USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 886 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 44 SER OG : rot 6:sc= 1.18 USER MOD Set 1.2: A 81 MET CE :methyl -174:sc= 0 (180deg=-0.0588) USER MOD Set 2.1: A 75 HIS : no HE2:sc= -1.56 X(o=-1.6,f=-1.8!) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 32 THR OG1 : rot -68:sc= 0.205 USER MOD Set 3.2: A 35 GLN : amide:sc= 0.865 K(o=1.1,f=-4.6!) USER MOD Single : A 10 GLN : amide:sc= 0.918 K(o=0.92,f=-6.1!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.567 K(o=-0.57,f=-2.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -3.68! C(o=-3.7!,f=-4.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -40:sc= 0.757 USER MOD Single : A 27 MET CE :methyl -159:sc= -0.229 (180deg=-1.06) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -1.11 F(o=-1.9,f=-1.1) USER MOD Single : A 38 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 43 SER OG : rot 87:sc= 0.867 USER MOD Single : A 47 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.84) USER MOD Single : A 49 GLN : amide:sc= -0.105 K(o=-0.11,f=-2.5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 57 SER OG : rot 63:sc= -0.763 USER MOD Single : A 61 GLN :FLIP amide:sc= -7.38! C(o=-8.2!,f=-7.4!) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0467) USER MOD Single : A 66 THR OG1 : rot -66:sc= 1.22 USER MOD Single : A 74 MET CE :methyl -116:sc= -0.397 (180deg=-0.977) USER MOD Single : A 82 SER OG : rot -23:sc= 0.0946 USER MOD Single : A 84 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.36) USER MOD Single : A 98 SER OG : rot -46:sc= 0.334 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.970 10.140 21.908 1.00 0.00 N ATOM 2 CA PRO A 1 -1.599 9.209 20.823 1.00 0.00 C ATOM 3 C PRO A 1 -0.775 9.931 19.765 1.00 0.00 C ATOM 4 O PRO A 1 -0.961 11.130 19.546 1.00 0.00 O ATOM 5 CB PRO A 1 -2.870 8.638 20.209 1.00 0.00 C ATOM 6 CG PRO A 1 -3.970 9.302 20.966 1.00 0.00 C ATOM 7 CD PRO A 1 -3.362 9.810 22.255 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.888 11.110 21.603 1.00 0.00 H new ATOM 0 H3 PRO A 1 -1.355 10.028 22.714 1.00 0.00 H new ATOM 0 HA PRO A 1 -0.993 8.398 21.227 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.931 8.857 19.143 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -2.911 7.554 20.314 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -4.397 10.122 20.389 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -4.779 8.600 21.169 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -3.895 10.685 22.626 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -3.406 9.054 23.039 1.00 0.00 H new ATOM 17 N PRO A 2 0.152 9.214 19.103 1.00 0.00 N ATOM 18 CA PRO A 2 1.015 9.793 18.069 1.00 0.00 C ATOM 19 C PRO A 2 0.229 10.217 16.834 1.00 0.00 C ATOM 20 O PRO A 2 -0.838 9.670 16.545 1.00 0.00 O ATOM 21 CB PRO A 2 1.987 8.654 17.713 1.00 0.00 C ATOM 22 CG PRO A 2 1.835 7.641 18.797 1.00 0.00 C ATOM 23 CD PRO A 2 0.433 7.786 19.309 1.00 0.00 C ATOM 0 HA PRO A 2 1.513 10.696 18.423 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.748 8.225 16.740 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.013 9.018 17.658 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.009 6.634 18.417 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.560 7.810 19.593 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.265 7.154 18.760 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.356 7.507 20.360 1.00 0.00 H new ATOM 31 N VAL A 3 0.757 11.190 16.109 1.00 0.00 N ATOM 32 CA VAL A 3 0.109 11.675 14.898 1.00 0.00 C ATOM 33 C VAL A 3 0.402 10.743 13.728 1.00 0.00 C ATOM 34 O VAL A 3 1.404 10.895 13.025 1.00 0.00 O ATOM 35 CB VAL A 3 0.562 13.102 14.538 1.00 0.00 C ATOM 36 CG1 VAL A 3 -0.238 13.644 13.362 1.00 0.00 C ATOM 37 CG2 VAL A 3 0.437 14.027 15.737 1.00 0.00 C ATOM 0 H VAL A 3 1.633 11.661 16.337 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.963 11.695 15.094 1.00 0.00 H new ATOM 0 HB VAL A 3 1.611 13.058 14.247 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.100 14.653 13.126 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.091 13.000 12.495 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.296 13.667 13.622 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.763 15.029 15.459 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.602 14.061 16.064 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.061 13.655 16.550 1.00 0.00 H new ATOM 47 N ALA A 4 -0.459 9.759 13.554 1.00 0.00 N ATOM 48 CA ALA A 4 -0.343 8.820 12.450 1.00 0.00 C ATOM 49 C ALA A 4 -1.536 8.957 11.514 1.00 0.00 C ATOM 50 O ALA A 4 -2.587 8.350 11.733 1.00 0.00 O ATOM 51 CB ALA A 4 -0.218 7.396 12.970 1.00 0.00 C ATOM 0 H ALA A 4 -1.255 9.587 14.169 1.00 0.00 H new ATOM 0 HA ALA A 4 0.561 9.052 11.887 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.132 6.708 12.129 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.669 7.314 13.598 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.102 7.144 13.556 1.00 0.00 H new ATOM 57 N GLU A 5 -1.378 9.785 10.489 1.00 0.00 N ATOM 58 CA GLU A 5 -2.456 10.058 9.555 1.00 0.00 C ATOM 59 C GLU A 5 -2.363 9.147 8.337 1.00 0.00 C ATOM 60 O GLU A 5 -1.268 8.772 7.919 1.00 0.00 O ATOM 61 CB GLU A 5 -2.417 11.528 9.130 1.00 0.00 C ATOM 62 CG GLU A 5 -3.443 11.889 8.069 1.00 0.00 C ATOM 63 CD GLU A 5 -3.509 13.374 7.791 1.00 0.00 C ATOM 64 OE1 GLU A 5 -2.499 13.951 7.342 1.00 0.00 O ATOM 65 OE2 GLU A 5 -4.588 13.970 8.004 1.00 0.00 O ATOM 0 H GLU A 5 -0.509 10.279 10.285 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.405 9.858 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.580 12.154 10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.421 11.761 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.203 11.362 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.425 11.541 8.388 1.00 0.00 H new ATOM 72 N TRP A 6 -3.516 8.782 7.790 1.00 0.00 N ATOM 73 CA TRP A 6 -3.576 7.971 6.583 1.00 0.00 C ATOM 74 C TRP A 6 -4.757 8.422 5.725 1.00 0.00 C ATOM 75 O TRP A 6 -5.920 8.286 6.119 1.00 0.00 O ATOM 76 CB TRP A 6 -3.700 6.488 6.946 1.00 0.00 C ATOM 77 CG TRP A 6 -3.373 5.563 5.818 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.604 5.843 4.724 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.791 4.204 5.678 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.524 4.742 3.911 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.245 3.724 4.474 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.577 3.345 6.453 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -3.456 2.426 4.028 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.790 2.056 6.007 1.00 0.00 C ATOM 85 CH2 TRP A 6 -4.231 1.607 4.804 1.00 0.00 C ATOM 0 H TRP A 6 -4.428 9.038 8.168 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.657 8.102 6.012 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.038 6.272 7.785 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.717 6.290 7.283 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.129 6.793 4.528 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.011 4.690 3.031 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.009 3.684 7.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.024 2.075 3.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.397 1.383 6.595 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.415 0.593 4.482 1.00 0.00 H new ATOM 96 N ALA A 7 -4.451 8.981 4.560 1.00 0.00 N ATOM 97 CA ALA A 7 -5.462 9.586 3.699 1.00 0.00 C ATOM 98 C ALA A 7 -6.156 8.556 2.814 1.00 0.00 C ATOM 99 O ALA A 7 -5.969 8.528 1.595 1.00 0.00 O ATOM 100 CB ALA A 7 -4.849 10.689 2.849 1.00 0.00 C ATOM 0 H ALA A 7 -3.503 9.028 4.187 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.222 10.019 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.618 11.128 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.431 11.459 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.058 10.271 2.226 1.00 0.00 H new ATOM 106 N VAL A 8 -6.928 7.695 3.441 1.00 0.00 N ATOM 107 CA VAL A 8 -7.777 6.761 2.727 1.00 0.00 C ATOM 108 C VAL A 8 -9.140 6.666 3.423 1.00 0.00 C ATOM 109 O VAL A 8 -9.210 6.564 4.650 1.00 0.00 O ATOM 110 CB VAL A 8 -7.113 5.364 2.625 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.895 4.747 3.995 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.927 4.432 1.740 1.00 0.00 C ATOM 0 H VAL A 8 -6.986 7.621 4.457 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.921 7.129 1.711 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.135 5.504 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.428 3.769 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.246 5.393 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.854 4.635 4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.437 3.460 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.926 4.312 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.002 4.855 0.738 1.00 0.00 H new ATOM 122 N PRO A 9 -10.239 6.760 2.653 1.00 0.00 N ATOM 123 CA PRO A 9 -11.603 6.650 3.184 1.00 0.00 C ATOM 124 C PRO A 9 -11.795 5.409 4.055 1.00 0.00 C ATOM 125 O PRO A 9 -11.602 4.284 3.599 1.00 0.00 O ATOM 126 CB PRO A 9 -12.484 6.572 1.927 1.00 0.00 C ATOM 127 CG PRO A 9 -11.540 6.382 0.785 1.00 0.00 C ATOM 128 CD PRO A 9 -10.246 7.004 1.211 1.00 0.00 C ATOM 0 HA PRO A 9 -11.849 7.490 3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.190 5.744 1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.071 7.482 1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.409 5.324 0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.921 6.856 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.391 6.542 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.211 8.068 0.979 1.00 0.00 H new ATOM 136 N GLN A 10 -12.188 5.641 5.297 1.00 0.00 N ATOM 137 CA GLN A 10 -12.316 4.594 6.314 1.00 0.00 C ATOM 138 C GLN A 10 -13.208 3.449 5.835 1.00 0.00 C ATOM 139 O GLN A 10 -12.797 2.291 5.861 1.00 0.00 O ATOM 140 CB GLN A 10 -12.905 5.216 7.586 1.00 0.00 C ATOM 141 CG GLN A 10 -12.845 4.334 8.823 1.00 0.00 C ATOM 142 CD GLN A 10 -11.434 4.164 9.345 1.00 0.00 C ATOM 143 OE1 GLN A 10 -10.740 3.212 8.999 1.00 0.00 O ATOM 144 NE2 GLN A 10 -10.992 5.103 10.166 1.00 0.00 N ATOM 0 H GLN A 10 -12.432 6.571 5.638 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.329 4.178 6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.376 6.146 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.946 5.478 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.469 4.767 9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.263 3.355 8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.601 5.878 10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.043 5.052 10.536 1.00 0.00 H new ATOM 153 N SER A 11 -14.415 3.774 5.390 1.00 0.00 N ATOM 154 CA SER A 11 -15.363 2.756 4.945 1.00 0.00 C ATOM 155 C SER A 11 -14.781 1.924 3.801 1.00 0.00 C ATOM 156 O SER A 11 -14.791 0.692 3.845 1.00 0.00 O ATOM 157 CB SER A 11 -16.667 3.423 4.503 1.00 0.00 C ATOM 158 OG SER A 11 -17.187 4.246 5.532 1.00 0.00 O ATOM 0 H SER A 11 -14.762 4.731 5.327 1.00 0.00 H new ATOM 0 HA SER A 11 -15.565 2.085 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.490 4.020 3.609 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.399 2.660 4.237 1.00 0.00 H new ATOM 0 HG SER A 11 -18.020 4.664 5.227 1.00 0.00 H new ATOM 164 N SER A 12 -14.246 2.606 2.798 1.00 0.00 N ATOM 165 CA SER A 12 -13.679 1.940 1.639 1.00 0.00 C ATOM 166 C SER A 12 -12.415 1.161 2.014 1.00 0.00 C ATOM 167 O SER A 12 -12.149 0.092 1.462 1.00 0.00 O ATOM 168 CB SER A 12 -13.365 2.968 0.545 1.00 0.00 C ATOM 169 OG SER A 12 -12.844 2.346 -0.616 1.00 0.00 O ATOM 0 H SER A 12 -14.194 3.624 2.766 1.00 0.00 H new ATOM 0 HA SER A 12 -14.413 1.228 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.271 3.518 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.647 3.696 0.923 1.00 0.00 H new ATOM 0 HG SER A 12 -12.655 3.027 -1.295 1.00 0.00 H new ATOM 175 N ARG A 13 -11.650 1.688 2.962 1.00 0.00 N ATOM 176 CA ARG A 13 -10.382 1.080 3.338 1.00 0.00 C ATOM 177 C ARG A 13 -10.618 -0.171 4.182 1.00 0.00 C ATOM 178 O ARG A 13 -9.880 -1.147 4.083 1.00 0.00 O ATOM 179 CB ARG A 13 -9.485 2.107 4.058 1.00 0.00 C ATOM 180 CG ARG A 13 -9.754 2.314 5.542 1.00 0.00 C ATOM 181 CD ARG A 13 -8.880 1.400 6.376 1.00 0.00 C ATOM 182 NE ARG A 13 -8.981 1.661 7.805 1.00 0.00 N ATOM 183 CZ ARG A 13 -8.101 1.226 8.706 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.049 0.507 8.327 1.00 0.00 N ATOM 185 NH2 ARG A 13 -8.272 1.512 9.988 1.00 0.00 N ATOM 0 H ARG A 13 -11.886 2.533 3.483 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.856 0.766 2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.447 1.798 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.592 3.067 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.563 3.353 5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.804 2.118 5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.158 0.364 6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.842 1.515 6.064 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.774 2.210 8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.911 0.285 7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.379 0.177 9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.077 2.065 10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.599 1.180 10.679 1.00 0.00 H new ATOM 199 N LEU A 14 -11.660 -0.142 5.000 1.00 0.00 N ATOM 200 CA LEU A 14 -12.052 -1.297 5.794 1.00 0.00 C ATOM 201 C LEU A 14 -12.490 -2.444 4.892 1.00 0.00 C ATOM 202 O LEU A 14 -12.263 -3.614 5.191 1.00 0.00 O ATOM 203 CB LEU A 14 -13.189 -0.913 6.733 1.00 0.00 