USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=18 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 110 HIS : no HD1:sc= -0.0439 X(o=-0.32,f=-0.28) USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.28 X(o=-0.32,f=-0.28) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -0.781 X(o=-5.7,f=-5.5) USER MOD Set 2.2: A 61 GLN : amide:sc= -4.88! C(o=-5.7!,f=-5.4!) USER MOD Single : A 10 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0474 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= -1.02 K(o=-1,f=-4.5!) USER MOD Single : A 21 ASN : amide:sc= 0.461 K(o=0.46,f=-0.064) USER MOD Single : A 22 SER OG : rot 71:sc= 1.26 USER MOD Single : A 23 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 74:sc= 0.496 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -49:sc= 1.06 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 35 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.5) USER MOD Single : A 38 THR OG1 : rot 64:sc= 1.22 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.83) USER MOD Single : A 43 SER OG : rot -30:sc= -0.119 USER MOD Single : A 44 SER OG : rot -42:sc= 0.666 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.261 K(o=-0.26,f=-4.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1 K(o=-1,f=-0.018) USER MOD Single : A 57 SER OG : rot -8:sc= -0.179 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00303 (180deg=-0.11) USER MOD Single : A 66 THR OG1 : rot -78:sc= 0.837 USER MOD Single : A 74 MET CE :methyl -116:sc= -0.229 (180deg=-0.955) USER MOD Single : A 75 HIS : no HD1:sc=-0.00509 X(o=-0.0051,f=-0.32) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 71:sc= 0.18 USER MOD Single : A 84 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.094) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.37) USER MOD Single : A 107 HIS : no HD1:sc= 1.25 K(o=1.3,f=-4.6!) USER MOD Single : A 108 HIS : no HD1:sc= -1.83! K(o=-1.8!,f=-0.79) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.881 15.722 9.478 1.00 0.00 N ATOM 2 CA PRO A 1 1.128 14.468 9.709 1.00 0.00 C ATOM 3 C PRO A 1 0.118 14.635 10.840 1.00 0.00 C ATOM 4 O PRO A 1 0.471 14.554 12.020 1.00 0.00 O ATOM 5 CB PRO A 1 2.106 13.360 10.040 1.00 0.00 C ATOM 6 CG PRO A 1 3.337 14.096 10.419 1.00 0.00 C ATOM 7 CD PRO A 1 3.314 15.393 9.642 1.00 0.00 C ATOM 0 H2 PRO A 1 1.597 16.443 10.141 1.00 0.00 H new ATOM 0 H3 PRO A 1 1.698 16.088 8.544 1.00 0.00 H new ATOM 0 HA PRO A 1 0.574 14.215 8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 1 1.744 12.734 10.856 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.276 12.704 9.186 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.361 14.286 11.492 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.227 13.515 10.178 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.840 16.183 10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.806 15.282 8.676 1.00 0.00 H new ATOM 17 N PRO A 2 -1.150 14.882 10.493 1.00 0.00 N ATOM 18 CA PRO A 2 -2.207 15.101 11.476 1.00 0.00 C ATOM 19 C PRO A 2 -2.778 13.798 12.033 1.00 0.00 C ATOM 20 O PRO A 2 -3.549 13.117 11.355 1.00 0.00 O ATOM 21 CB PRO A 2 -3.264 15.858 10.671 1.00 0.00 C ATOM 22 CG PRO A 2 -3.104 15.364 9.270 1.00 0.00 C ATOM 23 CD PRO A 2 -1.655 14.976 9.109 1.00 0.00 C ATOM 0 HA PRO A 2 -1.848 15.636 12.355 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.267 15.658 11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.110 16.935 10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.756 14.511 9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.379 16.138 8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.553 14.027 8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.105 15.721 8.534 1.00 0.00 H new ATOM 31 N VAL A 3 -2.350 13.448 13.254 1.00 0.00 N ATOM 32 CA VAL A 3 -2.843 12.275 13.984 1.00 0.00 C ATOM 33 C VAL A 3 -2.694 10.988 13.153 1.00 0.00 C ATOM 34 O VAL A 3 -2.064 10.989 12.087 1.00 0.00 O ATOM 35 CB VAL A 3 -4.313 12.498 14.470 1.00 0.00 C ATOM 36 CG1 VAL A 3 -5.346 12.024 13.458 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.539 11.851 15.833 1.00 0.00 C ATOM 0 H VAL A 3 -1.645 13.978 13.766 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.224 12.145 14.872 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.451 13.574 14.571 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.347 12.204 13.849 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.218 12.571 12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.214 10.958 13.275 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.568 12.020 16.150 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.352 10.779 15.763 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.858 12.291 16.562 1.00 0.00 H new ATOM 47 N ALA A 4 -3.213 9.881 13.664 1.00 0.00 N ATOM 48 CA ALA A 4 -3.191 8.621 12.941 1.00 0.00 C ATOM 49 C ALA A 4 -4.345 8.546 11.944 1.00 0.00 C ATOM 50 O ALA A 4 -5.186 7.646 12.008 1.00 0.00 O ATOM 51 CB ALA A 4 -3.247 7.455 13.914 1.00 0.00 C ATOM 0 H ALA A 4 -3.656 9.832 14.581 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.258 8.562 12.381 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.230 6.517 13.359 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.387 7.497 14.582 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.165 7.513 14.500 1.00 0.00 H new ATOM 57 N GLU A 5 -4.393 9.508 11.036 1.00 0.00 N ATOM 58 CA GLU A 5 -5.429 9.540 10.017 1.00 0.00 C ATOM 59 C GLU A 5 -4.847 9.152 8.667 1.00 0.00 C ATOM 60 O GLU A 5 -3.719 9.520 8.335 1.00 0.00 O ATOM 61 CB GLU A 5 -6.080 10.927 9.947 1.00 0.00 C ATOM 62 CG GLU A 5 -7.276 10.989 9.009 1.00 0.00 C ATOM 63 CD GLU A 5 -8.306 9.922 9.312 1.00 0.00 C ATOM 64 OE1 GLU A 5 -9.056 10.071 10.298 1.00 0.00 O ATOM 65 OE2 GLU A 5 -8.364 8.915 8.576 1.00 0.00 O ATOM 0 H GLU A 5 -3.726 10.278 10.984 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.201 8.819 10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.397 