.996 2.362 9.783 1.00 0.00 C ATOM 1427 C VAL A 88 17.388 2.141 8.319 1.00 0.00 C ATOM 1428 O VAL A 88 18.540 1.813 8.016 1.00 0.00 O ATOM 1429 CB VAL A 88 16.069 1.208 10.249 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.730 -0.152 10.022 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.680 1.386 11.718 1.00 0.00 C ATOM 0 H VAL A 88 15.391 3.619 10.283 1.00 0.00 H new ATOM 0 HA VAL A 88 17.894 2.358 10.401 1.00 0.00 H new ATOM 0 HB VAL A 88 15.160 1.243 9.649 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.059 -0.943 10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.942 -0.281 8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.661 -0.203 10.586 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.030 0.566 12.024 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.579 1.386 12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.154 2.332 11.843 1.00 0.00 H new ATOM 1441 N ILE A 89 16.427 2.345 7.418 1.00 0.00 N ATOM 1442 CA ILE A 89 16.642 2.108 5.990 1.00 0.00 C ATOM 1443 C ILE A 89 17.807 2.944 5.458 1.00 0.00 C ATOM 1444 O ILE A 89 18.702 2.414 4.809 1.00 0.00 O ATOM 1445 CB ILE A 89 15.365 2.402 5.157 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.220 1.466 5.587 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.647 2.255 3.659 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.918 1.706 4.847 1.00 0.00 C ATOM 0 H ILE A 89 15.490 2.674 7.652 1.00 0.00 H new ATOM 0 HA ILE A 89 16.886 1.051 5.882 1.00 0.00 H new ATOM 0 HB ILE A 89 15.062 3.432 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.530 0.433 5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.046 1.588 6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.738 2.466 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.427 2.957 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.977 1.237 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.162 1.008 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.582 2.728 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.073 1.555 3.779 1.00 0.00 H new ATOM 1460 N THR A 90 17.806 4.239 5.756 1.00 0.00 N ATOM 1461 CA THR A 90 18.851 5.141 5.274 1.00 0.00 C ATOM 1462 C THR A 90 20.238 4.669 5.725 1.00 0.00 C ATOM 1463 O THR A 90 21.207 4.715 4.963 1.00 0.00 O ATOM 1464 CB THR A 90 18.621 6.590 5.766 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.522 6.614 7.199 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.354 7.191 5.160 1.00 0.00 C ATOM 0 H THR A 90 17.093 4.690 6.330 1.00 0.00 H new ATOM 0 HA THR A 90 18.803 5.128 4.185 1.00 0.00 H new ATOM 0 HB THR A 90 19.473 7.188 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.634 6.300 7.471 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.223 8.209 5.527 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.442 7.205 4.074 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.492 6.588 5.447 1.00 0.00 H new ATOM 1474 N ASN A 91 20.316 4.194 6.965 1.00 0.00 N ATOM 1475 CA ASN A 91 21.586 3.771 7.553 1.00 0.00 C ATOM 1476 C ASN A 91 21.925 2.319 7.202 1.00 0.00 C ATOM 1477 O ASN A 91 23.005 1.834 7.547 1.00 0.00 O ATOM 1478 CB ASN A 91 21.556 3.956 9.078 1.00 0.00 C ATOM 1479 CG ASN A 91 21.708 5.411 9.496 1.00 0.00 C ATOM 1480 OD1 ASN A 91 22.820 5.884 9.733 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.602 6.135 9.580 1.00 0.00 N ATOM 0 H ASN A 91 19.512 4.092 7.585 1.00 0.00 H new ATOM 0 HA ASN A 91 22.368 4.402 7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.616 3.566 9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.356 3.368 9.527 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.655 7.118 9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.697 5.710 9.376 1.00 0.00 H new ATOM 1488 N SER A 92 21.012 1.624 6.523 1.00 0.00 N ATOM 1489 CA SER A 92 21.243 0.227 6.143 1.00 0.00 C ATOM 1490 C SER A 92 21.082 0.005 4.632 1.00 0.00 C ATOM 1491 O SER A 92 21.258 -1.112 4.142 1.00 0.00 O ATOM 1492 CB SER A 92 20.279 -0.680 6.920 1.00 0.00 C ATOM 1493 OG SER A 92 20.342 -0.407 8.314 1.00 0.00 O ATOM 0 H SER A 92 20.112 2.000 6.226 1.00 0.00 H new ATOM 0 HA SER A 92 22.273 -0.024 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.261 -0.529 6.561 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.529 -1.725 6.738 1.00 0.00 H new ATOM 0 HG SER A 92 19.778 0.367 8.522 1.00 0.00 H new ATOM 1499 N ILE A 93 20.783 1.075 3.895 1.00 0.00 N ATOM 1500 CA ILE A 93 20.477 0.973 2.464 1.00 0.00 C ATOM 1501 C ILE A 93 21.703 0.534 1.659 1.00 0.00 C ATOM 1502 O ILE A 93 21.574 -0.009 0.558 1.00 0.00 O ATOM 1503 CB ILE A 93 19.933 2.317 1.900 1.00 0.00 C ATOM 1504 CG1 ILE A 93 19.429 2.145 0.456 1.00 0.00 C ATOM 1505 CG2 ILE A 93 20.994 3.415 1.969 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.264 1.186 0.325 1.00 0.00 C ATOM 0 H ILE A 93 20.746 2.025 4.264 1.00 0.00 H new ATOM 0 HA ILE A 93 19.702 0.213 2.362 1.00 0.00 H new ATOM 0 HB ILE A 93 19.091 2.619 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.132 3.119 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.251 1.791 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 93 20.585 4.342 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.292 3.569 3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.863 3.118 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 93 17.965 1.117 