C ATOM 204 CG LEU A 14 -12.802 0.008 7.888 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.012 0.309 8.758 1.00 0.00 C ATOM 206 CD2 LEU A 14 -11.686 -0.612 8.715 1.00 0.00 C ATOM 0 H LEU A 14 -12.254 0.677 5.132 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.194 -1.626 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.971 -0.427 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.620 -1.825 7.146 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.437 0.947 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.718 0.967 9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.779 0.798 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.408 -0.621 9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.424 0.059 9.533 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.021 -1.566 9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.812 -0.773 8.084 1.00 0.00 H new ATOM 218 N LYS A 15 -13.117 -2.078 3.790 1.00 0.00 N ATOM 219 CA LYS A 15 -13.567 -3.029 2.782 1.00 0.00 C ATOM 220 C LYS A 15 -12.383 -3.791 2.188 1.00 0.00 C ATOM 221 O LYS A 15 -12.456 -4.999 1.969 1.00 0.00 O ATOM 222 CB LYS A 15 -14.310 -2.261 1.689 1.00 0.00 C ATOM 223 CG LYS A 15 -15.132 -3.120 0.754 1.00 0.00 C ATOM 224 CD LYS A 15 -15.922 -2.243 -0.205 1.00 0.00 C ATOM 225 CE LYS A 15 -16.972 -3.027 -0.971 1.00 0.00 C ATOM 226 NZ LYS A 15 -17.776 -2.143 -1.857 1.00 0.00 N ATOM 0 H LYS A 15 -13.332 -1.107 3.564 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.233 -3.760 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.968 -1.531 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.583 -1.701 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.479 -3.788 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.813 -3.748 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.406 -1.442 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.238 -1.772 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.487 -3.798 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.632 -3.536 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.483 -2.711 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.258 -1.422 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.149 -1.677 -2.543 1.00 0.00 H new ATOM 240 N TYR A 16 -11.289 -3.084 1.941 1.00 0.00 N ATOM 241 CA TYR A 16 -10.087 -3.715 1.403 1.00 0.00 C ATOM 242 C TYR A 16 -9.297 -4.402 2.511 1.00 0.00 C ATOM 243 O TYR A 16 -8.500 -5.291 2.249 1.00 0.00 O ATOM 244 CB TYR A 16 -9.183 -2.695 0.705 1.00 0.00 C ATOM 245 CG TYR A 16 -9.869 -1.856 -0.348 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.759 -2.418 -1.254 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.617 -0.493 -0.436 1.00 0.00 C ATOM 248 CE1 TYR A 16 -11.379 -1.644 -2.217 1.00 0.00 C ATOM 249 CE2 TYR A 16 -10.232 0.285 -1.394 1.00 0.00 C ATOM 250 CZ TYR A 16 -11.110 -0.292 -2.281 1.00 0.00 C ATOM 251 OH TYR A 16 -11.721 0.484 -3.236 1.00 0.00 O ATOM 0 H TYR A 16 -11.206 -2.080 2.102 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.413 -4.455 0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.758 -2.031 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.351 -3.225 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.970 -3.476 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.928 -0.035 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.069 -2.094 -2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.025 1.344 -1.447 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.423 1.413 -3.142 1.00 0.00 H new ATOM 261 N ARG A 17 -9.506 -3.978 3.750 1.00 0.00 N ATOM 262 CA ARG A 17 -8.903 -4.654 4.896 1.00 0.00 C ATOM 263 C ARG A 17 -9.545 -6.026 5.065 1.00 0.00 C ATOM 264 O ARG A 17 -8.937 -6.965 5.571 1.00 0.00 O ATOM 265 CB ARG A 17 -9.077 -3.813 6.160 1.00 0.00 C ATOM 266 CG ARG A 17 -8.512 -4.460 7.412 1.00 0.00 C ATOM 267 CD ARG A 17 -8.534 -3.493 8.580 1.00 0.00 C ATOM 268 NE ARG A 17 -8.193 -4.142 9.845 1.00 0.00 N ATOM 269 CZ ARG A 17 -7.057 -3.926 10.510 1.00 0.00 C ATOM 270 NH1 ARG A 17 -6.113 -3.152 9.990 1.00 0.00 N ATOM 271 NH2 ARG A 17 -6.853 -4.503 11.688 1.00 0.00 N ATOM 0 H ARG A 17 -10.085 -3.173 3.989 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.834 -4.781 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.593 -2.848 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.139 -3.618 6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.092 -5.349 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.489 -4.788 7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.832 -2.681 8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.525 -3.045 8.659 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.864 -4.799 10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.254 -2.719 9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.246 -2.990 10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.566 -5.114 12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.983 -4.336 12.194 1.00 0.00 H new ATOM 285 N GLN A 18 -10.777 -6.118 4.594 1.00 0.00 N ATOM 286 CA GLN A 18 -11.563 -7.342 4.616 1.00 0.00 C ATOM 287 C GLN A 18 -11.108 -8.335 3.546 1.00 0.00 C ATOM 288 O GLN A 18 -11.481 -9.505 3.561 1.00 0.00 O ATOM 289 CB GLN A 18 -13.015 -6.975 4.369 1.00 0.00 C ATOM 290 CG GLN A 18 -13.847 -6.868 5.633 1.00 0.00 C ATOM 291 CD GLN A 18 -15.254 -6.382 5.359 1.00 0.00 C ATOM 292 OE1 GLN A 18 -16.165 -7.175 5.118 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.441 -5.072 5.390 1.00 0.00 N ATOM 0 H GLN A 18 -11.270 -5.328 4.177 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.432 -7.821 5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.054 -6.023 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.462 -7.723 3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.891 -7.842 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.359 -6.186 6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.659 -4.450 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.367 -4.685 5.210 1.00 0.00 H new ATOM 302 N LEU A 19 -10.309 -7.848 2.624 1.00 0.00 N ATOM 303 CA LEU A 19 -9.933 -8.594 1.421 1.00 0.00 C ATOM 304 C LEU A 19 -8.650 -8.046 0.855 1.00 0.00 C ATOM 305 O LEU A 19 -8.508 -8.019 -0.361 1.00 0.00 O ATOM 306 CB LEU A 19 -10.992 -8.326 0.368 1.00 0.00 C ATOM 307 CG LEU A 19 -11.264 -9.458 -0.624 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.793 -10.688 0.087 1.00 0.00 C ATOM 309 CD2 LEU A 19 -12.238 -8.998 -1.696 1.00 0.00 C ATOM 0 H LEU A 19 -9.893 -6.918 2.678 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.830 -9.650 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.926 -8.085 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.698 -7.441 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.322 -9.726 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.978 -11.478 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.059 -11.031 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.723 -10.441 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.422 -9.814 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.177 -8.700 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.814 -8.149 -2.233 1.00 0.00 H new ATOM 321 N PHE A 20 -7.673 -7.690 1.669 1.00 0.00 N ATOM 322 CA PHE A 20 -6.924 -8.555 2.611 1.00 0.00 C ATOM 323 C PHE A 20 -7.655 -9.690 3.338 1.00 0.00 C ATOM 324 O PHE A 20 -7.502 -10.828 2.925 1.00 0.00 O ATOM 325 CB PHE A 20 -6.224 -7.670 3.638 1.00 0.00 C ATOM 326 CG PHE A 20 -4.934 -8.246 4.146 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.834 -8.337 3.309 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.815 -8.682 5.452 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.638 -8.854 3.766 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.623 -9.201 5.915 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.532 -9.287 5.070 1.00 0.00 C ATOM 0 H PHE A 20 -7.346 -6.724 1.705 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.249 -9.101 1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.026 -6.696 3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.895 -7.504 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.913 -7.999 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.663 -8.616 6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.788 -8.919 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.542 -9.540 6.937 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.599 -9.693 5.431 1.00 0.00 H new ATOM 341 N ASN A 21 -8.425 -9.414 4.385 1.00 0.00 N ATOM 342 CA ASN A 21 -8.728 -10.437 5.418 1.00 0.00 C ATOM 343 C ASN A 21 -9.167 -11.793 4.835 1.00 0.00 C ATOM 344 O ASN A 21 -8.580 -12.821 5.177 1.00 0.00 O ATOM 345 CB ASN A 21 -9.808 -9.906 6.379 1.00 0.00 C ATOM 346 CG ASN A 21 -10.039 -10.787 7.604 1.00 0.00 C ATOM 347 OD1 ASN A 21 -9.896 -12.008 7.560 1.00 0.00 O ATOM 348 ND2 ASN A 21 -10.404 -10.165 8.714 1.00 0.00 N ATOM 0 H ASN A 21 -8.854 -8.504 4.553 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.797 -10.619 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.524 -8.907 6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.747 -9.806 5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.575 -10.700 9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.514 -9.151 8.718 1.00 0.00 H new ATOM 355 N SER A 22 -10.157 -11.814 3.954 1.00 0.00 N ATOM 356 CA SER A 22 -10.636 -13.072 3.391 1.00 0.00 C ATOM 357 C SER A 22 -9.633 -13.670 2.398 1.00 0.00 C ATOM 358 O SER A 22 -9.610 -14.883 2.178 1.00 0.00 O ATOM 359 CB SER A 22 -11.998 -12.874 2.735 1.00 0.00 C ATOM 360 OG SER A 22 -12.982 -12.550 3.700 1.00 0.00 O ATOM 0 H SER A 22 -10.642 -10.983 3.615 1.00 0.00 H new ATOM 0 HA SER A 22 -10.742 -13.784 4.210 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.936 -12.079 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.287 -13.782 2.206 1.00 0.00 H new ATOM 0 HG SER A 22 -13.847 -12.426 3.256 1.00 0.00 H new ATOM 366 N HIS A 23 -8.802 -12.818 1.807 1.00 0.00 N ATOM 367 CA HIS A 23 -7.758 -13.269 0.891 1.00 0.00 C ATOM 368 C HIS A 23 -6.604 -13.893 1.670 1.00 0.00 C ATOM 369 O HIS A 23 -6.050 -14.918 1.267 1.00 0.00 O ATOM 370 CB HIS A 23 -7.223 -12.106 0.044 1.00 0.00 C ATOM 371 CG HIS A 23 -8.098 -11.716 -1.113 1.00 0.00 C ATOM 372 ND1 HIS A 23 -8.029 -10.483 -1.726 1.00 0.00 N ATOM 373 CD2 HIS A 23 -9.025 -12.420 -1.805 1.00 0.00 C ATOM 374 CE1 HIS A 23 -8.873 -10.448 -2.741 1.00 0.00 C ATOM 375 NE2 HIS A 23 -9.491 -11.611 -2.813 1.00 0.00 N ATOM 0 H HIS A 23 -8.831 -11.808 1.946 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.199 -14.013 0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.088 -11.237 0.689 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.238 -12.376 -0.338 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -7.420 -9.716 -1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.340 -13.433 -1.602 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.031 -9.608 -3.401 1.00 0.00 H new ATOM 384 N ASP A 24 -6.252 -13.267 2.787 1.00 0.00 N ATOM 385 CA ASP A 24 -5.140 -13.725 3.611 1.00 0.00 C ATOM 386 C ASP A 24 -5.532 -14.991 4.369 1.00 0.00 C ATOM 387 O ASP A 24 -6.716 -15.284 4.548 1.00 0.00 O ATOM 388 CB ASP A 24 -4.718 -12.630 4.599 1.00 0.00 C ATOM 389 CG ASP A 24 -3.379 -12.911 5.269 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.332 -13.727 6.213 1.00 0.00 O ATOM 391 OD2 ASP A 24 -2.371 -12.303 4.873 1.00 0.00 O ATOM 0 H ASP A 24 -6.724 -12.436 3.144 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.296 -13.950 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.661 -11.677 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.486 -12.525 5.366 1.00 0.00 H new ATOM 396 N LYS A 25 -4.534 -15.730 4.821 1.00 0.00 N ATOM 397 CA LYS A 25 -4.758 -16.994 5.505 1.00 0.00 C ATOM 398 C LYS A 25 -5.128 -16.767 6.971 1.00 0.00 C ATOM 399 O LYS A 25 -5.836 -17.574 7.570 1.00 0.00 O ATOM 400 CB LYS A 25 -3.505 -17.872 5.403 1.00 0.00 C ATOM 401 CG LYS A 25 -2.260 -17.226 5.991 1.00 0.00 C ATOM 402 CD LYS A 25 -1.025 -18.088 5.789 1.00 0.00 C ATOM 403 CE LYS A 25 -0.666 -18.232 4.315 1.00 0.00 C ATOM 404 NZ LYS A 25 0.589 -19.006 4.127 1.00 0.00 N ATOM 0 H LYS A 25 -3.551 -15.474 4.726 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.592 -17.503 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.690 -18.816 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.321 -18.108 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.103 -16.252 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.410 -17.051 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.184 -17.649 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.197 -19.075 6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.482 -18.728 3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.554 -17.243 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.801 -19.083 3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.372 -18.520 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.473 -19.958 4.530 1.00 0.00 H new ATOM 418 N THR A 26 -4.657 -15.664 7.539 1.00 0.00 N ATOM 419 CA THR A 26 -4.900 -15.367 8.943 1.00 0.00 C ATOM 420 C THR A 26 -4.831 -13.857 9.199 1.00 0.00 C ATOM 421 O THR A 26 -4.556 -13.420 10.318 1.00 0.00 O ATOM 422 CB THR A 26 -3.876 -16.109 9.838 1.00 0.00 C ATOM 423 OG1 THR A 26 -4.204 -15.936 11.221 1.00 0.00 O ATOM 424 CG2 THR A 26 -2.452 -15.621 9.580 1.00 0.00 C ATOM 0 H THR A 26 -4.105 -14.961 7.048 1.00 0.00 H new ATOM 0 HA THR A 26 -5.902 -15.714 9.195 1.00 0.00 H new ATOM 0 HB THR A 26 -3.925 -17.168 9.585 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.501 -15.015 11.374 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.759 -16.162 