11.222 10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.335 11.653 9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.742 11.971 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.933 10.877 7.980 1.00 0.00 H new ATOM 72 N TRP A 6 -5.624 8.407 7.903 1.00 0.00 N ATOM 73 CA TRP A 6 -5.186 7.908 6.615 1.00 0.00 C ATOM 74 C TRP A 6 -6.005 8.584 5.522 1.00 0.00 C ATOM 75 O TRP A 6 -7.226 8.690 5.641 1.00 0.00 O ATOM 76 CB TRP A 6 -5.377 6.388 6.573 1.00 0.00 C ATOM 77 CG TRP A 6 -4.417 5.666 5.675 1.00 0.00 C ATOM 78 CD1 TRP A 6 -3.576 6.211 4.748 1.00 0.00 C ATOM 79 CD2 TRP A 6 -4.200 4.250 5.629 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.856 5.221 4.127 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.219 4.010 4.651 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.739 3.163 6.321 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.769 2.729 4.345 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.291 1.892 6.019 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.314 1.683 5.038 1.00 0.00 C ATOM 0 H TRP A 6 -6.573 8.132 8.157 1.00 0.00 H new ATOM 0 HA TRP A 6 -4.131 8.131 6.457 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.276 5.994 7.584 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.394 6.171 6.246 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.490 7.266 4.535 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.162 5.365 3.393 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.493 3.314 7.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.016 2.567 3.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.701 1.045 6.549 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.984 0.677 4.824 1.00 0.00 H new ATOM 96 N ALA A 7 -5.335 9.042 4.471 1.00 0.00 N ATOM 97 CA ALA A 7 -5.998 9.770 3.389 1.00 0.00 C ATOM 98 C ALA A 7 -7.125 8.959 2.751 1.00 0.00 C ATOM 99 O ALA A 7 -8.088 9.523 2.229 1.00 0.00 O ATOM 100 CB ALA A 7 -4.986 10.176 2.333 1.00 0.00 C ATOM 0 H ALA A 7 -4.330 8.923 4.343 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.446 10.662 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.492 10.717 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.229 10.818 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.510 9.285 1.924 1.00 0.00 H new ATOM 106 N VAL A 8 -6.999 7.639 2.779 1.00 0.00 N ATOM 107 CA VAL A 8 -8.055 6.770 2.284 1.00 0.00 C ATOM 108 C VAL A 8 -9.191 6.689 3.310 1.00 0.00 C ATOM 109 O VAL A 8 -8.951 6.414 4.490 1.00 0.00 O ATOM 110 CB VAL A 8 -7.519 5.353 1.939 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.738 4.757 3.097 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.653 4.422 1.531 1.00 0.00 C ATOM 0 H VAL A 8 -6.179 7.149 3.138 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.442 7.201 1.360 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.840 5.461 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.378 3.766 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.889 5.399 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.386 4.678 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.249 3.438 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.365 4.335 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.158 4.826 0.654 1.00 0.00 H new ATOM 122 N PRO A 9 -10.435 6.965 2.870 1.00 0.00 N ATOM 123 CA PRO A 9 -11.621 6.972 3.742 1.00 0.00 C ATOM 124 C PRO A 9 -11.763 5.703 4.577 1.00 0.00 C ATOM 125 O PRO A 9 -11.399 4.608 4.138 1.00 0.00 O ATOM 126 CB PRO A 9 -12.785 7.093 2.758 1.00 0.00 C ATOM 127 CG PRO A 9 -12.204 7.787 1.578 1.00 0.00 C ATOM 128 CD PRO A 9 -10.781 7.313 1.479 1.00 0.00 C ATOM 0 HA PRO A 9 -11.569 7.778 4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.180 6.114 2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.610 7.662 3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.759 7.547 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.247 8.869 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.690 6.453 0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.126 8.090 1.085 1.00 0.00 H new ATOM 136 N GLN A 10 -12.320 5.863 5.771 1.00 0.00 N ATOM 137 CA GLN A 10 -12.446 4.778 6.739 1.00 0.00 C ATOM 138 C GLN A 10 -13.244 3.607 6.171 1.00 0.00 C ATOM 139 O GLN A 10 -12.836 2.453 6.300 1.00 0.00 O ATOM 140 CB GLN A 10 -13.103 5.301 8.020 1.00 0.00 C ATOM 141 CG GLN A 10 -13.359 4.228 9.068 1.00 0.00 C ATOM 142 CD GLN A 10 -13.756 4.816 10.407 1.00 0.00 C ATOM 143 OE1 GLN A 10 -13.322 5.909 10.772 1.00 0.00 O ATOM 144 NE2 GLN A 10 -14.594 4.107 11.143 1.00 0.00 N ATOM 0 H GLN A 10 -12.699 6.752 6.097 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.446 4.411 6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.467 6.073 8.453 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.050 5.776 7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.148 3.562 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.461 3.622 9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.931 3.205 10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.903 4.461 12.048 1.00 0.00 H new ATOM 153 N SER A 11 -14.367 3.910 5.533 1.00 0.00 N ATOM 154 CA SER A 11 -15.215 2.879 4.948 1.00 0.00 C ATOM 155 C SER A 11 -14.469 2.115 3.856 1.00 0.00 C ATOM 156 O SER A 11 -14.659 0.910 3.684 1.00 0.00 O ATOM 157 CB SER A 11 -16.488 3.514 4.391 1.00 0.00 C ATOM 158 OG SER A 11 -17.136 4.286 5.391 1.00 0.00 O ATOM 0 H SER A 11 -14.712 4.862 5.407 1.00 0.00 H new ATOM 0 HA SER A 11 -15.487 2.165 5.725 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.243 4.146 3.537 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.161 2.737 4.030 1.00 0.00 H new ATOM 0 HG SER A 11 -17.949 4.688 5.019 1.00 0.00 H new ATOM 164 N SER A 12 -13.604 2.816 3.136 1.00 0.00 N ATOM 165 CA SER A 12 -12.794 2.193 2.104 1.00 0.00 C ATOM 166 C SER A 12 -11.733 1.295 2.734 1.00 0.00 C ATOM 167 O SER A 12 -11.483 0.185 2.260 1.00 