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.562 0.200 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.425 1.549 0.919 1.00 0.00 H new ATOM 1518 N THR A 94 22.888 0.769 2.214 1.00 0.00 N ATOM 1519 CA THR A 94 24.136 0.386 1.558 1.00 0.00 C ATOM 1520 C THR A 94 24.223 -1.136 1.389 1.00 0.00 C ATOM 1521 O THR A 94 24.896 -1.634 0.483 1.00 0.00 O ATOM 1522 CB THR A 94 25.362 0.904 2.350 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.571 0.677 1.612 1.00 0.00 O ATOM 1524 CG2 THR A 94 25.466 0.232 3.717 1.00 0.00 C ATOM 0 H THR A 94 23.011 1.224 3.119 1.00 0.00 H new ATOM 0 HA THR A 94 24.143 0.846 0.570 1.00 0.00 H new ATOM 0 HB THR A 94 25.225 1.975 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 94 27.336 1.011 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.337 0.618 4.247 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.566 0.443 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 94 25.569 -0.845 3.586 1.00 0.00 H new ATOM 1532 N GLN A 95 23.520 -1.870 2.253 1.00 0.00 N ATOM 1533 CA GLN A 95 23.504 -3.331 2.203 1.00 0.00 C ATOM 1534 C GLN A 95 22.182 -3.874 2.765 1.00 0.00 C ATOM 1535 O GLN A 95 22.110 -4.319 3.912 1.00 0.00 O ATOM 1536 CB GLN A 95 24.709 -3.917 2.965 1.00 0.00 C ATOM 1537 CG GLN A 95 24.846 -3.404 4.397 1.00 0.00 C ATOM 1538 CD GLN A 95 26.014 -4.022 5.147 1.00 0.00 C ATOM 1539 OE1 GLN A 95 27.029 -4.393 4.556 1.00 0.00 O ATOM 1540 NE2 GLN A 95 25.879 -4.133 6.458 1.00 0.00 N ATOM 0 H GLN A 95 22.951 -1.472 3.000 1.00 0.00 H new ATOM 0 HA GLN A 95 23.583 -3.640 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 95 24.620 -5.003 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 95 25.622 -3.683 2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.968 -2.321 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 95 23.924 -3.611 4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 95 25.023 -3.814 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 95 26.631 -4.537 7.016 1.00 0.00 H new ATOM 1549 N PRO A 96 21.101 -3.802 1.967 1.00 0.00 N ATOM 1550 CA PRO A 96 19.787 -4.298 2.369 1.00 0.00 C ATOM 1551 C PRO A 96 19.593 -5.776 2.016 1.00 0.00 C ATOM 1552 O PRO A 96 20.300 -6.320 1.164 1.00 0.00 O ATOM 1553 CB PRO A 96 18.843 -3.410 1.555 1.00 0.00 C ATOM 1554 CG PRO A 96 19.588 -3.131 0.286 1.00 0.00 C ATOM 1555 CD PRO A 96 21.066 -3.216 0.613 1.00 0.00 C ATOM 0 HA PRO A 96 19.625 -4.251 3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.897 -3.914 1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.608 -2.488 2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.321 -3.854 -0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.335 -2.144 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 96 21.598 -3.840 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 96 21.536 -2.233 0.592 1.00 0.00 H new ATOM 1563 N THR A 97 18.651 -6.421 2.691 1.00 0.00 N ATOM 1564 CA THR A 97 18.300 -7.807 2.411 1.00 0.00 C ATOM 1565 C THR A 97 17.086 -7.887 1.478 1.00 0.00 C ATOM 1566 O THR A 97 16.444 -6.872 1.202 1.00 0.00 O ATOM 1567 CB THR A 97 18.013 -8.568 3.722 1.00 0.00 C ATOM 1568 OG1 THR A 97 17.130 -7.792 4.546 1.00 0.00 O ATOM 1569 CG2 THR A 97 19.305 -8.861 4.482 1.00 0.00 C ATOM 0 H THR A 97 18.110 -6.000 3.446 1.00 0.00 H new ATOM 0 HA THR A 97 19.149 -8.274 1.912 1.00 0.00 H new ATOM 0 HB THR A 97 17.542 -9.519 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.947 -8.278 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 97 19.072 -9.398 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 97 19.962 -9.471 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 97 19.804 -7.923 4.726 1.00 0.00 H new ATOM 1577 N LEU A 98 16.771 -9.103 1.024 1.00 0.00 N ATOM 1578 CA LEU A 98 15.719 -9.336 0.024 1.00 0.00 C ATOM 1579 C LEU A 98 14.377 -8.714 0.416 1.00 0.00 C ATOM 1580 O LEU A 98 13.591 -8.336 -0.449 1.00 0.00 O ATOM 1581 CB LEU A 98 15.528 -10.845 -0.218 1.00 0.00 C ATOM 1582 CG LEU A 98 16.538 -11.510 -1.174 1.00 0.00 C ATOM 1583 CD1 LEU A 98 17.972 -11.344 -0.677 1.00 0.00 C ATOM 1584 CD2 LEU A 98 16.199 -12.988 -1.362 1.00 0.00 C ATOM 0 H LEU A 98 17.236 -9.955 1.337 1.00 0.00 H new ATOM 0 HA LEU A 98 16.054 -8.849 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 98 15.578 -11.356 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 98 14.525 -11.005 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 98 16.465 -11.009 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 98 18.657 -11.825 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 98 18.212 -10.283 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 98 18.072 -11.805 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.921 -13.444 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 98 16.236 -13.495 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 98 15.198 -13.081 -1.783 1.00 0.00 H new ATOM 1596 N HIS A 99 14.103 -8.620 1.711 1.00 0.00 N ATOM 1597 CA HIS A 99 12.813 -8.110 2.170 1.00 0.00 C ATOM 1598 C HIS A 99 13.009 -7.080 3.278 1.00 0.00 C ATOM 1599 O HIS A 99 12.156 -6.921 4.152 1.00 0.00 O ATOM 1600 CB HIS A 99 11.931 -9.275 2.651 1.00 0.00 C ATOM 1601 CG HIS A 99 10.470 -9.063 2.390 1.00 0.00 C ATOM 1602 ND1 HIS A 99 9.511 -9.028 3.381 1.00 0.00 N ATOM 1603 CD2 HIS A 99 9.806 -8.893 1.223 1.00 0.00 C ATOM 1604 CE1 HIS A 99 8.323 -8.848 2.832 