10.224 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.190 -15.798 8.537 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.389 -14.554 9.794 1.00 0.00 H new ATOM 432 N MET A 27 -5.103 -13.085 8.144 1.00 0.00 N ATOM 433 CA MET A 27 -5.055 -11.612 8.154 1.00 0.00 C ATOM 434 C MET A 27 -3.723 -11.085 8.708 1.00 0.00 C ATOM 435 O MET A 27 -3.651 -9.979 9.247 1.00 0.00 O ATOM 436 CB MET A 27 -6.252 -11.007 8.917 1.00 0.00 C ATOM 437 CG MET A 27 -6.144 -11.050 10.437 1.00 0.00 C ATOM 438 SD MET A 27 -7.540 -10.260 11.260 1.00 0.00 S ATOM 439 CE MET A 27 -7.462 -8.610 10.562 1.00 0.00 C ATOM 0 H MET A 27 -5.369 -13.470 7.238 1.00 0.00 H new ATOM 0 HA MET A 27 -5.127 -11.289 7.116 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.372 -9.969 8.607 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.157 -11.536 8.618 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.076 -12.088 10.763 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.221 -10.559 10.745 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.989 -7.914 11.214 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.420 -8.303 10.470 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.929 -8.609 9.577 1.00 0.00 H new ATOM 449 N SER A 28 -2.658 -11.859 8.525 1.00 0.00 N ATOM 450 CA SER A 28 -1.338 -11.481 9.025 1.00 0.00 C ATOM 451 C SER A 28 -0.236 -12.186 8.238 1.00 0.00 C ATOM 452 O SER A 28 0.886 -12.336 8.724 1.00 0.00 O ATOM 453 CB SER A 28 -1.208 -11.831 10.513 1.00 0.00 C ATOM 454 OG SER A 28 -2.163 -11.132 11.300 1.00 0.00 O ATOM 0 H SER A 28 -2.682 -12.753 8.034 1.00 0.00 H new ATOM 0 HA SER A 28 -1.228 -10.404 8.898 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.340 -12.905 10.648 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.203 -11.588 10.858 1.00 0.00 H new ATOM 0 HG SER A 28 -2.054 -11.379 12.242 1.00 0.00 H new ATOM 460 N GLY A 29 -0.546 -12.598 7.018 1.00 0.00 N ATOM 461 CA GLY A 29 0.410 -13.349 6.235 1.00 0.00 C ATOM 462 C GLY A 29 1.096 -12.514 5.174 1.00 0.00 C ATOM 463 O GLY A 29 2.103 -12.948 4.630 1.00 0.00 O ATOM 0 H GLY A 29 -1.440 -12.426 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.163 -13.771 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.099 -14.186 5.757 1.00 0.00 H new ATOM 467 N HIS A 30 0.550 -11.312 4.914 1.00 0.00 N ATOM 468 CA HIS A 30 1.001 -10.394 3.841 1.00 0.00 C ATOM 469 C HIS A 30 1.058 -11.071 2.475 1.00 0.00 C ATOM 470 O HIS A 30 1.737 -12.074 2.267 1.00 0.00 O ATOM 471 CB HIS A 30 2.326 -9.671 4.149 1.00 0.00 C ATOM 472 CG HIS A 30 3.529 -10.523 4.443 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.304 -11.288 3.635 1.00 0.00 N flip ATOM 474 CD2 HIS A 30 4.087 -10.614 5.696 1.00 0.00 C flip ATOM 475 CE1 HIS A 30 5.302 -11.822 4.413 1.00 0.00 C flip ATOM 476 NE2 HIS A 30 5.145 -11.396 5.651 1.00 0.00 N flip ATOM 0 H HIS A 30 -0.233 -10.940 5.452 1.00 0.00 H new ATOM 0 HA HIS A 30 0.231 -9.623 3.804 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.566 -9.032 3.299 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.161 -9.016 5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.715 -10.120 6.581 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.085 -12.481 4.068 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.744 -11.633 6.442 1.00 0.00 H new ATOM 485 N LEU A 31 0.365 -10.481 1.530 1.00 0.00 N ATOM 486 CA LEU A 31 0.248 -11.064 0.202 1.00 0.00 C ATOM 487 C LEU A 31 1.548 -10.886 -0.572 1.00 0.00 C ATOM 488 O LEU A 31 2.139 -9.807 -0.570 1.00 0.00 O ATOM 489 CB LEU A 31 -0.923 -10.434 -0.559 1.00 0.00 C ATOM 490 CG LEU A 31 -2.299 -10.663 0.073 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.382 -9.967 -0.735 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.594 -12.149 0.176 1.00 0.00 C ATOM 0 H LEU A 31 -0.129 -9.597 1.650 1.00 0.00 H new ATOM 0 HA LEU A 31 0.053 -12.131 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.750 -9.361 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.934 -10.832 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.290 -10.238 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.352 -10.142 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.182 -8.896 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.390 -10.363 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.575 -12.295 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.583 -12.592 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.835 -12.628 0.795 1.00 0.00 H new ATOM 504 N THR A 32 2.000 -11.952 -1.216 1.00 0.00 N ATOM 505 CA THR A 32 3.247 -11.908 -1.964 1.00 0.00 C ATOM 506 C THR A 32 3.067 -11.170 -3.283 1.00 0.00 C ATOM 507 O THR A 32 1.946 -10.798 -3.645 1.00 0.00 O ATOM 508 CB THR A 32 3.790 -13.325 -2.233 1.00 0.00 C ATOM 509 OG1 THR A 32 2.763 -14.144 -2.808 1.00 0.00 O ATOM 510 CG2 THR A 32 4.295 -13.965 -0.949 1.00 0.00 C ATOM 0 H THR A 32 1.524 -12.854 -1.236 1.00 0.00 H new ATOM 0 HA THR A 32 3.970 -11.368 -1.352 1.00 0.00 H new ATOM 0 HB THR A 32 4.623 -13.243 -2.931 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.065 -14.309 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.673 -14.964 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.096 -13.356 -0.530 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.478 -14.034 -0.231 1.00 0.00 H new ATOM 518 N GLY A 33 4.172 -10.968 -3.994 1.00 0.00 N ATOM 519 CA GLY A 33 4.151 -10.236 -5.248 1.00 0.00 C ATOM 520 C GLY A 33 3.112 -10.753 -6.223 1.00 0.00 C ATOM 521 O GLY A 33 2.154 -10.044 -6.532 1.00 0.00 O ATOM 0 H GLY A 33 5.095 -11.304 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.956 -9.183 -5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.136 -10.294 -5.712 1.00 0.00 H new ATOM 525 N PRO A 34 3.271 -11.990 -6.724 1.00 0.00 N ATOM 526 CA PRO A 34 2.331 -12.580 -7.682 1.00 0.00 C ATOM 527 C PRO A 34 0.889 -12.563 -7.179 1.00 0.00 C ATOM 528 O PRO A 34 -0.025 -12.213 -7.922 1.00 0.00 O ATOM 529 CB PRO A 34 2.821 -14.022 -7.828 1.00 0.00 C ATOM 530 CG PRO A 34 4.260 -13.982 -7.448 1.00 0.00 C ATOM 531 CD PRO A 34 4.388 -12.902 -6.414 1.00 0.00 C ATOM 0 HA PRO A 34 2.313 -12.022 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.261 -14.696 -7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.693 -14.381 -8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.585 -14.943 -7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.886 -13.768 -8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.309 -13.303 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.350 -12.395 -6.481 1.00 0.00 H new ATOM 539 N GLN A 35 0.695 -12.929 -5.914 1.00 0.00 N ATOM 540 CA GLN A 35 -0.643 -12.970 -5.323 1.00 0.00 C ATOM 541 C GLN A 35 -1.308 -11.600 -5.382 1.00 0.00 C ATOM 542 O GLN A 35 -2.418 -11.461 -5.899 1.00 0.00 O ATOM 543 CB GLN A 35 -0.574 -13.461 -3.876 1.00 0.00 C ATOM 544 CG GLN A 35 -0.237 -14.937 -3.752 1.00 0.00 C ATOM 545 CD GLN A 35 -0.059 -15.375 -2.311 1.00 0.00 C ATOM 546 OE1 GLN A 35 0.381 -14.594 -1.463 1.00 0.00 O ATOM 547 NE2 GLN A 35 -0.387 -16.625 -2.023 1.00 0.00 N ATOM 0 H GLN A 35 1.445 -13.201 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.246 -13.668 -5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.175 -12.879 -3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.532 -13.273 -3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.030 -15.527 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.678 -15.145 -4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.747 -17.239 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.279 -16.974 -1.071 1.00 0.00 H new ATOM 556 N ALA A 36 -0.611 -10.591 -4.878 1.00 0.00 N ATOM 557 CA ALA A 36 -1.124 -9.230 -4.871 1.00 0.00 C ATOM 558 C ALA A 36 -1.350 -8.720 -6.293 1.00 0.00 C ATOM 559 O ALA A 36 -2.398 -8.147 -6.595 1.00 0.00 O ATOM 560 CB ALA A 36 -0.168 -8.320 -4.124 1.00 0.00 C ATOM 0 H ALA A 36 0.317 -10.692 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.087 -9.228 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.560 -7.303 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.062 -8.669 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.805 -8.334 -4.614 1.00 0.00 H new ATOM 566 N ARG A 37 -0.372 -8.960 -7.167 1.00 0.00 N ATOM 567 CA ARG A 37 -0.428 -8.495 -8.554 1.00 0.00 C ATOM 568 C ARG A 37 -1.591 -9.130 -9.306 1.00 0.00 C ATOM 569 O ARG A 37 -2.255 -8.470 -10.104 1.00 0.00 O ATOM 570 CB ARG A 37 0.884 -8.817 -9.272 1.00 0.00 C ATOM 571 CG ARG A 37 2.058 -7.969 -8.818 1.00 0.00 C ATOM 572 CD ARG A 37 3.313 -8.281 -9.620 1.00 0.00 C ATOM 573 NE ARG A 37 4.467 -7.511 -9.158 1.00 0.00 N ATOM 574 CZ ARG A 37 5.324 -6.896 -9.975 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.146 -6.948 -11.290 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.365 -6.233 -9.481 1.00 0.00 N ATOM 0 H ARG A 37 0.476 -9.478 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.579 -7.416 -8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.125 -9.868 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.743 -8.680 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.809 -6.913 -8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.248 -8.145 -7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.535 -9.346 -9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.132 -8.066 -10.673 1.00 0.00 H new ATOM 0 HE ARG A 37 4.626 -7.440 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.353 -7.459 -11.677 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.803 -6.477 -11.913 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.512 -6.193 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.017 -5.765 -10.111 1.00 0.00 H new ATOM 590 N THR A 38 -1.839 -10.401 -9.039 1.00 0.00 N ATOM 591 CA THR A 38 -2.916 -11.122 -9.696 1.00 0.00 C ATOM 592 C THR A 38 -4.270 -10.520 -9.323 1.00 0.00 C ATOM 593 O THR A 38 -5.139 -10.346 -10.175 1.00 0.00 O ATOM 594 CB THR A 38 -2.878 -12.622 -9.331 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.619 -13.184 -9.733 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.016 -13.388 -9.995 1.00 0.00 C ATOM 0 H THR A 38 -1.307 -10.957 -8.369 1.00 0.00 H new ATOM 0 HA THR A 38 -2.777 -11.028 -10.773 1.00 0.00 H new ATOM 0 HB THR A 38 -2.997 -12.710 -8.251 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.991 -13.149 -8.982 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.958 -14.440 -9.716 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.971 -12.978 -9.667 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.934 -13.295 -11.078 1.00 0.00 H new ATOM 604 N ILE A 39 -4.436 -10.177 -8.051 1.00 0.00 N ATOM 605 CA ILE A 39 -5.657 -9.530 -7.591 1.00 0.00 C ATOM 606 C ILE A 39 -5.772 -8.134 -8.202 1.00 0.00 C ATOM 607 O ILE A 39 -6.848 -7.711 -8.627 1.00 0.00 O ATOM 608 CB ILE A 39 -5.690 -9.427 -6.050 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.537 -10.819 -5.429 1.00 0.00 C ATOM 610 CG2 ILE A 39 -6.983 -8.771 -5.583 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.386 -10.801 -3.924 1.00 0.00 C ATOM 0 H ILE A 39 -3.741 -10.336 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.501 -10.140 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.858 -8.804 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.407 -11.421 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.667 -11.309 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.987 -8.708 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.055 -7.769 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.834 -9.367 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.283 -11.822 -3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.500 -10.227 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.267 -10.341 -3.475 1.00 0.00 H new ATOM 623 N LEU A 40 -4.642 -7.445 -8.267 1.00 0.00 N ATOM 624 CA LEU A 40 -4.567 -6.114 -8.855 1.00 0.00 C ATOM 625 C LEU A 40 -4.978 -6.128 -10.328 1.00 0.00 C ATOM 626 O LEU A 40 -5.784 -5.302 -10.766 1.00 0.00 O ATOM 627 CB LEU A 40 -3.142 -5.570 -8.713 1.00 0.00 C ATOM 628 CG LEU A 40 -2.743 -5.155 -7.296 1.00 0.00 C ATOM 629 CD1 LEU A 40 -1.312 -4.645 -7.277 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.692 -4.094 -6.762 1.00 0.00 C ATOM 0 H LEU A 40 -3.750 -7.792 -7.914 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.263 -5.466 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.443 -6.330 -9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.031 -4.709 -9.372 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.808 -6.030 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.043 -4.354 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.640 -5.433 -7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.224 -3.782 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.392 -3.812 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.659 -3.217 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.707 -4.491 -6.741 1.00 0.00 H new ATOM 642 N MET A 41 -4.435 -7.082 -11.079 1.00 0.00 N ATOM 643 CA MET A 41 -4.666 -7.167 -12.519 1.00 0.00 C ATOM 644 C MET A 41 -6.125 -7.474 -12.838 1.00 0.00 C ATOM 645 O MET A 41 -6.642 -7.054 -13.873 1.00 0.00 O ATOM 646 CB MET A 41 -3.760 -8.235 -13.142 1.00 0.00 C ATOM 647 CG MET A 41 -3.798 -8.261 -14.664 1.00 0.00 C ATOM 648 SD MET A 41 -2.774 -9.569 -15.361 1.00 0.00 S ATOM 649 CE MET A 41 -3.012 -9.280 -17.113 1.00 0.00 C ATOM 0 H MET A 41 -3.827 -7.813 -10.711 1.00 0.00 H new ATOM 0 HA MET A 41 -4.425 -6.194 -12.948 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.734 -8.063 -12.816 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.055 -9.214 -12.764 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.828 -8.395 -14.996 