0.00 O ATOM 168 CB SER A 12 -12.139 3.272 1.243 1.00 0.00 C ATOM 169 OG SER A 12 -13.093 4.241 0.840 1.00 0.00 O ATOM 0 H SER A 12 -13.447 3.817 3.249 1.00 0.00 H new ATOM 0 HA SER A 12 -13.433 1.576 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.338 3.754 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.683 2.816 0.364 1.00 0.00 H new ATOM 0 HG SER A 12 -12.654 4.924 0.291 1.00 0.00 H new ATOM 175 N ARG A 13 -11.130 1.778 3.821 1.00 0.00 N ATOM 176 CA ARG A 13 -10.103 1.022 4.532 1.00 0.00 C ATOM 177 C ARG A 13 -10.658 -0.308 5.022 1.00 0.00 C ATOM 178 O ARG A 13 -9.970 -1.327 4.983 1.00 0.00 O ATOM 179 CB ARG A 13 -9.552 1.823 5.719 1.00 0.00 C ATOM 180 CG ARG A 13 -8.976 3.176 5.328 1.00 0.00 C ATOM 181 CD ARG A 13 -8.216 3.837 6.470 1.00 0.00 C ATOM 182 NE ARG A 13 -9.042 4.070 7.657 1.00 0.00 N ATOM 183 CZ ARG A 13 -9.240 5.276 8.197 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.815 6.370 7.573 1.00 0.00 N ATOM 185 NH2 ARG A 13 -9.891 5.389 9.344 1.00 0.00 N ATOM 0 H ARG A 13 -11.337 2.691 4.227 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.289 0.831 3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.350 1.974 6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.777 1.237 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.308 3.051 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.784 3.832 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.368 3.210 6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.811 4.788 6.125 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.491 3.266 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.335 6.292 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.969 7.288 7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.242 4.555 9.816 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.042 6.310 9.756 1.00 0.00 H new ATOM 199 N LEU A 14 -11.908 -0.292 5.466 1.00 0.00 N ATOM 200 CA LEU A 14 -12.569 -1.491 5.945 1.00 0.00 C ATOM 201 C LEU A 14 -12.681 -2.538 4.841 1.00 0.00 C ATOM 202 O LEU A 14 -12.347 -3.706 5.048 1.00 0.00 O ATOM 203 CB LEU A 14 -13.958 -1.140 6.469 1.00 0.00 C ATOM 204 CG LEU A 14 -13.988 -0.215 7.687 1.00 0.00 C ATOM 205 CD1 LEU A 14 -15.422 0.088 8.085 1.00 0.00 C ATOM 206 CD2 LEU A 14 -13.230 -0.829 8.853 1.00 0.00 C ATOM 0 H LEU A 14 -12.486 0.548 5.503 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.969 -1.912 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.523 -0.670 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.475 -2.065 6.724 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.496 0.720 7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.427 0.747 8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.934 0.576 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.935 -0.841 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.266 -0.152 9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.688 -1.780 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.192 -0.995 8.565 1.00 0.00 H new ATOM 218 N LYS A 15 -13.137 -2.109 3.669 1.00 0.00 N ATOM 219 CA LYS A 15 -13.353 -3.022 2.555 1.00 0.00 C ATOM 220 C LYS A 15 -12.046 -3.655 2.093 1.00 0.00 C ATOM 221 O LYS A 15 -11.989 -4.853 1.832 1.00 0.00 O ATOM 222 CB LYS A 15 -14.022 -2.304 1.381 1.00 0.00 C ATOM 223 CG LYS A 15 -14.323 -3.233 0.214 1.00 0.00 C ATOM 224 CD LYS A 15 -14.983 -2.511 -0.947 1.00 0.00 C ATOM 225 CE LYS A 15 -15.341 -3.484 -2.060 1.00 0.00 C ATOM 226 NZ LYS A 15 -16.051 -2.819 -3.181 1.00 0.00 N ATOM 0 H LYS A 15 -13.364 -1.135 3.467 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.014 -3.813 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.950 -1.846 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.375 -1.497 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.396 -3.694 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.973 -4.039 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.883 -2.003 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.312 -1.743 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.432 -3.953 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.967 -4.280 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.275 -3.521 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.932 -2.393 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.444 -2.077 -3.585 1.00 0.00 H new ATOM 240 N TYR A 16 -10.990 -2.861 2.006 1.00 0.00 N ATOM 241 CA TYR A 16 -9.716 -3.380 1.527 1.00 0.00 C ATOM 242 C TYR A 16 -8.995 -4.150 2.630 1.00 0.00 C ATOM 243 O TYR A 16 -8.082 -4.925 2.358 1.00 0.00 O ATOM 244 CB TYR A 16 -8.810 -2.257 1.015 1.00 0.00 C ATOM 245 CG TYR A 16 -9.443 -1.335 -0.008 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.178 -1.832 -1.079 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.300 0.043 0.101 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.748 -0.981 -2.008 1.00 0.00 C ATOM 249 CE2 TYR A 16 -9.864 0.897 -0.824 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.589 0.381 -1.875 1.00 0.00 C ATOM 251 OH TYR A 16 -11.145 1.235 -2.800 1.00 0.00 O ATOM 0 H TYR A 16 -10.987 -1.872 2.256 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.935 -4.055 0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.482 -1.660 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.918 -2.703 0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.306 -2.899 -1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.736 0.453 0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.316 -1.382 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.738 1.965 -0.724 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.938 2.161 -2.556 1.00 0.00 H new ATOM 261 N ARG A 17 -9.391 -3.931 3.877 1.00 0.00 N ATOM 262 CA ARG A 17 -8.865 -4.731 4.975 1.00 0.00 C ATOM 263 C ARG A 17 -9.517 -6.104 4.932 1.00 0.00 C ATOM 264 O ARG A 17 -8.944 -7.091 5.369 1.00 0.00 O ATOM 265 CB ARG A 17 -9.129 -4.072 6.333 1.00 0.00 C ATOM 