1.00 0.00 C ATOM 1605 NE2 HIS A 99 8.477 -8.762 1.526 1.00 0.00 N ATOM 0 H HIS A 99 14.747 -8.886 2.456 1.00 0.00 H new ATOM 0 HA HIS A 99 12.311 -7.616 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.252 -10.192 2.156 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.084 -9.419 3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.243 -8.866 0.236 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.385 -8.782 3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.727 -8.621 0.850 1.00 0.00 H new ATOM 1614 N SER A 100 14.122 -6.353 3.202 1.00 0.00 N ATOM 1615 CA SER A 100 14.489 -5.362 4.216 1.00 0.00 C ATOM 1616 C SER A 100 13.372 -4.335 4.440 1.00 0.00 C ATOM 1617 O SER A 100 13.256 -3.758 5.522 1.00 0.00 O ATOM 1618 CB SER A 100 15.784 -4.649 3.801 1.00 0.00 C ATOM 1619 OG SER A 100 16.257 -3.781 4.821 1.00 0.00 O ATOM 0 H SER A 100 14.794 -6.433 2.439 1.00 0.00 H new ATOM 0 HA SER A 100 14.645 -5.889 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.549 -5.390 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.609 -4.078 2.890 1.00 0.00 H new ATOM 0 HG SER A 100 17.083 -3.346 4.523 1.00 0.00 H new ATOM 1625 N PHE A 101 12.542 -4.124 3.421 1.00 0.00 N ATOM 1626 CA PHE A 101 11.452 -3.150 3.496 1.00 0.00 C ATOM 1627 C PHE A 101 10.212 -3.748 4.168 1.00 0.00 C ATOM 1628 O PHE A 101 9.118 -3.205 4.046 1.00 0.00 O ATOM 1629 CB PHE A 101 11.099 -2.641 2.089 1.00 0.00 C ATOM 1630 CG PHE A 101 12.210 -1.862 1.427 1.00 0.00 C ATOM 1631 CD1 PHE A 101 12.336 -0.494 1.630 1.00 0.00 C ATOM 1632 CD2 PHE A 101 13.127 -2.494 0.600 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.351 0.223 1.024 1.00 0.00 C ATOM 1634 CE2 PHE A 101 14.143 -1.781 -0.009 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.255 -0.421 0.204 1.00 0.00 C ATOM 0 H PHE A 101 12.603 -4.616 2.530 1.00 0.00 H new ATOM 0 HA PHE A 101 11.792 -2.313 4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.839 -3.492 1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.213 -2.009 2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.632 0.017 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 101 13.046 -3.557 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.436 1.286 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 101 14.849 -2.287 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 101 15.049 0.137 -0.270 1.00 0.00 H new ATOM 1645 N ASP A 102 10.396 -4.854 4.890 1.00 0.00 N ATOM 1646 CA ASP A 102 9.298 -5.530 5.590 1.00 0.00 C ATOM 1647 C ASP A 102 8.597 -4.576 6.559 1.00 0.00 C ATOM 1648 O ASP A 102 7.370 -4.449 6.547 1.00 0.00 O ATOM 1649 CB ASP A 102 9.834 -6.748 6.354 1.00 0.00 C ATOM 1650 CG ASP A 102 8.735 -7.565 7.022 1.00 0.00 C ATOM 1651 OD1 ASP A 102 8.341 -7.231 8.163 1.00 0.00 O ATOM 1652 OD2 ASP A 102 8.276 -8.559 6.417 1.00 0.00 O ATOM 0 H ASP A 102 11.303 -5.306 5.007 1.00 0.00 H new ATOM 0 HA ASP A 102 8.572 -5.860 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.386 -7.387 5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.541 -6.412 7.113 1.00 0.00 H new ATOM 1657 N ALA A 103 9.389 -3.902 7.389 1.00 0.00 N ATOM 1658 CA ALA A 103 8.858 -2.941 8.355 1.00 0.00 C ATOM 1659 C ALA A 103 8.103 -1.821 7.642 1.00 0.00 C ATOM 1660 O ALA A 103 6.972 -1.482 8.006 1.00 0.00 O ATOM 1661 CB ALA A 103 9.986 -2.367 9.208 1.00 0.00 C ATOM 0 H ALA A 103 10.404 -4.003 7.413 1.00 0.00 H new ATOM 0 HA ALA A 103 8.159 -3.461 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.575 -1.653 9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.482 -3.175 9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.708 -1.863 8.565 1.00 0.00 H new ATOM 1667 N ALA A 104 8.733 -1.267 6.608 1.00 0.00 N ATOM 1668 CA ALA A 104 8.133 -0.200 5.812 1.00 0.00 C ATOM 1669 C ALA A 104 6.838 -0.679 5.165 1.00 0.00 C ATOM 1670 O ALA A 104 5.860 0.066 5.068 1.00 0.00 O ATOM 1671 CB ALA A 104 9.117 0.280 4.749 1.00 0.00 C ATOM 0 H ALA A 104 9.666 -1.543 6.301 1.00 0.00 H new ATOM 0 HA ALA A 104 7.897 0.636 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.659 1.076 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.018 0.658 5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.378 -0.551 4.093 1.00 0.00 H new ATOM 1677 N GLN A 105 6.845 -1.943 4.756 1.00 0.00 N ATOM 1678 CA GLN A 105 5.706 -2.573 4.101 1.00 0.00 C ATOM 1679 C GLN A 105 4.469 -2.489 4.997 1.00 0.00 C ATOM 1680 O GLN A 105 3.375 -2.147 4.543 1.00 0.00 O ATOM 1681 CB GLN A 105 6.055 -4.041 3.792 1.00 0.00 C ATOM 1682 CG GLN A 105 5.079 -4.743 2.864 1.00 0.00 C ATOM 1683 CD GLN A 105 5.481 -6.173 2.553 1.00 0.00 C ATOM 1684 OE1 GLN A 105 6.102 -6.848 3.372 1.00 0.00 O ATOM 1685 NE2 GLN A 105 5.140 -6.639 1.363 1.00 0.00 N ATOM 0 H GLN A 105 7.647 -2.563 4.871 1.00 0.00 H new ATOM 0 HA GLN A 105 5.483 -2.053 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.049 -4.078 3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.105 -4.594 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.088 -4.741 3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.004 -4.182 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.625 -6.047 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.392 -7.591 1.097 1.00 0.00 H new ATOM 1694 N SER A 106 4.669 -2.775 6.280 1.00 0.00 N ATOM 1695 CA SER A 106 3.592 -2.738 7.262 1.00 0.00 C ATOM 1696 C SER A 106 3.134 -1.297 