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.462 -7.298 -15.049 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.440 -10.012 -17.683 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.070 -9.376 -17.357 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.671 -8.276 -17.366 1.00 0.00 H new ATOM 659 N GLN A 42 -6.796 -8.176 -11.928 1.00 0.00 N ATOM 660 CA GLN A 42 -8.177 -8.608 -12.146 1.00 0.00 C ATOM 661 C GLN A 42 -9.166 -7.451 -12.056 1.00 0.00 C ATOM 662 O GLN A 42 -10.379 -7.657 -12.118 1.00 0.00 O ATOM 663 CB GLN A 42 -8.567 -9.689 -11.138 1.00 0.00 C ATOM 664 CG GLN A 42 -7.875 -11.021 -11.364 1.00 0.00 C ATOM 665 CD GLN A 42 -8.247 -12.044 -10.311 1.00 0.00 C ATOM 666 OE1 GLN A 42 -7.472 -12.096 -9.242 1.00 0.00 O flip ATOM 667 NE2 GLN A 42 -9.218 -12.786 -10.463 1.00 0.00 N flip ATOM 0 H GLN A 42 -6.405 -8.459 -11.029 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.224 -9.012 -13.157 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.334 -9.336 -10.133 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.646 -9.839 -11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.140 -11.404 -12.350 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.795 -10.873 -11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.790 -12.712 -11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.450 -13.475 -9.747 1.00 0.00 H new ATOM 676 N SER A 43 -8.660 -6.242 -11.902 1.00 0.00 N ATOM 677 CA SER A 43 -9.515 -5.074 -11.896 1.00 0.00 C ATOM 678 C SER A 43 -9.915 -4.716 -13.331 1.00 0.00 C ATOM 679 O SER A 43 -10.948 -5.169 -13.818 1.00 0.00 O ATOM 680 CB SER A 43 -8.805 -3.905 -11.208 1.00 0.00 C ATOM 681 OG SER A 43 -8.309 -4.295 -9.937 1.00 0.00 O ATOM 0 H SER A 43 -7.667 -6.045 -11.780 1.00 0.00 H new ATOM 0 HA SER A 43 -10.423 -5.292 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.983 -3.554 -11.832 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.497 -3.070 -11.093 1.00 0.00 H new ATOM 0 HG SER A 43 -7.414 -4.680 -10.039 1.00 0.00 H new ATOM 687 N SER A 44 -9.063 -3.948 -14.008 1.00 0.00 N ATOM 688 CA SER A 44 -9.294 -3.523 -15.397 1.00 0.00 C ATOM 689 C SER A 44 -8.064 -2.798 -15.956 1.00 0.00 C ATOM 690 O SER A 44 -8.129 -2.180 -17.018 1.00 0.00 O ATOM 691 CB SER A 44 -10.499 -2.573 -15.496 1.00 0.00 C ATOM 692 OG SER A 44 -11.733 -3.240 -15.283 1.00 0.00 O ATOM 0 H SER A 44 -8.190 -3.600 -13.612 1.00 0.00 H new ATOM 0 HA SER A 44 -9.491 -4.425 -15.977 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.390 -1.774 -14.762 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.508 -2.103 -16.480 1.00 0.00 H new ATOM 0 HG SER A 44 -11.562 -4.170 -15.025 1.00 0.00 H new ATOM 698 N LEU A 45 -6.945 -2.875 -15.246 1.00 0.00 N ATOM 699 CA LEU A 45 -5.789 -2.060 -15.574 1.00 0.00 C ATOM 700 C LEU A 45 -4.686 -2.890 -16.209 1.00 0.00 C ATOM 701 O LEU A 45 -4.524 -4.069 -15.891 1.00 0.00 O ATOM 702 CB LEU A 45 -5.268 -1.372 -14.315 1.00 0.00 C ATOM 703 CG LEU A 45 -6.263 -0.438 -13.630 1.00 0.00 C ATOM 704 CD1 LEU A 45 -5.659 0.137 -12.363 1.00 0.00 C ATOM 705 CD2 LEU A 45 -6.687 0.677 -14.578 1.00 0.00 C ATOM 0 H LEU A 45 -6.817 -3.491 -14.444 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.100 -1.308 -16.299 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.961 -2.137 -13.602 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.376 -0.801 -14.574 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.150 -1.012 -13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.379 0.801 -11.885 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.405 -0.674 -11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.758 0.698 -12.611 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.396 1.333 -14.074 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.811 1.252 -14.879 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.158 0.245 -15.461 1.00 0.00 H new ATOM 717 N PRO A 46 -3.920 -2.280 -17.120 1.00 0.00 N ATOM 718 CA PRO A 46 -2.758 -2.920 -17.724 1.00 0.00 C ATOM 719 C PRO A 46 -1.570 -2.923 -16.764 1.00 0.00 C ATOM 720 O PRO A 46 -1.509 -2.106 -15.838 1.00 0.00 O ATOM 721 CB PRO A 46 -2.470 -2.043 -18.942 1.00 0.00 C ATOM 722 CG PRO A 46 -2.973 -0.692 -18.566 1.00 0.00 C ATOM 723 CD PRO A 46 -4.133 -0.915 -17.633 1.00 0.00 C ATOM 0 HA PRO A 46 -2.933 -3.965 -17.978 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.404 -2.019 -19.169 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.977 -2.421 -19.830 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.191 -0.108 -18.081 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.286 -0.135 -19.449 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.143 -0.182 -16.826 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.087 -0.829 -18.154 1.00 0.00 H new ATOM 731 N GLN A 47 -0.624 -3.824 -16.993 1.00 0.00 N ATOM 732 CA GLN A 47 0.511 -3.993 -16.092 1.00 0.00 C ATOM 733 C GLN A 47 1.361 -2.726 -16.019 1.00 0.00 C ATOM 734 O GLN A 47 2.006 -2.465 -15.004 1.00 0.00 O ATOM 735 CB GLN A 47 1.368 -5.185 -16.530 1.00 0.00 C ATOM 736 CG GLN A 47 2.501 -5.508 -15.570 1.00 0.00 C ATOM 737 CD GLN A 47 2.012 -5.772 -14.161 1.00 0.00 C ATOM 738 OE1 GLN A 47 0.906 -6.269 -13.951 1.00 0.00 O ATOM 739 NE2 GLN A 47 2.835 -5.441 -13.181 1.00 0.00 N ATOM 0 H GLN A 47 -0.619 -4.451 -17.797 1.00 0.00 H new ATOM 0 HA GLN A 47 0.117 -4.188 -15.095 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.729 -6.062 -16.633 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.786 -4.978 -17.515 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.042 -6.382 -15.933 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.208 -4.679 -15.556 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.744 -5.031 -13.395 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.561 -5.596 -12.211 1.00 0.00 H new ATOM 748 N ALA A 48 1.354 -1.941 -17.092 1.00 0.00 N ATOM 749 CA ALA A 48 2.083 -0.675 -17.124 1.00 0.00 C ATOM 750 C ALA A 48 1.657 0.236 -15.977 1.00 0.00 C ATOM 751 O ALA A 48 2.496 0.796 -15.273 1.00 0.00 O ATOM 752 CB ALA A 48 1.875 0.027 -18.460 1.00 0.00 C ATOM 0 H ALA A 48 0.851 -2.159 -17.952 1.00 0.00 H new ATOM 0 HA ALA A 48 3.143 -0.897 -17.004 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.425 0.968 -18.466 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.238 -0.611 -19.266 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.813 0.226 -18.605 1.00 0.00 H new ATOM 758 N GLN A 49 0.351 0.384 -15.795 1.00 0.00 N ATOM 759 CA GLN A 49 -0.169 1.202 -14.710 1.00 0.00 C ATOM 760 C GLN A 49 -0.017 0.485 -13.373 1.00 0.00 C ATOM 761 O GLN A 49 0.274 1.109 -12.352 1.00 0.00 O ATOM 762 CB GLN A 49 -1.638 1.552 -14.949 1.00 0.00 C ATOM 763 CG GLN A 49 -1.870 2.428 -16.170 1.00 0.00 C ATOM 764 CD GLN A 49 -3.299 2.927 -16.268 1.00 0.00 C ATOM 765 OE1 GLN A 49 -4.156 2.279 -16.865 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.564 4.089 -15.691 1.00 0.00 N ATOM 0 H GLN A 49 -0.363 -0.049 -16.381 1.00 0.00 H new ATOM 0 HA GLN A 49 0.410 2.125 -14.681 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.208 0.630 -15.062 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.028 2.062 -14.068 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.193 3.281 -16.134 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.624 1.864 -17.069 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.825 4.597 -15.205 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.507 4.476 -15.733 1.00 0.00 H new ATOM 775 N LEU A 50 -0.208 -0.830 -13.391 1.00 0.00 N ATOM 776 CA LEU A 50 -0.122 -1.640 -12.185 1.00 0.00 C ATOM 777 C LEU A 50 1.265 -1.560 -11.558 1.00 0.00 C ATOM 778 O LEU A 50 1.396 -1.531 -10.337 1.00 0.00 O ATOM 779 CB LEU A 50 -0.467 -3.090 -12.509 1.00 0.00 C ATOM 780 CG LEU A 50 -1.914 -3.335 -12.938 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.115 -4.786 -13.335 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.876 -2.947 -11.821 1.00 0.00 C ATOM 0 H LEU A 50 -0.425 -1.359 -14.236 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.838 -1.248 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.194 -3.435 -13.304 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.257 -3.702 -11.632 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.125 -2.710 -13.806 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.151 -4.940 -13.637 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.454 -5.031 -14.167 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.885 -5.431 -12.487 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.901 -3.128 -12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.664 -3.545 -10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.752 -1.890 -11.584 1.00 0.00 H new ATOM 794 N ALA A 51 2.297 -1.516 -12.397 1.00 0.00 N ATOM 795 CA ALA A 51 3.667 -1.379 -11.918 1.00 0.00 C ATOM 796 C ALA A 51 3.856 -0.047 -11.199 1.00 0.00 C ATOM 797 O ALA A 51 4.533 0.028 -10.172 1.00 0.00 O ATOM 798 CB ALA A 51 4.653 -1.500 -13.072 1.00 0.00 C ATOM 0 H ALA A 51 2.209 -1.573 -13.412 1.00 0.00 H new ATOM 0 HA ALA A 51 3.861 -2.185 -11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.670 -1.395 -12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.541 -2.475 -13.546 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.455 -0.716 -13.803 1.00 0.00 H new ATOM 804 N SER A 52 3.237 1.001 -11.731 1.00 0.00 N ATOM 805 CA SER A 52 3.320 2.320 -11.126 1.00 0.00 C ATOM 806 C SER A 52 2.595 2.323 -9.782 1.00 0.00 C ATOM 807 O SER A 52 3.096 2.871 -8.802 1.00 0.00 O ATOM 808 CB SER A 52 2.722 3.375 -12.062 1.00 0.00 C ATOM 809 OG SER A 52 2.921 4.690 -11.563 1.00 0.00 O ATOM 0 H SER A 52 2.673 0.960 -12.580 1.00 0.00 H new ATOM 0 HA SER A 52 4.369 2.566 -10.959 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.177 3.287 -13.048 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.655 3.190 -12.186 1.00 0.00 H new ATOM 0 HG SER A 52 2.529 5.339 -12.184 1.00 0.00 H new ATOM 815 N ILE A 53 1.422 1.695 -9.742 1.00 0.00 N ATOM 816 CA ILE A 53 0.659 1.566 -8.504 1.00 0.00 C ATOM 817 C ILE A 53 1.430 0.734 -7.488 1.00 0.00 C ATOM 818 O ILE A 53 1.503 1.092 -6.319 1.00 0.00 O ATOM 819 CB ILE A 53 -0.722 0.919 -8.756 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.573 1.816 -9.659 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.441 0.647 -7.439 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.913 1.219 -10.024 1.00 0.00 C ATOM 0 H ILE A 53 0.979 1.267 -10.555 1.00 0.00 H new ATOM 0 HA ILE A 53 0.504 2.570 -8.110 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.567 -0.035 -9.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.735 2.770 -9.158 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.018 2.026 -10.573 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.411 0.192 -7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.842 -0.030 -6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.585 1.585 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.458 1.912 -10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.760 0.279 -10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.488 1.035 -9.117 1.00 0.00 H new ATOM 834 N TRP A 54 2.013 -0.367 -7.948 1.00 0.00 N ATOM 835 CA TRP A 54 2.796 -1.241 -7.082 1.00 0.00 C ATOM 836 C TRP A 54 3.937 -0.473 -6.428 1.00 0.00 C ATOM 837 O TRP A 54 4.113 -0.521 -5.213 1.00 0.00 O ATOM 838 CB TRP A 54 3.362 -2.424 -7.872 1.00 0.00 C ATOM 839 CG TRP A 54 4.105 -3.395 -7.008 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.418 -3.330 -6.632 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.568 -4.567 -6.393 1.00 0.00 C ATOM 842 NE1 TRP A 54 5.728 -4.398 -5.826 1.00 0.00 N ATOM 843 CE2 TRP A 54 4.609 -5.172 -5.664 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.307 -5.166 -6.388 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.421 -6.346 -4.940 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.125 -6.328 -5.669 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.176 -6.908 -4.954 1.00 0.00 C ATOM 0 H TRP A 54 1.958 -0.676 -8.918 1.00 0.00 H new ATOM 0 HA TRP A 54 2.131 -1.619 -6.305 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.546 -2.943 -8.375 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.030 -2.051 -8.649 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.109 -2.554 -6.925 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.643 -4.585 -5.415 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.488 -4.727 -6.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.231 -6.797 -4.