266 CG ARG A 17 -8.260 -4.637 7.448 1.00 0.00 C ATOM 267 CD ARG A 17 -6.821 -4.174 7.297 1.00 0.00 C ATOM 268 NE ARG A 17 -5.904 -4.857 8.211 1.00 0.00 N ATOM 269 CZ ARG A 17 -5.122 -4.222 9.085 1.00 0.00 C ATOM 270 NH1 ARG A 17 -5.277 -2.920 9.297 1.00 0.00 N ATOM 271 NH2 ARG A 17 -4.205 -4.889 9.772 1.00 0.00 N ATOM 0 H ARG A 17 -10.065 -3.216 4.151 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.785 -4.817 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.953 -3.000 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.179 -4.203 6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.649 -4.319 8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.300 -5.726 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.496 -4.343 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.770 -3.100 7.474 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.861 -5.876 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.996 -2.403 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.677 -2.437 9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.095 -5.894 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.610 -4.398 10.439 1.00 0.00 H new ATOM 285 N GLN A 18 -10.719 -6.133 4.373 1.00 0.00 N ATOM 286 CA GLN A 18 -11.507 -7.352 4.215 1.00 0.00 C ATOM 287 C GLN A 18 -10.987 -8.212 3.073 1.00 0.00 C ATOM 288 O GLN A 18 -11.309 -9.387 2.961 1.00 0.00 O ATOM 289 CB GLN A 18 -12.939 -6.969 3.879 1.00 0.00 C ATOM 290 CG GLN A 18 -13.847 -6.731 5.071 1.00 0.00 C ATOM 291 CD GLN A 18 -15.195 -6.179 4.650 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.304 -5.471 3.649 1.00 0.00 O ATOM 293 NE2 GLN A 18 -16.231 -6.505 5.404 1.00 0.00 N ATOM 0 H GLN A 18 -11.182 -5.300 4.011 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.442 -7.914 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.922 -6.065 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.373 -7.758 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.990 -7.667 5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.368 -6.035 5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.098 -7.094 6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.163 -6.167 5.164 1.00 0.00 H new ATOM 302 N LEU A 19 -10.203 -7.595 2.227 1.00 0.00 N ATOM 303 CA LEU A 19 -9.799 -8.170 0.947 1.00 0.00 C ATOM 304 C LEU A 19 -8.516 -7.540 0.499 1.00 0.00 C ATOM 305 O LEU A 19 -8.392 -7.254 -0.680 1.00 0.00 O ATOM 306 CB LEU A 19 -10.817 -7.780 -0.102 1.00 0.00 C ATOM 307 CG LEU A 19 -11.074 -8.818 -1.188 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.867 -9.990 -0.638 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.790 -8.182 -2.369 1.00 0.00 C ATOM 0 H LEU A 19 -9.816 -6.667 2.399 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.705 -9.250 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.761 -7.561 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.486 -6.857 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.114 -9.199 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.038 -10.718 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.308 -10.460 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.825 -9.635 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.967 -8.936 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.744 -7.771 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.174 -7.383 -2.781 1.00 0.00 H new ATOM 321 N PHE A 20 -7.535 -7.348 1.358 1.00 0.00 N ATOM 322 CA PHE A 20 -6.850 -8.371 2.183 1.00 0.00 C ATOM 323 C PHE A 20 -7.660 -9.523 2.809 1.00 0.00 C ATOM 324 O PHE A 20 -7.761 -10.582 2.196 1.00 0.00 O ATOM 325 CB PHE A 20 -6.071 -7.648 3.280 1.00 0.00 C ATOM 326 CG PHE A 20 -4.865 -8.400 3.750 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.677 -8.321 3.043 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.916 -9.183 4.890 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.560 -9.010 3.465 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.802 -9.874 5.315 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.623 -9.786 4.604 1.00 0.00 C ATOM 0 H PHE A 20 -7.156 -6.415 1.523 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.238 -8.904 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.759 -6.671 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.732 -7.471 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.625 -7.713 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.836 -9.253 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.639 -8.943 2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.852 -10.484 6.205 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.749 -10.325 4.939 1.00 0.00 H new ATOM 341 N ASN A 21 -8.256 -9.312 3.986 1.00 0.00 N ATOM 342 CA ASN A 21 -8.472 -10.397 4.980 1.00 0.00 C ATOM 343 C ASN A 21 -9.058 -11.699 4.417 1.00 0.00 C ATOM 344 O ASN A 21 -8.574 -12.777 4.756 1.00 0.00 O ATOM 345 CB ASN A 21 -9.366 -9.897 6.119 1.00 0.00 C ATOM 346 CG ASN A 21 -9.578 -10.935 7.210 1.00 0.00 C ATOM 347 OD1 ASN A 21 -10.540 -11.704 7.176 1.00 0.00 O ATOM 348 ND2 ASN A 21 -8.683 -10.959 8.186 1.00 0.00 N ATOM 0 H ASN A 21 -8.603 -8.401 4.286 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.473 -10.650 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.921 -9.004 6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.334 -9.604 5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.776 -11.632 8.947 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.901 -10.305 8.177 1.00 0.00 H new ATOM 355 N SER A 22 -10.067 -11.617 3.564 1.00 0.00 N ATOM 356 CA SER A 22 -10.701 -12.811 3.015 1.00 0.00 C ATOM 357 C SER A 22 -9.707 -13.686 2.244 1.00 0.00 C ATOM 358 O SER A 22 -9.923 -14.885 2.072 1.00 0.00 O ATOM 359 CB SER A 22 -11.858 -12.417 2.102 1.00 0.00 C ATOM 360 OG SER A 22 -12.796 -11.609 2.789 1.00 0.00 O ATOM 0 H SER A 22 -10.466 -10.738 3.235 1.00 0.00 H new ATOM 0 HA SER A 22 -11.077 -13.396 