7.512 1.00 0.00 C ATOM 1697 O SER A 106 1.936 -1.018 7.600 1.00 0.00 O ATOM 1698 CB SER A 106 4.070 -3.383 8.568 1.00 0.00 C ATOM 1699 OG SER A 106 4.652 -4.655 8.323 1.00 0.00 O ATOM 0 H SER A 106 5.576 -3.037 6.666 1.00 0.00 H new ATOM 0 HA SER A 106 2.740 -3.298 6.875 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.798 -2.733 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.230 -3.489 9.254 1.00 0.00 H new ATOM 0 HG SER A 106 4.951 -5.047 9.170 1.00 0.00 H new ATOM 1705 N ARG A 107 4.103 -0.385 7.604 1.00 0.00 N ATOM 1706 CA ARG A 107 3.823 1.025 7.881 1.00 0.00 C ATOM 1707 C ARG A 107 2.928 1.638 6.802 1.00 0.00 C ATOM 1708 O ARG A 107 1.978 2.364 7.108 1.00 0.00 O ATOM 1709 CB ARG A 107 5.130 1.823 7.980 1.00 0.00 C ATOM 1710 CG ARG A 107 6.045 1.412 9.134 1.00 0.00 C ATOM 1711 CD ARG A 107 5.429 1.712 10.496 1.00 0.00 C ATOM 1712 NE ARG A 107 6.392 1.523 11.582 1.00 0.00 N ATOM 1713 CZ ARG A 107 6.155 1.816 12.864 1.00 0.00 C ATOM 1714 NH1 ARG A 107 4.962 2.257 13.244 1.00 0.00 N ATOM 1715 NH2 ARG A 107 7.114 1.648 13.764 1.00 0.00 N ATOM 0 H ARG A 107 5.094 -0.599 7.490 1.00 0.00 H new ATOM 0 HA ARG A 107 3.297 1.074 8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.678 1.714 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.887 2.880 8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.260 0.346 9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.997 1.936 9.045 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.062 2.738 10.511 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.568 1.063 10.656 1.00 0.00 H new ATOM 0 HE ARG A 107 7.307 1.141 11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.219 2.374 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.789 2.479 14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.027 1.297 13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.938 1.870 14.744 1.00 0.00 H new ATOM 1729 N VAL A 108 3.231 1.341 5.542 1.00 0.00 N ATOM 1730 CA VAL A 108 2.484 1.904 4.417 1.00 0.00 C ATOM 1731 C VAL A 108 1.066 1.335 4.359 1.00 0.00 C ATOM 1732 O VAL A 108 0.097 2.068 4.155 1.00 0.00 O ATOM 1733 CB VAL A 108 3.211 1.644 3.074 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.419 2.211 1.895 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.619 2.232 3.117 1.00 0.00 C ATOM 0 H VAL A 108 3.989 0.714 5.272 1.00 0.00 H new ATOM 0 HA VAL A 108 2.423 2.981 4.575 1.00 0.00 H new ATOM 0 HB VAL A 108 3.287 0.566 2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.955 2.012 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.438 1.738 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.299 3.287 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.121 2.044 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.559 3.307 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.183 1.766 3.925 1.00 0.00 H new ATOM 1745 N TYR A 109 0.958 0.030 4.558 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.331 -0.656 4.548 1.00 0.00 C ATOM 1747 C TYR A 109 -1.296 -0.050 5.579 1.00 0.00 C ATOM 1748 O TYR A 109 -2.459 0.230 5.266 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.098 -2.156 4.803 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.339 -2.963 5.151 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.759 -3.093 6.473 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -2.078 -3.607 4.164 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.877 -3.838 6.799 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -3.198 -4.351 4.485 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.593 -4.464 5.802 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.710 -5.206 6.122 1.00 0.00 O ATOM 0 H TYR A 109 1.755 -0.583 4.730 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.801 -0.528 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.359 -2.591 3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.621 -2.261 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.201 -2.603 7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -1.772 -3.525 3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.187 -3.929 7.829 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.763 -4.843 3.707 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.131 -4.834 6.925 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.808 0.180 6.800 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.667 0.670 7.880 1.00 0.00 C ATOM 1768 C GLN A 110 -2.098 2.122 7.646 1.00 0.00 C ATOM 1769 O GLN A 110 -3.237 2.495 7.957 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.982 0.497 9.254 1.00 0.00 C ATOM 1771 CG GLN A 110 0.299 1.312 9.456 1.00 0.00 C ATOM 1772 CD GLN A 110 0.045 2.746 9.901 1.00 0.00 C ATOM 1773 OE1 GLN A 110 -0.930 3.033 10.600 1.00 0.00 O ATOM 1774 NE2 GLN A 110 0.909 3.660 9.487 1.00 0.00 N ATOM 0 H GLN A 110 0.167 0.037 7.064 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.573 0.064 7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.694 0.771 10.033 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.747 -0.558 9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.923 0.815 10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.863 1.324 8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.704 3.386 8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.779 4.638 9.745 