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.153 -6.798 -5.658 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.001 -7.819 -4.401 1.00 0.00 H new ATOM 858 N ASN A 55 4.698 0.237 -7.248 1.00 0.00 N ATOM 859 CA ASN A 55 5.840 1.010 -6.768 1.00 0.00 C ATOM 860 C ASN A 55 5.392 2.051 -5.740 1.00 0.00 C ATOM 861 O ASN A 55 6.097 2.329 -4.771 1.00 0.00 O ATOM 862 CB ASN A 55 6.548 1.688 -7.950 1.00 0.00 C ATOM 863 CG ASN A 55 7.783 2.472 -7.538 1.00 0.00 C ATOM 864 OD1 ASN A 55 7.708 3.665 -7.235 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.931 1.811 -7.544 1.00 0.00 N ATOM 0 H ASN A 55 4.546 0.295 -8.255 1.00 0.00 H new ATOM 0 HA ASN A 55 6.541 0.333 -6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.834 0.929 -8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.848 2.360 -8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.796 2.289 -7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.950 0.824 -7.801 1.00 0.00 H new ATOM 872 N LEU A 56 4.215 2.617 -5.971 1.00 0.00 N ATOM 873 CA LEU A 56 3.622 3.591 -5.061 1.00 0.00 C ATOM 874 C LEU A 56 3.064 2.930 -3.796 1.00 0.00 C ATOM 875 O LEU A 56 3.013 3.549 -2.735 1.00 0.00 O ATOM 876 CB LEU A 56 2.507 4.359 -5.779 1.00 0.00 C ATOM 877 CG LEU A 56 2.978 5.321 -6.874 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.789 5.990 -7.547 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.924 6.364 -6.298 1.00 0.00 C ATOM 0 H LEU A 56 3.645 2.415 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 56 4.410 4.279 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.819 3.639 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.943 4.925 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 56 3.518 4.746 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.144 6.669 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.150 5.230 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.220 6.551 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.248 7.038 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.410 6.934 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.793 5.868 -5.866 1.00 0.00 H new ATOM 891 N SER A 57 2.652 1.675 -3.918 1.00 0.00 N ATOM 892 CA SER A 57 1.941 0.987 -2.847 1.00 0.00 C ATOM 893 C SER A 57 2.893 0.284 -1.880 1.00 0.00 C ATOM 894 O SER A 57 2.735 0.392 -0.664 1.00 0.00 O ATOM 895 CB SER A 57 0.959 -0.022 -3.449 1.00 0.00 C ATOM 896 OG SER A 57 0.151 -0.616 -2.451 1.00 0.00 O ATOM 0 H SER A 57 2.799 1.109 -4.754 1.00 0.00 H new ATOM 0 HA SER A 57 1.397 1.737 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.326 0.478 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.512 -0.797 -3.980 1.00 0.00 H new ATOM 0 HG SER A 57 -0.402 0.072 -2.025 1.00 0.00 H new ATOM 902 N ASP A 58 3.860 -0.453 -2.418 1.00 0.00 N ATOM 903 CA ASP A 58 4.818 -1.180 -1.584 1.00 0.00 C ATOM 904 C ASP A 58 5.790 -0.201 -0.941 1.00 0.00 C ATOM 905 O ASP A 58 6.464 0.564 -1.632 1.00 0.00 O ATOM 906 CB ASP A 58 5.580 -2.218 -2.414 1.00 0.00 C ATOM 907 CG ASP A 58 6.493 -3.098 -1.573 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.344 -2.555 -0.829 1.00 0.00 O ATOM 909 OD2 ASP A 58 6.382 -4.341 -1.667 1.00 0.00 O ATOM 0 H ASP A 58 4.003 -0.564 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 58 4.271 -1.705 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.865 -2.847 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.174 -1.705 -3.170 1.00 0.00 H new ATOM 914 N ILE A 59 5.861 -0.221 0.379 1.00 0.00 N ATOM 915 CA ILE A 59 6.675 0.747 1.096 1.00 0.00 C ATOM 916 C ILE A 59 7.956 0.123 1.646 1.00 0.00 C ATOM 917 O ILE A 59 8.986 0.794 1.748 1.00 0.00 O ATOM 918 CB ILE A 59 5.878 1.379 2.264 1.00 0.00 C ATOM 919 CG1 ILE A 59 4.557 1.971 1.756 1.00 0.00 C ATOM 920 CG2 ILE A 59 6.701 2.449 2.973 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.727 3.094 0.752 1.00 0.00 C ATOM 0 H ILE A 59 5.370 -0.890 0.972 1.00 0.00 H new ATOM 0 HA ILE A 59 6.948 1.519 0.377 1.00 0.00 H new ATOM 0 HB ILE A 59 5.654 0.591 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.967 1.176 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.987 2.343 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.117 2.876 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.611 2.002 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.964 3.235 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.747 3.457 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.288 3.909 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.268 2.725 -0.119 1.00 0.00 H new ATOM 933 N ASP A 60 7.912 -1.159 1.981 1.00 0.00 N ATOM 934 CA ASP A 60 9.001 -1.761 2.747 1.00 0.00 C ATOM 935 C ASP A 60 9.535 -3.056 2.133 1.00 0.00 C ATOM 936 O ASP A 60 10.673 -3.447 2.403 1.00 0.00 O ATOM 937 CB ASP A 60 8.518 -2.037 4.178 1.00 0.00 C ATOM 938 CG ASP A 60 9.550 -2.746 5.037 1.00 0.00 C ATOM 939 OD1 ASP A 60 10.497 -2.084 5.508 1.00 0.00 O ATOM 940 OD2 ASP A 60 9.412 -3.972 5.254 1.00 0.00 O ATOM 0 H ASP A 60 7.151 -1.794 1.741 1.00 0.00 H new ATOM 0 HA ASP A 60 9.826 -1.048 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.249 -1.093 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.612 -2.642 4.137 1.00 0.00 H new ATOM 945 N GLN A 61 8.753 -3.704 1.288 1.00 0.00 N ATOM 946 CA GLN A 61 9.037 -5.091 0.934 1.00 0.00 C ATOM 947 C GLN A 61 9.558 -5.252 -0.494 1.00 0.00 C ATOM 948 O GLN A 61 10.237 -6.237 -0.799 1.00 0.00 O ATOM 949 CB GLN A 61 7.783 -5.931 1.166 1.00 0.00 C ATOM 950 CG GLN A 61 7.236 -5.775 2.579 1.00 0.00 C ATOM 951 CD GLN A 61 6.013 -6.621 2.845 1.00 0.00 C ATOM 952 OE1 GLN A 61 4.851 -6.077 2.548 1.00 0.00 O flip ATOM 953 NE2 GLN A 61 6.112 -7.757 3.313 1.00 0.00 N flip ATOM 0 H GLN A 61 7.929 -3.304 0.839 1.00 0.00 H new ATOM 0 HA GLN A 61 9.843 -5.443 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.016 -5.641 0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.012 -6.981 0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.015 -6.041 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.989 -4.728 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.032 -8.141 3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.274 -8.313 3.484 1.00 0.00 H new ATOM 962 N ASP A 62 9.233 -4.299 -1.359 1.00 0.00 N ATOM 963 CA ASP A 62 9.689 -4.298 -2.755 1.00 0.00 C ATOM 964 C ASP A 62 9.073 -5.470 -3.532 1.00 0.00 C ATOM 965 O ASP A 62 9.452 -5.758 -4.667 1.00 0.00 O ATOM 966 CB ASP A 62 11.228 -4.333 -2.824 1.00 0.00 C ATOM 967 CG ASP A 62 11.778 -4.252 -4.242 1.00 0.00 C ATOM 968 OD1 ASP A 62 11.618 -3.199 -4.892 1.00 0.00 O ATOM 969 OD2 ASP A 62 12.375 -5.248 -4.712 1.00 0.00 O ATOM 0 H ASP A 62 8.645 -3.501 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 62 9.352 -3.374 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.628 -3.504 -2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.583 -5.252 -2.358 1.00 0.00 H new ATOM 974 N GLY A 63 8.089 -6.127 -2.934 1.00 0.00 N ATOM 975 CA GLY A 63 7.485 -7.269 -3.586 1.00 0.00 C ATOM 976 C GLY A 63 6.457 -7.987 -2.735 1.00 0.00 C ATOM 977 O GLY A 63 6.230 -9.180 -2.927 1.00 0.00 O ATOM 0 H GLY A 63 7.702 -5.893 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.011 -6.939 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.269 -7.974 -3.864 1.00 0.00 H new ATOM 981 N LYS A 64 5.833 -7.278 -1.797 1.00 0.00 N ATOM 982 CA LYS A 64 4.776 -7.865 -0.971 1.00 0.00 C ATOM 983 C LYS A 64 3.789 -6.780 -0.563 1.00 0.00 C ATOM 984 O LYS A 64 4.175 -5.635 -0.352 1.00 0.00 O ATOM 985 CB LYS A 64 5.330 -8.538 0.301 1.00 0.00 C ATOM 986 CG LYS A 64 6.491 -9.501 0.090 1.00 0.00 C ATOM 987 CD LYS A 64 6.888 -10.165 1.398 1.00 0.00 C ATOM 988 CE LYS A 64 8.150 -11.002 1.261 1.00 0.00 C ATOM 989 NZ LYS A 64 9.367 -10.165 1.065 1.00 0.00 N ATOM 0 H LYS A 64 6.038 -6.301 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 64 4.286 -8.632 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.651 -7.758 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.518 -9.079 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.210 -10.262 -0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.344 -8.963 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.043 -9.400 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.071 -10.798 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.274 -11.616 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.041 -11.684 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.215 -10.764 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.332 -9.715 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.406 -9.431 1.801 1.00 0.00 H new ATOM 1003 N LEU A 65 2.520 -7.136 -0.448 1.00 0.00 N ATOM 1004 CA LEU A 65 1.504 -6.189 -0.010 1.00 0.00 C ATOM 1005 C LEU A 65 0.826 -6.679 1.265 1.00 0.00 C ATOM 1006 O LEU A 65 0.079 -7.662 1.252 1.00 0.00 O ATOM 1007 CB LEU A 65 0.455 -5.951 -1.108 1.00 0.00 C ATOM 1008 CG LEU A 65 0.933 -5.129 -2.310 1.00 0.00 C ATOM 1009 CD1 LEU A 65 -0.245 -4.754 -3.196 1.00 0.00 C ATOM 1010 CD2 LEU A 65 1.670 -3.876 -1.853 1.00 0.00 C ATOM 0 H LEU A 65 2.168 -8.072 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 65 2.002 -5.242 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.105 -6.919 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.403 -5.447 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 65 1.626 -5.741 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.110 -4.170 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.732 -5.660 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.958 -4.162 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.999 -3.310 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.002 -3.260 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.537 -4.161 -1.257 1.00 0.00 H new ATOM 1022 N THR A 66 1.110 -6.009 2.372 1.00 0.00 N ATOM 1023 CA THR A 66 0.460 -6.312 3.638 1.00 0.00 C ATOM 1024 C THR A 66 -0.947 -5.712 3.668 1.00 0.00 C ATOM 1025 O THR A 66 -1.431 -5.208 2.655 1.00 0.00 O ATOM 1026 CB THR A 66 1.256 -5.754 4.825 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.330 -4.327 4.731 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.664 -6.322 4.879 1.00 0.00 C ATOM 0 H THR A 66 1.789 -5.249 2.419 1.00 0.00 H new ATOM 0 HA THR A 66 0.408 -7.397 3.724 1.00 0.00 H new ATOM 0 HB THR A 66 0.735 -6.048 5.736 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.862 -4.078 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.194 -5.901 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.615 -7.406 4.980 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.195 -6.067 3.962 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.589 -5.744 4.831 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.945 -5.219 4.969 1.00 0.00 C ATOM 1038 C ALA A 67 -2.996 -3.724 4.692 1.00 0.00 C ATOM 1039 O ALA A 67 -3.905 -3.241 4.021 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.490 -5.514 6.360 1.00 0.00 C ATOM 0 H ALA A 67 -1.194 -6.127 5.690 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.569 -5.719 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.501 -5.116 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.509 -6.592 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.851 -5.045 7.108 1.00 0.00 H new ATOM 1046 N GLU A 68 -2.013 -3.002 5.206 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.953 -1.558 5.033 1.00 0.00 C ATOM 1048 C GLU A 68 -1.699 -1.203 3.569 1.00 0.00 C ATOM 1049 O GLU A 68 -2.327 -0.301 3.014 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.837 -0.974 5.904 1.00 0.00 C ATOM 1051 CG GLU A 68 -0.951 -1.322 7.381 1.00 0.00 C ATOM 1052 CD GLU A 68 -2.153 -0.683 8.049 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -2.063 0.496 8.440 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -3.188 -1.370 8.206 1.00 0.00 O ATOM 0 H GLU A 68 -1.243 -3.393 5.748 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.910 -1.134 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.123 -1.330 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.838 0.111 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.015 -2.405 7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.044 -1.003 7.895 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.792 -1.937 2.947 1.00 0.00 N ATOM 1062 CA GLU A 69 -0.348 -1.625 1.596 1.00 0.00 C ATOM 1063 C GLU A 69 -1.405 -2.009 0.565 1.00 0.00 C ATOM 1064 O GLU A 69 -1.651 -1.270 -0.384 1.00 0.00 O ATOM 1065 CB GLU A 69 0.975 -2.329 1.314 1.00 0.00 C ATOM 1066 CG GLU A 69 2.098 -1.860 2.225 1.00 0.00 C ATOM 1067 CD GLU A 69 3.266 -2.821 2.258 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.052 -3.983 2.672 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.394 -2.414 1.900 1.00 0.00 O ATOM 0 H GLU A 69 -0.346 -2.757 3.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.197 -0.548 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.842 -3.404 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.259 -2.156 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.447 -0.883 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.710 -1.732 3.236 1.00 0.00 H new ATOM 1076 N PHE A 70 -2.039 -3.158 0.773 1.00 0.00 N ATOM 1077 CA PHE A 70 -3.078 -3.643 -0.132 1.00 0.00 C ATOM 1078 C PHE A 70 -4.205 -2.619 -0.256 1.00 0.00 C ATOM 1079 O PHE A 70 -4.705 -2.357 -1.354 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.627 -4.984 0.373 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.668 -5.602 -0.519 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.993 -5.225 -0.412 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -4.322 -6.565 -1.454 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.956 -5.794 -1.216 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -5.283 -7.140 -2.266 1.00 0.00 C ATOM 1086 CZ PHE A 70 -6.603 -6.754 -2.146 1.00 0.00 C ATOM 0 H PHE A 70 -1.851 -3.774 1.564 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.641 -3.789 -1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.799 -5.684 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.056 -4.838 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.277 -4.475 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.290 -6.870 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.988 -5.490 -1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.001 -7.889 -2.992 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.357 -7.201 -2.777 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.589 -2.032 0.873 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.634 -1.016 0.893 1.00 0.00 C ATOM 1098 C ILE A 71 -5.230 0.186 0.048 1.00 0.00 C ATOM 1099 O ILE A 71 -6.025 0.695 -0.744 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.939 -0.547 2.330 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.475 -1.709 3.166 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.931 0.607 2.317 