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.475 -11.878 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.351 -13.314 1.727 1.00 0.00 H new ATOM 0 HG SER A 22 -12.410 -10.722 2.947 1.00 0.00 H new ATOM 366 N HIS A 23 -8.625 -13.080 1.771 1.00 0.00 N ATOM 367 CA HIS A 23 -7.626 -13.794 0.981 1.00 0.00 C ATOM 368 C HIS A 23 -6.382 -14.120 1.804 1.00 0.00 C ATOM 369 O HIS A 23 -5.369 -14.561 1.262 1.00 0.00 O ATOM 370 CB HIS A 23 -7.250 -12.982 -0.262 1.00 0.00 C ATOM 371 CG HIS A 23 -8.280 -13.056 -1.348 1.00 0.00 C ATOM 372 ND1 HIS A 23 -8.246 -13.985 -2.368 1.00 0.00 N ATOM 373 CD2 HIS A 23 -9.392 -12.316 -1.558 1.00 0.00 C ATOM 374 CE1 HIS A 23 -9.291 -13.807 -3.155 1.00 0.00 C ATOM 375 NE2 HIS A 23 -10.006 -12.801 -2.686 1.00 0.00 N ATOM 0 H HIS A 23 -8.415 -12.093 1.921 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.067 -14.740 0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.105 -11.940 0.023 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.297 -13.342 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.735 -11.493 -0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.522 -14.388 -4.036 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.870 -12.444 -3.094 1.00 0.00 H new ATOM 384 N ASP A 24 -6.461 -13.907 3.109 1.00 0.00 N ATOM 385 CA ASP A 24 -5.374 -14.289 4.004 1.00 0.00 C ATOM 386 C ASP A 24 -5.814 -15.462 4.864 1.00 0.00 C ATOM 387 O ASP A 24 -6.975 -15.554 5.267 1.00 0.00 O ATOM 388 CB ASP A 24 -4.929 -13.112 4.889 1.00 0.00 C ATOM 389 CG ASP A 24 -3.764 -13.457 5.822 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.085 -14.484 5.603 1.00 0.00 O ATOM 391 OD2 ASP A 24 -3.534 -12.710 6.799 1.00 0.00 O ATOM 0 H ASP A 24 -7.261 -13.474 3.572 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.517 -14.582 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.639 -12.277 4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.776 -12.776 5.487 1.00 0.00 H new ATOM 396 N LYS A 25 -4.887 -16.361 5.120 1.00 0.00 N ATOM 397 CA LYS A 25 -5.149 -17.535 5.931 1.00 0.00 C ATOM 398 C LYS A 25 -4.809 -17.244 7.385 1.00 0.00 C ATOM 399 O LYS A 25 -5.095 -18.039 8.283 1.00 0.00 O ATOM 400 CB LYS A 25 -4.325 -18.716 5.410 1.00 0.00 C ATOM 401 CG LYS A 25 -2.845 -18.406 5.268 1.00 0.00 C ATOM 402 CD LYS A 25 -2.121 -19.487 4.489 1.00 0.00 C ATOM 403 CE LYS A 25 -0.691 -19.083 4.175 1.00 0.00 C ATOM 404 NZ LYS A 25 -0.037 -20.053 3.267 1.00 0.00 N ATOM 0 H LYS A 25 -3.930 -16.300 4.772 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.206 -17.792 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.448 -19.561 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.718 -19.024 4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.720 -17.448 4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.397 -18.307 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.121 -20.413 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.656 -19.688 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.684 -18.094 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.121 -19.010 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.938 -19.745 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.022 -20.992 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.567 -20.104 2.374 1.00 0.00 H new ATOM 418 N THR A 26 -4.193 -16.092 7.603 1.00 0.00 N ATOM 419 CA THR A 26 -3.813 -15.668 8.934 1.00 0.00 C ATOM 420 C THR A 26 -4.845 -14.698 9.504 1.00 0.00 C ATOM 421 O THR A 26 -5.721 -15.093 10.274 1.00 0.00 O ATOM 422 CB THR A 26 -2.436 -14.985 8.914 1.00 0.00 C ATOM 423 OG1 THR A 26 -1.612 -15.585 7.908 1.00 0.00 O ATOM 424 CG2 THR A 26 -1.752 -15.101 10.268 1.00 0.00 C ATOM 0 H THR A 26 -3.946 -15.432 6.866 1.00 0.00 H new ATOM 0 HA THR A 26 -3.765 -16.556 9.565 1.00 0.00 H new ATOM 0 HB THR A 26 -2.581 -13.929 8.688 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.916 -15.297 7.022 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.780 -14.610 10.228 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.369 -14.623 11.029 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.617 -16.153 10.518 1.00 0.00 H new ATOM 432 N MET A 27 -4.744 -13.438 9.083 1.00 0.00 N ATOM 433 CA MET A 27 -5.618 -12.363 9.557 1.00 0.00 C ATOM 434 C MET A 27 -5.132 -11.036 8.994 1.00 0.00 C ATOM 435 O MET A 27 -5.923 -10.172 8.613 1.00 0.00 O ATOM 436 CB MET A 27 -5.635 -12.288 11.091 1.00 0.00 C ATOM 437 CG MET A 27 -6.562 -11.212 11.643 1.00 0.00 C ATOM 438 SD MET A 27 -6.510 -11.099 13.443 1.00 0.00 S ATOM 439 CE MET A 27 -7.663 -9.755 13.726 1.00 0.00 C ATOM 0 H MET A 27 -4.051 -13.132 8.400 1.00 0.00 H new ATOM 0 HA MET A 27 -6.632 -12.572 9.216 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.939 -13.256 11.490 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.622 -12.100 11.448 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.287 -10.248 11.215 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.584 -11.422 11.326 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.742 -9.562 14.796 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.306 -8.857 13.221 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.643 -10.027 13.333 1.00 0.00 H new ATOM 449 N SER A 28 -3.814 -10.893 8.949 1.00 0.00 N ATOM 450 CA SER A 28 -3.181 -9.673 8.482 1.00 0.00 C ATOM 451 C SER A 28 -1.690 -9.931 8.246 1.00 0.00 C ATOM 452 O SER A 28 -0.855 -9.044 8.437 1.00 0.00 O ATOM 453 CB SER A 28 -3.380 -8.561 9.521 1.00 0.00 C ATOM 454 OG SER A 28 -2.978 -7.299 9.015 1.00 0.00 O ATOM 0 H SER A 28 -3.157 -11.619 9.235 1.00 0.00 H new ATOM 0 HA SER A 28 -3.635 -9.357 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.429 -8.519 9.814 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.807 -8.794 10.419 1.00 0.00 H new ATOM 0 HG SER A 28 -2.088 -7.377 8.612 1.00 0.00 H new ATOM 460 N GLY A 29 -1.371 -11.134 7.778 1.00 0.00 N ATOM 461 CA GLY A 29 0.018 -11.563 7.710 1.00 0.00 C ATOM 462 C GLY