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.205 2.944 7.087 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.540 4.344 6.817 1.00 0.00 C ATOM 1785 C LEU A 111 -2.481 4.441 5.619 1.00 0.00 C ATOM 1786 O LEU A 111 -3.290 5.366 5.525 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.271 5.211 6.628 1.00 0.00 C ATOM 1788 CG LEU A 111 0.670 4.848 5.457 1.00 0.00 C ATOM 1789 CD1 LEU A 111 0.151 5.380 4.121 1.00 0.00 C ATOM 1790 CD2 LEU A 111 2.083 5.367 5.725 1.00 0.00 C ATOM 0 H LEU A 111 -0.260 2.670 6.817 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.060 4.744 7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.587 6.246 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.307 5.167 7.551 1.00 0.00 H new ATOM 0 HG LEU A 111 0.699 3.761 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.843 5.102 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.830 4.952 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.070 6.466 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.732 5.102 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.058 6.451 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.468 4.918 6.641 1.00 0.00 H new ATOM 1802 N MET A 112 -2.381 3.466 4.717 1.00 0.00 N ATOM 1803 CA MET A 112 -3.288 3.376 3.577 1.00 0.00 C ATOM 1804 C MET A 112 -4.714 3.187 4.074 1.00 0.00 C ATOM 1805 O MET A 112 -5.658 3.758 3.532 1.00 0.00 O ATOM 1806 CB MET A 112 -2.896 2.206 2.667 1.00 0.00 C ATOM 1807 CG MET A 112 -3.848 1.991 1.496 1.00 0.00 C ATOM 1808 SD MET A 112 -3.434 0.529 0.526 1.00 0.00 S ATOM 1809 CE MET A 112 -1.776 0.938 -0.001 1.00 0.00 C ATOM 0 H MET A 112 -1.679 2.727 4.755 1.00 0.00 H new ATOM 0 HA MET A 112 -3.221 4.300 3.002 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.892 2.380 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.855 1.293 3.262 1.00 0.00 H new ATOM 0 HG2 MET A 112 -4.866 1.896 1.873 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.828 2.869 0.850 1.00 0.00 H new ATOM 0 HE1 MET A 112 -1.426 0.190 -0.712 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.777 1.919 -0.476 1.00 0.00 H new ATOM 0 HE3 MET A 112 -1.113 0.955 0.864 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.856 2.378 5.117 1.00 0.00 N ATOM 1820 CA GLU A 113 -6.152 2.140 5.737 1.00 0.00 C ATOM 1821 C GLU A 113 -6.741 3.458 6.253 1.00 0.00 C ATOM 1822 O GLU A 113 -7.783 3.914 5.773 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.995 1.103 6.871 1.00 0.00 C ATOM 1824 CG GLU A 113 -7.301 0.652 7.533 1.00 0.00 C ATOM 1825 CD GLU A 113 -7.776 1.592 8.633 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -7.112 1.651 9.693 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -8.812 2.263 8.451 1.00 0.00 O ATOM 0 H GLU A 113 -4.084 1.873 5.553 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.847 1.738 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.488 0.225 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.345 1.524 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -8.077 0.573 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.162 -0.345 7.952 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.029 4.097 7.180 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.540 5.288 7.870 1.00 0.00 C ATOM 1836 C GLN A 114 -6.748 6.476 6.920 1.00 0.00 C ATOM 1837 O GLN A 114 -7.459 7.428 7.259 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.590 5.689 9.006 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.224 6.167 8.528 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.296 6.542 9.669 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -3.363 5.970 10.758 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -2.417 7.505 9.430 1.00 0.00 N ATOM 0 H GLN A 114 -5.095 3.812 7.473 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.516 5.025 8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.056 6.480 9.594 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.454 4.836 9.671 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.759 5.383 7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.355 7.030 7.875 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.391 7.956 8.516 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -1.767 7.795 10.161 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.123 6.432 5.742 1.00 0.00 N ATOM 1852 CA ASP A 115 -6.246 7.521 4.763 1.00 0.00 C ATOM 1853 C ASP A 115 -7.054 7.093 3.541 1.00 0.00 C ATOM 1854 O ASP A 115 -8.158 7.588 3.301 1.00 0.00 O ATOM 1855 CB ASP A 115 -4.858 8.011 4.315 1.00 0.00 C ATOM 1856 CG ASP A 115 -4.927 8.880 3.060 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -5.330 10.058 3.163 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -4.601 8.377 1.965 1.00 0.00 O ATOM 0 H ASP A 115 -5.529 5.660 5.441 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.775 8.336 5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -4.398 8.580 5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.216 7.151 4.124 1.00 0.00 H new ATOM 1863 N SER A 116 -6.493 6.174 2.769 1.00 0.00 N ATOM 1864 CA SER A 116 -7.070 5.786 1.492 1.00 0.00 C ATOM 1865 C SER A 116 -8.338 4.950 1.675 1.00 0.00 C ATOM 1866 O SER A 116 -9.259 5.022 0.857 1.00 0.00 O ATOM 1867 CB SER A 116 -6.029 5.020 0.671 1.00 0.00 C ATOM 1868 OG SER A 116 -4.822 5.762 0.570 1.00 0.00 O ATOM 0 H SER A 116 -5.633 5.681 3.008 1.00 