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.711 -1.352 4.617 1.00 0.00 C ATOM 0 H ILE A 71 -4.191 -2.244 1.788 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.533 -1.470 0.476 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.012 -0.195 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.411 -2.059 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.770 -2.539 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.134 0.924 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.511 1.441 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.860 0.283 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.091 -2.224 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.773 -1.031 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.439 -0.543 4.679 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.989 0.625 0.218 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.456 1.737 -0.557 1.00 0.00 C ATOM 1117 C LEU A 72 -3.504 1.414 -2.048 1.00 0.00 C ATOM 1118 O LEU A 72 -3.920 2.245 -2.858 1.00 0.00 O ATOM 1119 CB LEU A 72 -2.018 2.044 -0.123 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.340 3.196 -0.870 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -2.095 4.499 -0.650 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.109 3.332 -0.426 1.00 0.00 C ATOM 0 H LEU A 72 -3.332 0.226 0.888 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.071 2.618 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.019 2.275 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.417 1.144 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.356 2.973 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.596 5.304 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.116 4.394 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.114 4.733 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.579 4.155 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.144 3.533 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.643 2.406 -0.639 1.00 0.00 H new ATOM 1134 N ALA A 73 -3.106 0.193 -2.393 1.00 0.00 N ATOM 1135 CA ALA A 73 -3.108 -0.263 -3.777 1.00 0.00 C ATOM 1136 C ALA A 73 -4.503 -0.186 -4.386 1.00 0.00 C ATOM 1137 O ALA A 73 -4.691 0.423 -5.436 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.572 -1.685 -3.867 1.00 0.00 C ATOM 0 H ALA A 73 -2.775 -0.503 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.456 0.399 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.580 -2.012 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.552 -1.714 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.201 -2.349 -3.274 1.00 0.00 H new ATOM 1144 N MET A 74 -5.488 -0.783 -3.722 1.00 0.00 N ATOM 1145 CA MET A 74 -6.848 -0.787 -4.254 1.00 0.00 C ATOM 1146 C MET A 74 -7.486 0.599 -4.182 1.00 0.00 C ATOM 1147 O MET A 74 -8.446 0.886 -4.900 1.00 0.00 O ATOM 1148 CB MET A 74 -7.728 -1.817 -3.550 1.00 0.00 C ATOM 1149 CG MET A 74 -7.378 -3.254 -3.901 1.00 0.00 C ATOM 1150 SD MET A 74 -8.750 -4.389 -3.622 1.00 0.00 S ATOM 1151 CE MET A 74 -9.932 -3.799 -4.834 1.00 0.00 C ATOM 0 H MET A 74 -5.375 -1.263 -2.829 1.00 0.00 H new ATOM 0 HA MET A 74 -6.772 -1.070 -5.304 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.640 -1.683 -2.472 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.770 -1.631 -3.810 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.076 -3.305 -4.947 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.522 -3.571 -3.306 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.816 -3.417 -4.324 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.481 -3.002 -5.424 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.219 -4.619 -5.492 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.955 1.460 -3.324 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.394 2.847 -3.287 1.00 0.00 C ATOM 1163 C HIS A 75 -6.898 3.568 -4.534 1.00 0.00 C ATOM 1164 O HIS A 75 -7.588 4.421 -5.087 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.896 3.552 -2.018 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.262 5.006 -1.958 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.564 5.459 -1.935 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.482 6.112 -1.939 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.570 6.778 -1.914 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.320 7.200 -1.914 1.00 0.00 N ATOM 0 H HIS A 75 -6.226 1.225 -2.650 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.484 2.870 -3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.308 3.046 -1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.812 3.456 -1.960 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -9.394 4.866 -1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.402 6.135 -1.943 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.449 7.406 -1.899 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.703 3.206 -4.980 1.00 0.00 N ATOM 1180 CA LEU A 76 -5.155 3.748 -6.215 1.00 0.00 C ATOM 1181 C LEU A 76 -5.899 3.163 -7.409 1.00 0.00 C ATOM 1182 O LEU A 76 -6.082 3.828 -8.428 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.657 3.450 -6.316 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.797 4.084 -5.218 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.335 3.696 -5.383 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.948 5.598 -5.225 1.00 0.00 C ATOM 0 H LEU A 76 -5.095 2.539 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.285 4.830 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.514 2.370 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.297 3.797 -7.285 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.145 3.706 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.744 4.158 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.237 2.612 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.975 4.039 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.329 6.029 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.632 5.991 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.992 5.860 -5.051 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.334 1.911 -7.266 1.00 0.00 N ATOM 1199 CA ILE A 77 -7.164 1.258 -8.276 1.00 0.00 C ATOM 1200 C ILE A 77 -8.461 2.036 -8.486 1.00 0.00 C ATOM 1201 O ILE A 77 -8.909 2.219 -9.617 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.509 -0.199 -7.881 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -6.239 -1.042 -7.725 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.445 -0.835 -8.903 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -5.429 -1.180 -8.996 1.00 0.00 C ATOM 0 H ILE A 77 -6.124 1.327 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.587 1.240 -9.201 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.020 -0.168 -6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.612 -0.595 -6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.516 -2.036 -7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.672 -1.858 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.369 -0.260 -8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.964 -0.843 -9.881 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.547 -1.790 -8.801 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.037 -1.656 -9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.118 -0.193 -9.338 1.00 0.00 H new ATOM 1217 N ASP A 78 -9.049 2.498 -7.386 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.297 3.260 -7.434 1.00 0.00 C ATOM 1219 C ASP A 78 -10.094 4.573 -8.184 1.00 0.00 C ATOM 1220 O ASP A 78 -10.965 5.016 -8.939 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.805 3.534 -6.013 1.00 0.00 C ATOM 1222 CG ASP A 78 -12.144 4.249 -5.993 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -13.130 3.689 -6.513 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -12.221 5.368 -5.446 1.00 0.00 O ATOM 0 H ASP A 78 -8.680 2.358 -6.445 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.043 2.670 -7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.895 2.590 -5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.069 4.136 -5.479 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.927 5.176 -7.986 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.563 6.407 -8.680 1.00 0.00 C ATOM 1231 C VAL A 79 -8.380 6.148 -10.175 1.00 0.00 C ATOM 1232 O VAL A 79 -8.928 6.864 -11.015 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.264 7.011 -8.101 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -6.848 8.255 -8.873 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.439 7.338 -6.627 1.00 0.00 C ATOM 0 H VAL A 79 -8.212 4.830 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.376 7.118 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.473 6.268 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.931 8.660 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.676 7.995 -9.917 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.638 9.003 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.514 7.762 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.248 8.059 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.681 6.428 -6.079 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.616 5.106 -10.494 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.366 4.732 -11.880 1.00 0.00 C ATOM 1247 C ALA A 80 -8.662 4.322 -12.576 1.00 0.00 C ATOM 1248 O ALA A 80 -8.849 4.591 -13.761 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.347 3.605 -11.947 1.00 0.00 C ATOM 0 H ALA A 80 -7.159 4.505 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.962 5.600 -12.401 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.170 3.336 -12.988 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.412 3.933 -11.493 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.728 2.738 -11.408 1.00 0.00 H new ATOM 1255 N MET A 81 -9.556 3.682 -11.825 1.00 0.00 N ATOM 1256 CA MET A 81 -10.867 3.295 -12.339 1.00 0.00 C ATOM 1257 C MET A 81 -11.679 4.517 -12.754 1.00 0.00 C ATOM 1258 O MET A 81 -12.552 4.429 -13.618 1.00 0.00 O ATOM 1259 CB MET A 81 -11.636 2.504 -11.282 1.00 0.00 C ATOM 1260 CG MET A 81 -11.730 1.021 -11.581 1.00 0.00 C ATOM 1261 SD MET A 81 -12.721 0.683 -13.048 1.00 0.00 S ATOM 1262 CE MET A 81 -12.820 -1.105 -12.988 1.00 0.00 C ATOM 0 H MET A 81 -9.394 3.419 -10.853 1.00 0.00 H new ATOM 0 HA MET A 81 -10.710 2.670 -13.218 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.152 2.641 -10.315 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.643 2.913 -11.196 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.728 0.616 -11.721 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.165 0.506 -10.724 1.00 0.00 H new ATOM 0 HE1 MET A 81 -13.312 -1.473 -13.889 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.815 -1.523 -12.927 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.393 -1.408 -12.112 1.00 0.00 H new ATOM 1272 N SER A 82 -11.388 5.654 -12.136 1.00 0.00 N ATOM 1273 CA SER A 82 -12.074 6.896 -12.456 1.00 0.00 C ATOM 1274 C SER A 82 -11.481 7.514 -13.722 1.00 0.00 C ATOM 1275 O SER A 82 -12.034 8.458 -14.287 1.00 0.00 O ATOM 1276 CB SER A 82 -11.971 7.871 -11.275 1.00 0.00 C ATOM 1277 OG SER A 82 -12.806 9.002 -11.458 1.00 0.00 O ATOM 0 H SER A 82 -10.679 5.740 -11.408 1.00 0.00 H new ATOM 0 HA SER A 82 -13.128 6.685 -12.639 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.248 7.358 -10.354 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.937 8.196 -11.160 1.00 0.00 H new ATOM 0 HG SER A 82 -12.981 9.128 -12.414 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.360 6.962 -14.170 1.00 0.00 N ATOM 1284 CA GLY A 83 -9.708 7.463 -15.360 1.00 0.00 C ATOM 1285 C GLY A 83 -8.689 8.534 -15.034 1.00 0.00 C ATOM 1286 O GLY A 83 -8.120 9.158 -15.931 1.00 0.00 O ATOM 0 H GLY A 83 -9.891 6.173 -13.726 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.217 6.640 -15.879 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.456 7.868 -16.041 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.458 8.752 -13.750 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.513 9.762 -13.316 1.00 0.00 C ATOM 1292 C GLN A 84 -6.091 9.213 -13.348 1.00 0.00 C ATOM 1293 O GLN A 84 -5.868 8.036 -13.061 1.00 0.00 O ATOM 1294 CB GLN A 84 -7.863 10.241 -11.909 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.188 10.982 -11.832 1.00 0.00 C ATOM 1296 CD GLN A 84 -9.225 12.194 -12.746 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -9.634 12.105 -13.905 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -8.792 13.335 -12.234 1.00 0.00 N ATOM 0 H GLN A 84 -8.912 8.243 -12.992 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.572 10.608 -14.000 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.897 9.382 -11.239 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.069 10.895 -11.548 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.997 10.303 -12.100 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.365 11.299 -10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.461 13.368 -11.270 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.789 14.181 -12.804 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.114 10.056 -13.712 1.00 0.00 N ATOM 1308 CA PRO A 85 -3.712 9.656 -13.791 1.00 0.00 C ATOM 1309 C PRO A 85 -3.088 9.476 -12.415 1.00 0.00 C ATOM 1310 O PRO A 85 -3.531 10.076 -11.429 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.031 10.818 -14.533 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.139 11.697 -15.014 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.293 11.461 -14.087 1.00 0.00 C ATOM 0 HA PRO A 85 -3.599 8.695 -14.293 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.358 11.364 -13.872 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.432 