A 29 0.659 -11.374 6.347 1.00 0.00 C ATOM 463 O GLY A 29 1.420 -12.232 5.909 1.00 0.00 O ATOM 0 H GLY A 29 -2.048 -11.820 7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.595 -11.009 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.076 -12.616 7.984 1.00 0.00 H new ATOM 467 N HIS A 30 0.364 -10.232 5.716 1.00 0.00 N ATOM 468 CA HIS A 30 0.882 -9.841 4.384 1.00 0.00 C ATOM 469 C HIS A 30 0.628 -10.886 3.288 1.00 0.00 C ATOM 470 O HIS A 30 0.418 -12.067 3.546 1.00 0.00 O ATOM 471 CB HIS A 30 2.385 -9.451 4.406 1.00 0.00 C ATOM 472 CG HIS A 30 3.367 -10.570 4.647 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.012 -10.748 5.851 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.845 -11.543 3.826 1.00 0.00 C ATOM 475 CE1 HIS A 30 4.836 -11.774 5.764 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.757 -12.276 4.547 1.00 0.00 N ATOM 0 H HIS A 30 -0.257 -9.531 6.121 1.00 0.00 H new ATOM 0 HA HIS A 30 0.303 -8.954 4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.630 -8.982 3.453 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.531 -8.697 5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.561 -11.709 2.797 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.470 -12.142 6.557 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.285 -13.076 4.199 1.00 0.00 H new ATOM 485 N LEU A 31 0.642 -10.423 2.052 1.00 0.00 N ATOM 486 CA LEU A 31 0.555 -11.298 0.896 1.00 0.00 C ATOM 487 C LEU A 31 1.841 -11.183 0.090 1.00 0.00 C ATOM 488 O LEU A 31 2.527 -10.161 0.157 1.00 0.00 O ATOM 489 CB LEU A 31 -0.649 -10.930 0.021 1.00 0.00 C ATOM 490 CG LEU A 31 -2.016 -11.081 0.691 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.123 -10.634 -0.251 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.240 -12.521 1.128 1.00 0.00 C ATOM 0 H LEU A 31 0.714 -9.432 1.821 1.00 0.00 H new ATOM 0 HA LEU A 31 0.421 -12.325 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.536 -9.897 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.631 -11.553 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.037 -10.445 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.088 -10.748 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.973 -9.588 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.102 -11.245 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.217 -12.609 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.199 -13.176 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.465 -12.811 1.837 1.00 0.00 H new ATOM 504 N THR A 32 2.174 -12.222 -0.657 1.00 0.00 N ATOM 505 CA THR A 32 3.390 -12.223 -1.453 1.00 0.00 C ATOM 506 C THR A 32 3.177 -11.481 -2.768 1.00 0.00 C ATOM 507 O THR A 32 2.049 -11.118 -3.104 1.00 0.00 O ATOM 508 CB THR A 32 3.865 -13.659 -1.728 1.00 0.00 C ATOM 509 OG1 THR A 32 2.759 -14.465 -2.139 1.00 0.00 O ATOM 510 CG2 THR A 32 4.506 -14.267 -0.492 1.00 0.00 C ATOM 0 H THR A 32 1.620 -13.075 -0.729 1.00 0.00 H new ATOM 0 HA THR A 32 4.162 -11.706 -0.882 1.00 0.00 H new ATOM 0 HB THR A 32 4.610 -13.625 -2.523 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.067 -15.379 -2.315 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.833 -15.283 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.365 -13.666 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.780 -14.289 0.321 1.00 0.00 H new ATOM 518 N GLY A 33 4.264 -11.271 -3.500 1.00 0.00 N ATOM 519 CA GLY A 33 4.214 -10.513 -4.739 1.00 0.00 C ATOM 520 C GLY A 33 3.189 -11.041 -5.726 1.00 0.00 C ATOM 521 O GLY A 33 2.224 -10.343 -6.048 1.00 0.00 O ATOM 0 H GLY A 33 5.192 -11.617 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.985 -9.472 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.199 -10.528 -5.206 1.00 0.00 H new ATOM 525 N PRO A 34 3.374 -12.272 -6.236 1.00 0.00 N ATOM 526 CA PRO A 34 2.448 -12.873 -7.198 1.00 0.00 C ATOM 527 C PRO A 34 1.018 -12.928 -6.671 1.00 0.00 C ATOM 528 O PRO A 34 0.075 -12.650 -7.405 1.00 0.00 O ATOM 529 CB PRO A 34 2.994 -14.290 -7.398 1.00 0.00 C ATOM 530 CG PRO A 34 4.428 -14.209 -7.005 1.00 0.00 C ATOM 531 CD PRO A 34 4.504 -13.167 -5.927 1.00 0.00 C ATOM 0 HA PRO A 34 2.394 -12.292 -8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.456 -15.011 -6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.886 -14.612 -8.434 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.788 -15.172 -6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.051 -13.935 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.408 -13.608 -4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.455 -12.635 -5.949 1.00 0.00 H new ATOM 539 N GLN A 35 0.862 -13.270 -5.395 1.00 0.00 N ATOM 540 CA GLN A 35 -0.464 -13.389 -4.796 1.00 0.00 C ATOM 541 C GLN A 35 -1.170 -12.038 -4.771 1.00 0.00 C ATOM 542 O GLN A 35 -2.349 -11.938 -5.112 1.00 0.00 O ATOM 543 CB GLN A 35 -0.376 -13.975 -3.385 1.00 0.00 C ATOM 544 CG GLN A 35 0.101 -15.419 -3.361 1.00 0.00 C ATOM 545 CD GLN A 35 -0.747 -16.327 -4.230 1.00 0.00 C ATOM 546 OE1 GLN A 35 -0.471 -16.503 -5.416 1.00 0.00 O ATOM 547 NE2 GLN A 35 -1.782 -16.909 -3.647 1.00 0.00 N ATOM 0 H GLN A 35 1.634 -13.469 -4.758 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.050 -14.071 -5.412 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.303 -13.366 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.357 -13.916 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.136 -15.462 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.086 -15.786 -2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.976 -16.736 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.386 -17.531 -4.184 1.00 0.00 H new ATOM 556 N ALA A 36 -0.439 -11.001 -4.383 1.00 0.00 N ATOM 557 CA ALA A 36 -0.973 -9.646 -4.384 1.00 0.00 C ATOM 558 C ALA A 36 -1.371 -9.235 -5.798 1.00 0.00 C ATOM 559 O ALA A 36 -2.485 -8.767 -6.036 1.00 0.00 O ATOM 560 CB ALA A 36 0.055 -8.679 -3.818 1.00 0.00 C ATOM 0 H ALA A 36 0.527 -11.073 