0.00 H new ATOM 0 HA SER A 116 -7.357 6.691 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.830 4.055 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.422 4.818 -0.326 1.00 0.00 H new ATOM 0 HG SER A 116 -4.953 6.654 0.955 1.00 0.00 H new ATOM 1874 N TYR A 117 -8.409 4.171 2.751 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.566 3.311 2.957 1.00 0.00 C ATOM 1876 C TYR A 117 -10.724 4.093 3.566 1.00 0.00 C ATOM 1877 O TYR A 117 -11.881 3.855 3.224 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.230 2.099 3.826 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.384 1.121 3.922 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -11.054 0.718 2.773 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.814 0.615 5.144 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -12.117 -0.153 2.835 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.878 -0.266 5.211 1.00 0.00 C ATOM 1884 CZ TYR A 117 -12.524 -0.642 4.051 1.00 0.00 C ATOM 1885 OH TYR A 117 -13.589 -1.502 4.104 1.00 0.00 O ATOM 0 H TYR A 117 -7.695 4.118 3.478 1.00 0.00 H new ATOM 0 HA TYR A 117 -9.868 2.942 1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.359 1.590 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.959 2.436 4.826 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.734 1.096 1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.311 0.914 6.052 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -12.629 -0.450 1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.201 -0.657 6.165 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.078 -1.470 3.255 1.00 0.00 H new ATOM 1895 N THR A 118 -10.418 5.027 4.460 1.00 0.00 N ATOM 1896 CA THR A 118 -11.451 5.854 5.074 1.00 0.00 C ATOM 1897 C THR A 118 -12.206 6.648 4.005 1.00 0.00 C ATOM 1898 O THR A 118 -13.443 6.662 3.979 1.00 0.00 O ATOM 1899 CB THR A 118 -10.846 6.810 6.125 1.00 0.00 C ATOM 1900 OG1 THR A 118 -9.715 7.491 5.566 1.00 0.00 O ATOM 1901 CG2 THR A 118 -10.419 6.047 7.376 1.00 0.00 C ATOM 0 H THR A 118 -9.469 5.230 4.774 1.00 0.00 H new ATOM 0 HA THR A 118 -12.153 5.193 5.582 1.00 0.00 H new ATOM 0 HB THR A 118 -11.609 7.536 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.977 7.483 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.996 6.743 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.285 5.551 7.813 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.670 5.301 7.109 1.00 0.00 H new ATOM 1909 N ARG A 119 -11.458 7.282 3.102 1.00 0.00 N ATOM 1910 CA ARG A 119 -12.065 8.000 1.985 1.00 0.00 C ATOM 1911 C ARG A 119 -12.862 7.019 1.111 1.00 0.00 C ATOM 1912 O ARG A 119 -13.929 7.356 0.592 1.00 0.00 O ATOM 1913 CB ARG A 119 -11.001 8.735 1.144 1.00 0.00 C ATOM 1914 CG ARG A 119 -10.085 7.811 0.350 1.00 0.00 C ATOM 1915 CD ARG A 119 -9.132 8.575 -0.565 1.00 0.00 C ATOM 1916 NE ARG A 119 -8.052 9.243 0.166 1.00 0.00 N ATOM 1917 CZ ARG A 119 -7.059 9.915 -0.428 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -7.047 10.063 -1.751 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -6.083 10.438 0.303 1.00 0.00 N ATOM 0 H ARG A 119 -10.439 7.312 3.123 1.00 0.00 H new ATOM 0 HA ARG A 119 -12.742 8.754 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.504 9.411 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -10.392 9.351 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.506 7.198 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -10.691 7.131 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -8.700 7.884 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.696 9.318 -1.129 1.00 0.00 H new ATOM 0 HE ARG A 119 -8.057 9.193 1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.797 9.663 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.288 10.576 -2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -6.090 10.328 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.326 10.950 -0.149 1.00 0.00 H new ATOM 1933 N PHE A 120 -12.343 5.794 0.976 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.025 4.744 0.220 1.00 0.00 C ATOM 1935 C PHE A 120 -14.336 4.352 0.907 1.00 0.00 C ATOM 1936 O PHE A 120 -15.316 4.025 0.245 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.116 3.514 0.056 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.733 2.402 -0.761 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.769 2.479 -2.146 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.279 1.285 -0.144 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.334 1.467 -2.898 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.846 0.270 -0.893 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.874 0.361 -2.269 1.00 0.00 C ATOM 0 H PHE A 120 -11.452 5.507 1.382 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.257 5.134 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.183 3.824 -0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -11.861 3.128 1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.350 3.341 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.261 1.208 0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.354 1.540 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.267 -0.594 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.317 -0.431 -2.854 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.353 4.400 2.235 1.00 0.00 N ATOM 1954 CA LEU A 121 -15.569 4.116 2.998 1.00 