10.452 -15.367 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.838 12.745 -15.002 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.410 11.455 -16.042 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.259 12.120 -13.220 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.251 11.631 -14.579 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.068 8.639 -12.352 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.340 8.408 -11.117 1.00 0.00 C ATOM 1323 C LEU A 86 -0.264 9.471 -10.940 1.00 0.00 C ATOM 1324 O LEU A 86 0.338 9.921 -11.920 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.699 7.019 -11.145 1.00 0.00 C ATOM 1326 CG LEU A 86 -1.665 5.859 -11.396 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -0.893 4.570 -11.616 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.637 5.709 -10.234 1.00 0.00 C ATOM 0 H LEU A 86 -1.723 8.104 -13.149 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.035 8.464 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.068 7.006 -11.920 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.194 6.851 -10.194 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.241 6.077 -12.295 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.592 3.753 -11.793 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.238 4.681 -12.480 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.294 4.349 -10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.315 4.879 -10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.081 5.513 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.212 6.628 -10.120 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.018 9.896 -9.694 1.00 0.00 N ATOM 1341 CA PRO A 87 1.027 10.872 -9.389 1.00 0.00 C ATOM 1342 C PRO A 87 2.421 10.260 -9.501 1.00 0.00 C ATOM 1343 O PRO A 87 2.589 9.053 -9.329 1.00 0.00 O ATOM 1344 CB PRO A 87 0.737 11.278 -7.931 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.585 10.668 -7.588 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.740 9.478 -8.487 1.00 0.00 C ATOM 0 HA PRO A 87 1.016 11.713 -10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.519 10.917 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.705 12.363 -7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.617 10.371 -6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.395 11.381 -7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.309 8.578 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.788 9.261 -8.696 1.00 0.00 H new ATOM 1354 N PRO A 88 3.440 11.083 -9.790 1.00 0.00 N ATOM 1355 CA PRO A 88 4.827 10.622 -9.877 1.00 0.00 C ATOM 1356 C PRO A 88 5.383 10.284 -8.505 1.00 0.00 C ATOM 1357 O PRO A 88 6.121 9.311 -8.333 1.00 0.00 O ATOM 1358 CB PRO A 88 5.582 11.819 -10.475 1.00 0.00 C ATOM 1359 CG PRO A 88 4.529 12.774 -10.933 1.00 0.00 C ATOM 1360 CD PRO A 88 3.324 12.516 -10.079 1.00 0.00 C ATOM 0 HA PRO A 88 4.920 9.715 -10.474 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.233 12.281 -9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.215 11.507 -11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.867 13.805 -10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.298 12.621 -11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.336 13.116 -9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.398 12.750 -10.603 1.00 0.00 H new ATOM 1368 N VAL A 89 5.021 11.103 -7.534 1.00 0.00 N ATOM 1369 CA VAL A 89 5.430 10.893 -6.155 1.00 0.00 C ATOM 1370 C VAL A 89 4.214 10.821 -5.242 1.00 0.00 C ATOM 1371 O VAL A 89 3.261 11.591 -5.394 1.00 0.00 O ATOM 1372 CB VAL A 89 6.384 12.003 -5.660 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.714 11.931 -6.393 1.00 0.00 C ATOM 1374 CG2 VAL A 89 5.760 13.384 -5.835 1.00 0.00 C ATOM 0 H VAL A 89 4.439 11.928 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 89 5.968 9.945 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 89 6.560 11.841 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.372 12.721 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.177 10.961 -6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.547 12.060 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.454 14.145 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.545 13.555 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.834 13.440 -5.262 1.00 0.00 H new ATOM 1384 N LEU A 90 4.241 9.889 -4.303 1.00 0.00 N ATOM 1385 CA LEU A 90 3.136 9.721 -3.375 1.00 0.00 C ATOM 1386 C LEU A 90 3.311 10.669 -2.188 1.00 0.00 C ATOM 1387 O LEU A 90 4.432 10.891 -1.726 1.00 0.00 O ATOM 1388 CB LEU A 90 3.092 8.267 -2.893 1.00 0.00 C ATOM 1389 CG LEU A 90 1.823 7.853 -2.142 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.643 7.749 -3.101 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.040 6.534 -1.412 1.00 0.00 C ATOM 0 H LEU A 90 5.015 9.239 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 90 2.197 9.957 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.210 7.614 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.950 8.093 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 90 1.596 8.620 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.249 7.454 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.473 8.716 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.860 7.003 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.128 6.256 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.293 5.757 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.854 6.644 -0.696 1.00 0.00 H new ATOM 1403 N PRO A 91 2.211 11.246 -1.683 1.00 0.00 N ATOM 1404 CA PRO A 91 2.248 12.114 -0.508 1.00 0.00 C ATOM 1405 C PRO A 91 2.361 11.312 0.785 1.00 0.00 C ATOM 1406 O PRO A 91 1.925 10.160 0.847 1.00 0.00 O ATOM 1407 CB PRO A 91 0.902 12.859 -0.555 1.00 0.00 C ATOM 1408 CG PRO A 91 0.240 12.443 -1.829 1.00 0.00 C ATOM 1409 CD PRO A 91 0.857 11.135 -2.225 1.00 0.00 C ATOM 0 HA PRO A 91 3.112 12.779 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.285 12.603 0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.053 13.938 -0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.836 12.338 -1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.389 13.193 -2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.318 10.288 -1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.863 11.000 -3.307 1.00 0.00 H new ATOM 1417 N PRO A 92 2.931 11.915 1.842 1.00 0.00 N ATOM 1418 CA PRO A 92 3.075 11.259 3.148 1.00 0.00 C ATOM 1419 C PRO A 92 1.725 10.873 3.745 1.00 0.00 C ATOM 1420 O PRO A 92 1.627 9.934 4.533 1.00 0.00 O ATOM 1421 CB PRO A 92 3.771 12.315 4.017 1.00 0.00 C ATOM 1422 CG PRO A 92 3.543 13.609 3.312 1.00 0.00 C ATOM 1423 CD PRO A 92 3.494 13.277 1.851 1.00 0.00 C ATOM 0 HA PRO A 92 3.635 10.326 3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.353 12.335 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.835 12.103 4.118 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.612 14.073 3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.344 14.317 3.525 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.867 13.977 1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.484 13.308 1.396 1.00 0.00 H new ATOM 1431 N GLU A 93 0.688 11.599 3.339 1.00 0.00 N ATOM 1432 CA GLU A 93 -0.672 11.346 3.798 1.00 0.00 C ATOM 1433 C GLU A 93 -1.113 9.924 3.461 1.00 0.00 C ATOM 1434 O GLU A 93 -1.846 9.299 4.219 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.649 12.338 3.159 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.562 13.758 3.701 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.212 14.400 3.468 1.00 0.00 C ATOM 1438 OE1 GLU A 93 0.221 14.475 2.299 1.00 0.00 O ATOM 1439 OE2 GLU A 93 0.422 14.825 4.453 1.00 0.00 O ATOM 0 H GLU A 93 0.767 12.377 2.684 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.679 11.471 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.469 12.363 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.665 11.970 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.334 14.368 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.772 13.746 4.770 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.656 9.417 2.324 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.089 8.108 1.844 1.00 0.00 C ATOM 1448 C TYR A 94 -0.207 6.985 2.381 1.00 0.00 C ATOM 1449 O TYR A 94 -0.437 5.811 2.082 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.098 8.080 0.314 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.277 8.796 -0.303 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -2.297 10.180 -0.432 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.373 8.078 -0.758 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -3.380 10.825 -0.999 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.455 8.716 -1.325 1.00 0.00 C ATOM 1456 CZ TYR A 94 -4.456 10.086 -1.443 1.00 0.00 C ATOM 1457 OH TYR A 94 -5.537 10.716 -2.012 1.00 0.00 O ATOM 0 H TYR A 94 0.013 9.890 1.717 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.100 7.942 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.177 8.533 -0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.099 7.043 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.454 10.759 -0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.379 7.002 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.383 11.901 -1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.300 8.142 -1.676 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.206 10.048 -2.271 1.00 0.00 H new ATOM 1467 N ILE A 95 0.791 7.339 3.176 1.00 0.00 N ATOM 1468 CA ILE A 95 1.677 6.345 3.758 1.00 0.00 C ATOM 1469 C ILE A 95 1.067 5.809 5.050 1.00 0.00 C ATOM 1470 O ILE A 95 0.771 6.578 5.966 1.00 0.00 O ATOM 1471 CB ILE A 95 3.081 6.926 4.038 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.668 7.520 2.755 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.002 5.847 4.596 1.00 0.00 C ATOM 1474 CD1 ILE A 95 5.021 8.171 2.944 1.00 0.00 C ATOM 0 H ILE A 95 1.006 8.303 3.432 1.00 0.00 H new ATOM 0 HA ILE A 95 1.792 5.533 3.040 1.00 0.00 H new ATOM 0 HB ILE A 95 2.991 7.718 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.757 6.731 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.973 8.259 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.987 6.273 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.587 5.460 5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.092 5.036 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.370 8.568 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.936 8.983 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.732 7.432 3.312 1.00 0.00 H new ATOM 1486 N PRO A 96 0.856 4.484 5.124 1.00 0.00 N ATOM 1487 CA PRO A 96 0.187 3.842 6.263 1.00 0.00 C ATOM 1488 C PRO A 96 0.836 4.175 7.607 1.00 0.00 C ATOM 1489 O PRO A 96 2.044 4.415 7.690 1.00 0.00 O ATOM 1490 CB PRO A 96 0.334 2.348 5.960 1.00 0.00 C ATOM 1491 CG PRO A 96 0.497 2.271 4.484 1.00 0.00 C ATOM 1492 CD PRO A 96 1.243 3.511 4.089 1.00 0.00 C ATOM 0 HA PRO A 96 -0.844 4.181 6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.196 1.923 6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.542 1.790 6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.048 1.375 4.198 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.471 2.222 3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.320 3.345 4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.960 3.850 3.092 1.00 0.00 H new ATOM 1500 N PRO A 97 0.039 4.146 8.688 1.00 0.00 N ATOM 1501 CA PRO A 97 0.491 4.534 10.029 1.00 0.00 C ATOM 1502 C PRO A 97 1.628 3.661 10.547 1.00 0.00 C ATOM 1503 O PRO A 97 2.568 4.156 11.165 1.00 0.00 O ATOM 1504 CB PRO A 97 -0.758 4.355 10.903 1.00 0.00 C ATOM 1505 CG PRO A 97 -1.903 4.353 9.949 1.00 0.00 C ATOM 1506 CD PRO A 97 -1.379 3.748 8.681 1.00 0.00 C ATOM 0 HA PRO A 97 0.891 5.548 10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.714 3.424 11.468 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.851 5.163 11.628 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.738 3.774 10.342 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.270 5.365 9.777 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.494 2.664 8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.902 4.131 7.805 1.00 0.00 H new ATOM 1514 N SER A 98 1.556 2.370 10.261 1.00 0.00 N ATOM 1515 CA SER A 98 2.535 1.420 10.772 1.00 0.00 C ATOM 1516 C SER A 98 3.762 1.354 9.858 1.00 0.00 C ATOM 1517 O SER A 98 4.625 0.492 10.029 1.00 0.00 O ATOM 1518 CB SER A 98 1.894 0.031 10.914 1.00 0.00 C ATOM 1519 OG SER A 98 2.716 -0.852 11.663 1.00 0.00 O ATOM 0 H SER A 98 0.830 1.955 9.677 1.00 0.00 H new ATOM 0 HA SER A 98 2.866 1.759 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.923 0.126 11.401 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.714 -0.390 9.925 1.00 0.00 H new ATOM 0 HG SER A 98 3.640 -0.791 11.342 1.00 0.00 H new ATOM 1525 N PHE A 99 3.838 2.265 8.891 1.00 0.00 N ATOM 1526 CA PHE A 99 4.970 2.302 7.975 1.00 0.00 C ATOM 1527 C PHE A 99 5.670 3.658 7.998 1.00 0.00 C ATOM 1528 O PHE A 99 6.879 3.737 7.798 1.00 0.00 O ATOM 1529 CB PHE A 99 4.519 1.965 6.551 1.00 0.00 C ATOM 1530 CG PHE A 99 4.264 0.501 6.329 1.00 0.00 C ATOM 1531 CD1 PHE A 99 3.019 -0.049 6.583 1.00 0.00 C ATOM 1532 CD2 PHE A 99 5.275 -0.325 5.866 1.00 0.00 C ATOM 1533 CE1 PHE A 99 2.788 -1.396 6.380 1.00 0.00 C ATOM 1534 CE2 PHE A 99 5.049 -1.672 5.661 1.00 0.00 C ATOM 1535 CZ PHE A 99 3.805 -2.209 5.920 1.00 0.00 C ATOM 0 H PHE A 99 3.133 2.983 8.724 1.00 0.00 H new ATOM 0 HA PHE A 99 5.686 1.551 8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.609 2.521 6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.281 2.303 5.848 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.220 0.582 6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.252 0.089 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.812 -1.813 6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.846 -2.304 5.298 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.627 -3.263 5.763 1.00 0.00 H new ATOM 1545 N ARG A 100 4.919 4.725 8.252 1.00 0.00 N ATOM 1546 CA ARG A 100 5.498 6.065 8.247 1.00 0.00 C ATOM 1547 C ARG A 100 6.211 6.378 9.566 1.00 0.00 C ATOM 1548 O ARG A 100 6.814 7.438 9.722 1.00 0.00 O ATOM 1549 CB ARG A 100 4.439 7.120 7.922 1.00 0.00 C ATOM 1550 CG ARG A 100 3.316 7.210 8.934 1.00 0.00 C ATOM 1551 CD ARG A 100 2.259 8.220 8.506 1.00 0.00 C ATOM 1552 NE ARG A 100 2.832 9.544 8.272 1.00 0.00 N ATOM 1553 CZ ARG A 100 2.150 10.588 7.803 1.00 0.00 C ATOM 1554 NH1 ARG A 100 0.869 10.472 7.478 1.00 0.00 N ATOM 1555 NH2 ARG A 100 2.761 11.751 7.643 1.00 0.00 N ATOM 0 H ARG A 100 3.921 4.691 8.461 1.00 0.00 H new ATOM 0 HA ARG A 100 6.251 6.094 7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.924 8.093 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.013 6.900 6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.856 6.230 9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.721 7.495 9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.770 7.870 7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.490 8.288 9.275 1.00 0.00 H new ATOM 0 HE ARG A 100 3.821 9.678 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.395 9.576 7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.359 11.279 7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.749 11.845 7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.244 12.554 7.284 1.00 0.00 H new ATOM 1569 N ARG A 101 6.150 5.446 10.512 1.00 0.00 N ATOM 1570 CA ARG A 101 6.939 5.558 11.734 1.00 0.00 C ATOM 1571 C ARG A 101 7.601 4.225 12.032 1.00 0.00 C ATOM 1572 O ARG A 101 6.928 3.248 12.363 1.00 0.00 O ATOM 1573 CB ARG A 101 6.087 5.982 12.934 1.00 0.00 C ATOM 1574 CG ARG A 101 6.927 6.514 14.092 1.00 0.00 C ATOM 1575 CD ARG A 101 6.184 6.466 15.419 1.00 0.00 C ATOM 1576 NE ARG A 101 6.207 5.131 16.022 1.00 0.00 N ATOM 1577 CZ ARG A 101 6.835 4.844 17.168 1.00 0.00 C ATOM 1578 NH1 ARG A 101 7.501 5.788 17.827 1.00 0.00 N ATOM 1579 NH2 ARG A 101 6.801 3.611 17.659 1.00 0.00 N ATOM 0 H ARG A 101 5.567 4.611 10.457 1.00 0.00 H new ATOM 0 HA ARG A 101 7.691 6.330 11.572 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.380 6.750 12.620 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.500 5.130 13.277 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.844 5.929 14.171 1.00 0.00 H new ATOM 0 HG3 ARG A 101 7.222 7.542 13.881 1.00 0.00 H new ATOM 0 HD2 ARG A 101 6.631 7.182 16.109 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.150 6.775 15.265 1.00 0.00 H new ATOM 0 HE ARG A 101 5.716 4.377 15.541 1.00 0.00 H new ATOM 0 HH11 ARG A 101 7.536 6.739 17.459 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.977 5.561 18.700 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.295 2.878 17.162 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.281 3.397 18.533 1.00 0.00 H new ATOM 1593 N VAL A 102 8.915 4.179 11.904 1.00 0.00 N ATOM 1594 CA VAL A 102 9.649 2.954 12.159 1.00 0.00 C ATOM 1595 C VAL A 102 10.921 3.234 12.956 1.00 0.00 C ATOM 1596 O VAL A 102 11.686 4.145 12.633 1.00 0.00 O ATOM 1597 CB VAL A 102 9.990 2.215 10.840 1.00 0.00 C ATOM 1598 CG1 VAL A 102 10.801 3.095 9.906 1.00 0.00 C ATOM 1599 CG2 VAL A 102 10.739 0.924 11.119 1.00 0.00 C ATOM 0 H VAL A 102 9.493 4.972 11.626 1.00 0.00 H new ATOM 0 HA VAL A 102 9.005 2.306 12.753 1.00 0.00 H new ATOM 0 HB VAL A 102 9.047 1.974 10.350 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.023 2.546 8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 102 10.230 3.991 9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.733 3.381 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.966 0.425 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.667 1.148 11.644 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.122 0.271 11.736 1.00 0.00 H new ATOM 1609 N ARG A 103 11.121 2.463 14.017 1.00 0.00 N ATOM 1610 CA ARG A 103 12.312 2.584 14.842 1.00 0.00 C ATOM 1611 C ARG A 103 13.257 1.424 14.548 1.00 0.00 C ATOM 1612 O ARG A 103 12.961 0.271 14.869 1.00 0.00 O ATOM 1613 CB ARG A 103 11.932 2.613 16.328 1.00 0.00 C ATOM 1614 CG ARG A 103 13.105 2.882 17.258 1.00 0.00 C ATOM 1615 CD ARG A 103 12.662 2.942 18.711 1.00 0.00 C ATOM 1616 NE ARG A 103 13.773 3.237 19.612 1.00 0.00 N ATOM 1617 CZ ARG A 103 13.650 3.380 20.932 1.00 0.00 C ATOM 1618 NH1 ARG A 103 12.469 3.224 21.524 1.00 0.00 N ATOM 1619 NH2 ARG A 103 14.715 3.667 21.663 1.00 0.00 N ATOM 0 H ARG A 103 10.468 1.743 14.326 1.00 0.00 H new ATOM 0 HA ARG A 103 12.819 3.520 14.606 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.174 3.380 16.484 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.480 1.658 16.596 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.854 2.099 17.137 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.581 3.823 16.982 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.892 3.705 18.824 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.211 1.990 18.992 1.00 0.00 H new ATOM 0 HE ARG A 103 14.703 3.340 19.205 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.646 2.993 20.967 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.386 3.336 22.534 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.625 3.778 21.216 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.626 3.777 22.673 1.00 0.00 H new ATOM 1633 N LEU A 104 14.386 1.726 13.925 1.00 0.00 N ATOM 1634 CA LEU A 104 15.334 0.694 13.522 1.00 0.00 C ATOM 1635 C LEU A 104 16.463 0.596 14.537 1.00 0.00 C ATOM 1636 O LEU A 104 17.531 0.054 14.258 1.00 0.00 O ATOM 1637 CB LEU A 104 15.893 0.996 12.125 1.00 0.00 C ATOM 1638 CG LEU A 104 15.728 -0.128 11.093 1.00 0.00 C ATOM 1639 CD1 LEU A 104 16.446 -1.390 11.550 1.00 0.00 C ATOM 1640 CD2 LEU A 104 14.253 -0.416 10.844 1.00 0.00 C ATOM 0 H LEU A 104 14.670 2.676 13.687 1.00 0.00 H new ATOM 0 HA LEU A 104 14.814 -0.263 13.484 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.404 1.892 11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.954 1.227 12.219 1.00 0.00 H new ATOM 0 HG LEU A 104 16.178 0.203 10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 104 16.316 -2.173 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 104 17.508 -1.180 11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 104 16.029 -1.722 12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.157 -1.216 10.110 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.779 -0.722 11.777 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.765 0.483 10.467 1.00 0.00 H new ATOM 1652 N GLU A 105 16.204 1.109 15.727 1.00 0.00 N ATOM 1653 CA GLU A 105 17.188 1.116 16.792 1.00 0.00 C ATOM 1654 C GLU A 105 17.101 -0.172 17.608 1.00 0.00 C ATOM 1655 O GLU A 105 16.197 -0.343 18.425 1.00 0.00 O ATOM 1656 CB GLU A 105 16.973 2.339 17.688 1.00 0.00 C ATOM 1657 CG GLU A 105 18.012 2.499 18.781 1.00 0.00 C ATOM 1658 CD GLU A 105 17.878 3.822 19.505 1.00 0.00 C ATOM 1659 OE1 GLU A 105 17.014 3.935 20.399 1.00 0.00 O ATOM 1660 OE2 GLU A 105 18.634 4.761 19.176 1.00 0.00 O ATOM 0 H GLU A 105 15.310 1.530 15.980 1.00 0.00 H new ATOM 0 HA GLU A 105 18.185 1.172 16.354 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.974 3.235 17.067 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.987 2.270 18.147 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.913 1.683 19.497 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.009 2.423 18.347 1.00 0.00 H new ATOM 1667 N HIS A 106 18.027 -1.085 17.352 1.00 0.00 N ATOM 1668 CA HIS A 106 18.111 -2.332 18.101 1.00 0.00 C ATOM 1669 C HIS A 106 19.538 -2.529 18.582 1.00 0.00 C ATOM 1670 O HIS A 106 20.352 -3.152 17.898 1.00 0.00 O ATOM 1671 CB HIS A 106 17.693 -3.536 17.243 1.00 0.00 C ATOM 1672 CG HIS A 106 16.287 -3.475 16.737 1.00 0.00 C ATOM 1673 ND1 HIS A 106 15.978 -3.394 15.399 1.00 0.00 N ATOM 1674 CD2 HIS A 106 15.105 -3.519 17.393 1.00 0.00 C ATOM 1675 CE1 HIS A 106 14.668 -3.383 15.252 1.00 0.00 C ATOM 1676 NE2 HIS A 106 14.111 -3.460 16.447 1.00 0.00 N ATOM 0 H HIS A 106 18.736 -0.985 16.626 1.00 0.00 H new ATOM 0 HA HIS A 106 17.428 -2.268 18.948 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.370 -3.613 16.392 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.816 -4.446 17.831 1.00 0.00 H new ATOM 0 HD2 HIS A 106 14.968 -3.588 18.462 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.139 -3.321 14.312 1.00 0.00 H new ATOM 0 HE2 HIS A 106 13.109 -3.473 16.636 1.00 0.00 H new ATOM 1685 N HIS A 107 19.856 -1.964 19.734 1.00 0.00 N ATOM 1686 CA HIS A 107 21.211 -2.040 20.254 1.00 0.00 C ATOM 1687 C HIS A 107 21.206 -2.131 21.774 1.00 0.00 C ATOM 1688 O HIS A 107 20.951 -1.148 22.466 1.00 0.00 O ATOM 1689 CB HIS A 107 22.022 -0.821 19.796 1.00 0.00 C ATOM 1690 CG HIS A 107 23.476 -0.907 20.131 1.00 0.00 C ATOM 1691 ND1 HIS A 107 24.086 -0.082 21.047 1.00 0.00 N ATOM 1692 CD2 HIS A 107 24.445 -1.724 19.658 1.00 0.00 C ATOM 1693 CE1 HIS A 107 25.368 -0.388 21.124 1.00 0.00 C ATOM 1694 NE2 HIS A 107 25.612 -1.380 20.290 1.00 0.00 N ATOM 0 H HIS A 107 19.200 -1.451 20.324 1.00 0.00 H new ATOM 0 HA HIS A 107 21.678 -2.943 19.862 1.00 0.00 H new ATOM 0 HB2 HIS A 107 21.913 -0.707 18.717 1.00 0.00 H new ATOM 0 HB3 HIS A 107 21.605 0.075 20.255 1.00 0.00 H new ATOM 0 HD2 HIS A 107 24.322 -2.503 18.920 1.00 0.00 H new ATOM 0 HE1 HIS A 107 26.094 0.093 21.762 1.00 0.00 H new ATOM 0 HE2 HIS A 107 26.520 -1.819 20.140 1.00 0.00 H new ATOM 1703 N HIS A 108 21.458 -3.327 22.281 1.00 0.00 N ATOM 1704 CA HIS A 108 21.602 -3.551 23.714 1.00 0.00 C ATOM 1705 C HIS A 108 22.888 -4.315 23.983 1.00 0.00 C ATOM 1706 O HIS A 108 22.959 -5.525 23.760 1.00 0.00 O ATOM 1707 CB HIS A 108 20.408 -4.329 24.283 1.00 0.00 C ATOM 1708 CG HIS A 108 19.145 -3.531 24.361 1.00 0.00 C ATOM 1709 ND1 HIS A 108 18.696 -2.951 25.528 1.00 0.00 N ATOM 1710 CD2 HIS A 108 18.228 -3.226 23.415 1.00 0.00 C ATOM 1711 CE1 HIS A 108 17.559 -2.325 25.296 1.00 0.00 C ATOM 1712 NE2 HIS A 108 17.255 -2.474 24.021 1.00 0.00 N ATOM 0 H HIS A 108 21.569 -4.168 21.715 1.00 0.00 H new ATOM 0 HA HIS A 108 21.637 -2.580 24.208 1.00 0.00 H new ATOM 0 HB2 HIS A 108 20.232 -5.209 23.664 1.00 0.00 H new ATOM 0 HB3 HIS A 108 20.662 -4.687 25.281 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.257 -3.520 22.376 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.976 -1.783 26.026 1.00 0.00 H new ATOM 0 HE2 HIS A 108 16.429 -2.091 23.560 1.00 0.00 H new ATOM 1721 N HIS A 109 23.911 -3.603 24.428 1.00 0.00 N ATOM 1722 CA HIS A 109 25.202 -4.213 24.687 1.00 0.00 C ATOM 1723 C HIS A 109 25.401 -4.395 26.188 1.00 0.00 C ATOM 1724 O HIS A 109 25.160 -3.476 26.971 1.00 0.00 O ATOM 1725 CB HIS A 109 26.318 -3.345 24.104 1.00 0.00 C ATOM 1726 CG HIS A 109 27.572 -4.103 23.796 1.00 0.00 C ATOM 1727 ND1 HIS A 109 28.672 -4.115 24.621 1.00 0.00 N ATOM 1728 CD2 HIS A 109 27.897 -4.873 22.731 1.00 0.00 C ATOM 1729 CE1 HIS A 109 29.622 -4.853 24.075 1.00 0.00 C ATOM 1730 NE2 HIS A 109 29.176 -5.326 22.929 1.00 0.00 N ATOM 0 H HIS A 109 23.871 -2.601 24.617 1.00 0.00 H new ATOM 0 HA HIS A 109 25.235 -5.192 24.209 1.00 0.00 H new ATOM 0 HB2 HIS A 109 25.958 -2.870 23.191 1.00 0.00 H new ATOM 0 HB3 HIS A 109 26.551 -2.546 24.808 1.00 0.00 H new ATOM 0 HD2 HIS A 109 27.266 -5.090 21.882 1.00 0.00 H new ATOM 0 HE1 HIS A 109 30.599 -5.037 24.497 1.00 0.00 H new ATOM 0 HE2 HIS A 109 29.697 -5.930 22.293 1.00 0.00 H new ATOM 1739 N HIS A 110 25.831 -5.578 26.589 1.00 0.00 N ATOM 1740 CA HIS A 110 26.009 -5.887 27.999 1.00 0.00 C ATOM 1741 C HIS A 110 27.390 -5.459 28.489 1.00 0.00 C ATOM 1742 O HIS A 110 28.411 -5.832 27.911 1.00 0.00 O ATOM 1743 CB HIS A 110 25.801 -7.388 28.247 1.00 0.00 C ATOM 1744 CG HIS A 110 26.181 -7.837 29.632 1.00 0.00 C ATOM 1745 ND1 HIS A 110 27.120 -8.813 29.870 1.00 0.00 N ATOM 1746 CD2 HIS A 110 25.763 -7.417 30.850 1.00 0.00 C ATOM 1747 CE1 HIS A 110 27.265 -8.974 31.172 1.00 0.00 C ATOM 1748 NE2 HIS A 110 26.453 -8.137 31.793 1.00 0.00 N ATOM 0 H HIS A 110 26.064 -6.344 25.957 1.00 0.00 H new ATOM 0 HA HIS A 110 25.262 -5.327 28.562 1.00 0.00 H new ATOM 0 HB2 HIS A 110 24.754 -7.633 28.071 1.00 0.00 H new ATOM 0 HB3 HIS A 110 26.387 -7.951 27.520 1.00 0.00 H new ATOM 0 HD2 HIS A 110 25.022 -6.655 31.044 1.00 0.00 H new ATOM 0 HE1 HIS A 110 27.935 -9.673 31.650 1.00 0.00 H new ATOM 0 HE2 HIS A 110 26.355 -8.042 32.804 1.00 0.00 H new ATOM 1757 N HIS A 111 27.399 -4.666 29.548 1.00 0.00 N ATOM 1758 CA HIS A 111 28.630 -4.286 30.213 1.00 0.00 C ATOM 1759 C HIS A 111 28.550 -4.682 31.682 1.00 0.00 C ATOM 1760 O HIS A 111 28.990 -5.797 32.020 1.00 0.00 O ATOM 1761 CB HIS A 111 28.876 -2.780 30.076 1.00 0.00 C ATOM 1762 CG HIS A 111 30.153 -2.315 30.710 1.00 0.00 C ATOM 1763 ND1 HIS A 111 31.374 -2.385 30.079 1.00 0.00 N ATOM 1764 CD2 HIS A 111 30.394 -1.778 31.930 1.00 0.00 C ATOM 1765 CE1 HIS A 111 32.310 -1.917 30.883 1.00 0.00 C ATOM 1766 NE2 HIS A 111 31.743 -1.543 32.014 1.00 0.00 N ATOM 1767 OXT HIS A 111 28.025 -3.883 32.485 1.00 0.00 O ATOM 0 H HIS A 111 26.557 -4.271 29.967 1.00 0.00 H new ATOM 0 HA HIS A 111 29.465 -4.806 29.744 1.00 0.00 H new ATOM 0 HB2 HIS A 111 28.890 -2.518 29.018 1.00 0.00 H new ATOM 0 HB3 HIS A 111 28.041 -2.243 30.526 1.00 0.00 H new ATOM 0 HD2 HIS A 111 29.660 -1.573 32.695 1.00 0.00 H new ATOM 0 HE1 HIS A 111 33.363 -1.851 30.654 1.00 0.00 H new ATOM 0 HE2 HIS A 111 32.228 -1.145 32.818 1.00 0.00 H new TER 1776 HIS A 111