0.00 C ATOM 1955 C LEU A 121 -16.631 5.174 2.710 1.00 0.00 C ATOM 1956 O LEU A 121 -17.831 4.906 2.785 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.268 4.060 4.505 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.424 2.858 4.963 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.097 2.957 6.451 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.150 1.547 4.659 1.00 0.00 C ATOM 0 H LEU A 121 -13.541 4.632 2.807 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.948 3.142 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -14.750 4.976 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.213 4.047 5.047 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.486 2.871 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.500 2.096 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -13.535 3.872 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.023 2.974 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.539 0.707 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.105 1.530 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.325 1.468 3.586 1.00 0.00 H new ATOM 1972 N LYS A 122 -16.176 6.378 2.380 1.00 0.00 N ATOM 1973 CA LYS A 122 -17.077 7.483 2.060 1.00 0.00 C ATOM 1974 C LYS A 122 -17.337 7.574 0.548 1.00 0.00 C ATOM 1975 O LYS A 122 -18.213 8.324 0.107 1.00 0.00 O ATOM 1976 CB LYS A 122 -16.480 8.802 2.583 1.00 0.00 C ATOM 1977 CG LYS A 122 -17.411 10.010 2.461 1.00 0.00 C ATOM 1978 CD LYS A 122 -18.700 9.828 3.266 1.00 0.00 C ATOM 1979 CE LYS A 122 -18.426 9.657 4.760 1.00 0.00 C ATOM 1980 NZ LYS A 122 -17.728 10.837 5.342 1.00 0.00 N ATOM 0 H LYS A 122 -15.185 6.615 2.327 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.035 7.300 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.208 8.673 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.560 9.011 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.892 10.904 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -17.659 10.171 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -19.347 10.692 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -19.239 8.956 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -19.368 9.499 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.820 8.765 4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -17.698 10.747 6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.758 10.884 4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.240 11.705 5.085 1.00 0.00 H new ATOM 1994 N SER A 123 -16.581 6.810 -0.242 1.00 0.00 N ATOM 1995 CA SER A 123 -16.686 6.874 -1.704 1.00 0.00 C ATOM 1996 C SER A 123 -18.096 6.521 -2.183 1.00 0.00 C ATOM 1997 O SER A 123 -18.784 5.683 -1.586 1.00 0.00 O ATOM 1998 CB SER A 123 -15.673 5.933 -2.369 1.00 0.00 C ATOM 1999 OG SER A 123 -16.054 4.576 -2.213 1.00 0.00 O ATOM 0 H SER A 123 -15.892 6.142 0.102 1.00 0.00 H new ATOM 0 HA SER A 123 -16.467 7.902 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.593 6.171 -3.430 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.687 6.089 -1.932 1.00 0.00 H new ATOM 0 HG SER A 123 -16.026 4.335 -1.263 1.00 0.00 H new ATOM 2005 N ASP A 124 -18.508 7.159 -3.274 1.00 0.00 N ATOM 2006 CA ASP A 124 -19.821 6.930 -3.874 1.00 0.00 C ATOM 2007 C ASP A 124 -19.990 5.472 -4.290 1.00 0.00 C ATOM 2008 O ASP A 124 -21.076 4.903 -4.157 1.00 0.00 O ATOM 2009 CB ASP A 124 -20.014 7.833 -5.100 1.00 0.00 C ATOM 2010 CG ASP A 124 -20.106 9.307 -4.742 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -21.226 9.780 -4.447 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -19.066 9.996 -4.758 1.00 0.00 O ATOM 0 H ASP A 124 -17.943 7.849 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 124 -20.573 7.170 -3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -19.183 7.683 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.921 7.535 -5.625 1.00 0.00 H new ATOM 2017 N ILE A 125 -18.915 4.880 -4.798 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.953 3.508 -5.298 1.00 0.00 C ATOM 2019 C ILE A 125 -19.251 2.525 -4.159 1.00 0.00 C ATOM 2020 O ILE A 125 -20.129 1.668 -4.282 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.623 3.146 -6.038 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -17.673 1.736 -6.680 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.416 3.278 -5.108 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -17.327 0.590 -5.746 1.00 0.00 C ATOM 0 H ILE A 125 -18.003 5.329 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.762 3.429 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 125 -17.510 3.866 -6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -18.674 1.570 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -16.986 1.715 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.508 3.020 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.344 4.305 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -16.535 2.604 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -17.390 -0.353 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -16.314 0.723 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -18.028 0.576 -4.911 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.549 2.683 -3.039 1.00 0.00 N ATOM 2037 CA TYR A 126 -18.702 1.784 -1.893 1.00 0.00 C ATOM 2038 C TYR A 126 -20.094 1.918 -1.268 1.00 0.00 C ATOM 2039 O TYR A 126 -20.776 0.918 -1.018 1.00 0.00 O ATOM 2040 CB TYR A 126 -17.609 2.073 -0.855 1.00 0.00 C ATOM 2041 CG TYR A 126 -17.740 1.273 0.429 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.516 -0.101 0.448 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.081 1.897 1.623 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.632 -0.825 1.620 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -18.196 1.180 2.795 1.00 0.00 C ATOM 2046 CZ TYR A 126 -17.973 -0.179 2.790 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.093 -0.892 3.960 1.00 0.00 O ATOM 0 H TYR A 126 -17.866 3.427 -2.899 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.596 0.757 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -16.636 1.865 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -17.628 3.135 -0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -17.248 -0.609 -0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -18.259 2.962 1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -17.457 -1.891 1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -18.460 1.682 3.714 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.738 -1.796 3.830 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.516 3.157 -1.025 1.00 0.00 N ATOM 2058 CA LEU A 127 -21.823 3.419 -0.422 1.00 0.00 C ATOM 2059 C LEU A 127 -22.950 2.936 -1.334 1.00 0.00 C ATOM 2060 O LEU A 127 -24.017 2.544 -0.858 1.00 0.00 O ATOM 2061 CB LEU A 127 -21.978 4.918 -0.114 1.00 0.00 C ATOM 2062 CG LEU A 127 -20.987 5.476 0.921 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -21.195 6.977 1.121 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -21.115 4.729 2.247 1.00 0.00 C ATOM 0 H LEU A 127 -19.974 3.995 -1.236 1.00 0.00 H new ATOM 0 HA LEU A 127 -21.887 2.864 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -21.864 5.478 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -22.992 5.097 0.243 1.00 0.00 H new ATOM 0 HG LEU A 127 -19.977 5.324 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -20.482 7.348 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -21.041 7.495 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -22.210 7.160 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -20.405 5.139 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -22.128 4.843 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -20.903 3.671 2.091 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.701 2.953 -2.641 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.671 2.458 -3.618 1.00 0.00 C ATOM 2078 C ASP A 128 -23.839 0.944 -3.492 1.00 0.00 C ATOM 2079 O ASP A 128 -24.950 0.424 -3.591 1.00 0.00 O ATOM 2080 CB ASP A 128 -23.227 2.822 -5.042 1.00 0.00 C ATOM 2081 CG ASP A 128 -24.164 2.278 -6.115 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -25.208 2.912 -6.377 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -23.852 1.222 -6.710 1.00 0.00 O ATOM 0 H ASP A 128 -21.835 3.304 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.632 2.931 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -23.170 3.907 -5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -22.223 2.435 -5.214 1.00 0.00 H new ATOM 2088 N LEU A 129 -22.724 0.249 -3.254 1.00 0.00 N ATOM 2089 CA LEU A 129 -22.732 -1.211 -3.129 1.00 0.00 C ATOM 2090 C LEU A 129 -23.610 -1.655 -1.962 1.00 0.00 C ATOM 2091 O LEU A 129 -24.435 -2.559 -2.103 1.00 0.00 O ATOM 2092 CB LEU A 129 -21.304 -1.750 -2.936 1.00 0.00 C ATOM 2093 CG LEU A 129 -20.339 -1.513 -4.110 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -18.944 -2.035 -3.776 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -20.869 -2.163 -5.388 1.00 0.00 C ATOM 0 H LEU A 129 -21.803 0.674 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 129 -23.143 -1.619 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -20.880 -1.292 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -21.362 -2.822 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 129 -20.269 -0.439 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -18.277 -1.857 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -18.562 -1.516 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -18.995 -3.105 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -20.170 -1.982 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -20.976 -3.237 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -21.839 -1.734 -5.639 1.00 0.00 H new ATOM 2107 N MET A 130 -23.425 -1.021 -0.807 1.00 0.00 N ATOM 2108 CA MET A 130 -24.193 -1.381 0.384 1.00 0.00 C ATOM 2109 C MET A 130 -25.621 -0.840 0.307 1.00 0.00 C ATOM 2110 O MET A 130 -26.569 -1.536 0.674 1.00 0.00 O ATOM 2111 CB MET A 130 -23.510 -0.872 1.664 1.00 0.00 C ATOM 2112 CG MET A 130 -23.361 0.645 1.740 1.00 0.00 C ATOM 2113 SD MET A 130 -22.869 1.216 3.380 1.00 0.00 S ATOM 2114 CE MET A 130 -21.379 0.256 3.644 1.00 0.00 C ATOM 0 H MET A 130 -22.757 -0.263 -0.670 1.00 0.00 H new ATOM 0 HA MET A 130 -24.235 -2.470 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.083 -1.212 2.527 1.00 0.00 H new ATOM 0 HB3 MET A 130 -22.522 -1.326 1.739 1.00 0.00 H new ATOM 0 HG2 MET A 130 -22.620 0.970 1.009 1.00 0.00 H new ATOM 0 HG3 MET A 130 -24.306 1.113 1.465 1.00 0.00 H new ATOM 0 HE1 MET A 130 -20.890 0.587 4.560 1.00 0.00 H new ATOM 0 HE2 MET A 130 -21.637 -0.799 3.732 1.00 0.00 H new ATOM 0 HE3 MET A 130 -20.702 0.395 2.801 1.00 0.00 H new