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.862 -9.618 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.354 -7.669 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.300 -8.966 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.957 -8.708 -4.429 1.00 0.00 H new ATOM 566 N ARG A 37 -0.461 -9.464 -6.741 1.00 0.00 N ATOM 567 CA ARG A 37 -0.674 -9.089 -8.136 1.00 0.00 C ATOM 568 C ARG A 37 -1.809 -9.886 -8.774 1.00 0.00 C ATOM 569 O ARG A 37 -2.475 -9.403 -9.685 1.00 0.00 O ATOM 570 CB ARG A 37 0.621 -9.242 -8.937 1.00 0.00 C ATOM 571 CG ARG A 37 1.583 -8.083 -8.729 1.00 0.00 C ATOM 572 CD ARG A 37 2.704 -8.080 -9.757 1.00 0.00 C ATOM 573 NE ARG A 37 3.688 -9.136 -9.527 1.00 0.00 N ATOM 574 CZ ARG A 37 4.597 -9.511 -10.428 1.00 0.00 C ATOM 575 NH1 ARG A 37 4.604 -8.946 -11.630 1.00 0.00 N ATOM 576 NH2 ARG A 37 5.498 -10.442 -10.128 1.00 0.00 N ATOM 0 H ARG A 37 0.438 -9.911 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.971 -8.040 -8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.112 -10.172 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.380 -9.322 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.035 -7.142 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.010 -8.142 -7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.277 -8.198 -10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.205 -7.112 -9.738 1.00 0.00 H new ATOM 0 HE ARG A 37 3.679 -9.614 -8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.916 -8.229 -11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.297 -9.229 -12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.497 -10.874 -9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.190 -10.724 -10.822 1.00 0.00 H new ATOM 590 N THR A 38 -2.022 -11.104 -8.298 1.00 0.00 N ATOM 591 CA THR A 38 -3.120 -11.934 -8.784 1.00 0.00 C ATOM 592 C THR A 38 -4.464 -11.253 -8.520 1.00 0.00 C ATOM 593 O THR A 38 -5.353 -11.255 -9.375 1.00 0.00 O ATOM 594 CB THR A 38 -3.107 -13.330 -8.122 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.886 -14.014 -8.440 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.290 -14.174 -8.580 1.00 0.00 C ATOM 0 H THR A 38 -1.450 -11.542 -7.576 1.00 0.00 H new ATOM 0 HA THR A 38 -2.984 -12.061 -9.858 1.00 0.00 H new ATOM 0 HB THR A 38 -3.182 -13.186 -7.044 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.129 -13.530 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.250 -15.150 -8.095 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.220 -13.673 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.247 -14.304 -9.661 1.00 0.00 H new ATOM 604 N ILE A 39 -4.598 -10.657 -7.342 1.00 0.00 N ATOM 605 CA ILE A 39 -5.807 -9.923 -6.994 1.00 0.00 C ATOM 606 C ILE A 39 -5.852 -8.604 -7.761 1.00 0.00 C ATOM 607 O ILE A 39 -6.906 -8.175 -8.231 1.00 0.00 O ATOM 608 CB ILE A 39 -5.883 -9.643 -5.477 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.760 -10.952 -4.692 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.185 -8.934 -5.128 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.739 -10.766 -3.189 1.00 0.00 C ATOM 0 H ILE A 39 -3.885 -10.668 -6.613 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.663 -10.540 -7.268 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.054 -8.991 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.594 -11.603 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.847 -11.463 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.220 -8.745 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.239 -7.987 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.029 -9.562 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.650 -11.738 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.889 -10.142 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.663 -10.284 -2.869 1.00 0.00 H new ATOM 623 N LEU A 40 -4.686 -7.986 -7.902 1.00 0.00 N ATOM 624 CA LEU A 40 -4.549 -6.736 -8.645 1.00 0.00 C ATOM 625 C LEU A 40 -4.975 -6.914 -10.103 1.00 0.00 C ATOM 626 O LEU A 40 -5.629 -6.046 -10.685 1.00 0.00 O ATOM 627 CB LEU A 40 -3.098 -6.251 -8.584 1.00 0.00 C ATOM 628 CG LEU A 40 -2.559 -5.952 -7.183 1.00 0.00 C ATOM 629 CD1 LEU A 40 -1.149 -5.394 -7.270 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.471 -4.986 -6.441 1.00 0.00 C ATOM 0 H LEU A 40 -3.812 -8.333 -7.507 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.201 -5.993 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.462 -7.006 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.010 -5.348 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.532 -6.886 -6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.778 -5.186 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.499 -6.123 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.158 -4.473 -7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.064 -4.791 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.538 -4.050 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.465 -5.424 -6.346 1.00 0.00 H new ATOM 642 N MET A 41 -4.612 -8.059 -10.676 1.00 0.00 N ATOM 643 CA MET A 41 -4.925 -8.377 -12.069 1.00 0.00 C ATOM 644 C MET A 41 -6.436 -8.445 -12.299 1.00 0.00 C ATOM 645 O MET A 41 -6.915 -8.256 -13.420 1.00 0.00 O ATOM 646 CB MET A 41 -4.272 -9.712 -12.456 1.00 0.00 C ATOM 647 CG MET A 41 -4.519 -10.130 -13.900 1.00 0.00 C ATOM 648 SD MET A 41 -3.868 -8.948 -15.096 1.00 0.00 S ATOM 649 CE MET A 41 -4.323 -9.753 -16.631 1.00 0.00 C ATOM 0 H MET A 41 -4.094 -8.791 -10.190 1.00 0.00 H new ATOM 0 HA MET A 41 -4.527 -7.581 -12.698 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.197 -9.640 -12.289 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.646 -10.493 -11.794 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.062 -11.104 -14.074 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.591 -10.248 -14.060 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.990 -9.146 -17.473 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.850 -10.734 -16.681 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.406 -9.869 -16.674 1.00 0.00 H new ATOM 659 N GLN A 42 -7.188 -8.692 -11.233 1.00 0.00 N ATOM 660 CA GLN A 42 -8.640 -8.805 -11.337 1.00 0.00 C ATOM 661 C GLN A 42 -9.281 -7.442 -11.573 1.00 0.00 C ATOM 662 O GLN A 42 -10.468 -7.346 -11.870 1.00 0.00 O ATOM 663 CB GLN A 42 -9.224 -9.452 -10.081 1.00 0.00 C ATOM 664 CG GLN A 42 -8.626 -10.815 -9.773 1.00 0.00 C ATOM 665 CD GLN A 42 -8.742 -11.789 -10.934 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.686 -11.730 -11.721 1.00 0.00 O ATOM 667 NE2 GLN A 42 -7.771 -12.681 -11.055 1.00 0.00 N ATOM 0 H GLN A 42 -6.820 -8.818 -10.290 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.863 -9.441 -12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.060 -8.790 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.302 -9.555 -10.202 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.575 -10.694 -9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.126 -11.236 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.006 -12.696 -10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.788 -13.353 -11.822 1.00 0.00 H new ATOM 676 N SER A 43 -8.487 -6.387 -11.441 1.00 0.00 N ATOM 677 CA SER A 43 -8.963 -5.042 -11.714 1.00 0.00 C ATOM 678 C SER A 43 -8.873 -4.741 -13.210 1.00 0.00 C ATOM 679 O SER A 43 -9.427 -3.748 -13.687 1.00 0.00 O ATOM 680 CB SER A 43 -8.157 -4.014 -10.914 1.00 0.00 C ATOM 681 OG SER A 43 -8.662 -2.705 -11.111 1.00 0.00 O ATOM 0 H SER A 43 -7.512 -6.439 -11.147 1.00 0.00 H new ATOM 0 HA SER A 43 -10.007 -4.976 -11.407 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.192 -4.265 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.110 -4.053 -11.216 1.00 0.00 H new ATOM 0 HG SER A 43 -9.048 -2.635 -12.009 1.00 0.00 H new ATOM 687 N SER A 44 -8.161 -5.604 -13.939 1.00 0.00 N ATOM 688 CA SER A 44 -8.032 -5.496 -15.391 1.00 0.00 C ATOM 689 C SER A 44 -7.281 -4.219 -15.794 1.00 0.00 C ATOM 690 O SER A 44 -7.440 -3.716 -16.911 1.00 0.00 O ATOM 691 CB SER A 44 -9.423 -5.545 -16.046 1.00 0.00 C ATOM 692 OG SER A 44 -9.332 -5.591 -17.461 1.00 0.00 O ATOM 0 H SER A 44 -7.659 -6.396 -13.538 1.00 0.00 H new ATOM 0 HA SER A 44 -7.445 -6.343 -15.747 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.964 -6.420 -15.687 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.998 -4.669 -15.746 1.00 0.00 H new ATOM 0 HG SER A 44 -8.637 -4.970 -17.764 1.00 0.00 H new ATOM 698 N LEU A 45 -6.448 -3.711 -14.895 1.00 0.00 N ATOM 699 CA LEU A 45 -5.653 -2.522 -15.181 1.00 0.00 C ATOM 700 C LEU A 45 -4.427 -2.884 -16.017 1.00 0.00 C ATOM 701 O LEU A 45 -3.927 -4.010 -15.945 1.00 0.00 O ATOM 702 CB LEU A 45 -5.215 -1.835 -13.884 1.00 0.00 C ATOM 703 CG LEU A 45 -6.347 -1.263 -13.031 1.00 0.00 C ATOM 704 CD1 LEU A 45 -5.787 -0.615 -11.776 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.164 -0.254 -13.826 1.00 0.00 C ATOM 0 H LEU A 45 -6.305 -4.102 -13.964 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.276 -1.831 -15.749 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.657 -2.553 -13.283 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.528 -1.027 -14.135 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.003 -2.083 -12.739 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.605 -0.212 -11.179 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.244 -1.359 -11.193 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.109 0.192 -12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.964 0.140 -13.200 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.519 0.563 -14.148 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.595 -0.742 -14.700 1.00 0.00 H new ATOM 717 N PRO A 46 -3.937 -1.940 -16.837 1.00 0.00 N ATOM 718 CA PRO A 46 -2.748 -2.157 -17.654 1.00 0.00 C ATOM 719 C PRO A 46 -1.473 -2.154 -16.811 1.00 0.00 C ATOM 720 O PRO A 46 -1.420 -1.534 -15.743 1.00 0.00 O ATOM 721 CB PRO A 46 -2.759 -0.980 -18.628 1.00 0.00 C ATOM 722 CG PRO A 46 -3.505 0.096 -17.921 1.00 0.00 C ATOM 723 CD PRO A 46 -4.508 -0.593 -17.034 1.00 0.00 C ATOM 0 HA PRO A 46 -2.761 -3.126 -18.153 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.746 -0.662 -18.874 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.246 -1.248 -19.566 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.828 0.716 -17.333 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.004 0.755 -18.632 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.631 -0.068 -16.087 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.491 -0.640 -17.503 1.00 0.00 H new ATOM 731 N GLN A 47 -0.442 -2.835 -17.301 1.00 0.00 N ATOM 732 CA GLN A 47 0.799 -2.996 -16.550 1.00 0.00 C ATOM 733 C GLN A 47 1.491 -1.656 -16.302 1.00 0.00 C ATOM 734 O GLN A 47 2.245 -1.513 -15.341 1.00 0.00 O ATOM 735 CB GLN A 47 1.742 -3.962 -17.274 1.00 0.00 C ATOM 736 CG GLN A 47 2.090 -3.539 -18.694 1.00 0.00 C ATOM 737 CD GLN A 47 3.092 -4.468 -19.351 1.00 0.00 C ATOM 738 OE1 GLN A 47 2.721 -5.449 -20.001 1.00 0.00 O ATOM 739 NE2 GLN A 47 4.369 -4.167 -19.183 1.00 0.00 N ATOM 0 H GLN A 47 -0.441 -3.285 -18.216 1.00 0.00 H new ATOM 0 HA GLN A 47 0.542 -3.416 -15.578 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.662 -4.055 -16.698 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.282 -4.950 -17.302 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.180 -3.510 -19.294 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.494 -2.527 -18.679 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.632 -3.346 -18.638 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.091 -4.756 -19.599 1.00 0.00 H new ATOM 748 N ALA A 48 1.227 -0.675 -17.159 1.00 0.00 N ATOM 749 CA ALA A 48 1.786 0.659 -16.980 1.00 0.00 C ATOM 750 C ALA A 48 1.294 1.284 -15.679 1.00 0.00 C ATOM 751 O ALA A 48 2.086 1.804 -14.891 1.00 0.00 O ATOM 752 CB ALA A 48 1.430 1.546 -18.160 1.00 0.00 C ATOM 0 H ALA A 48 0.632 -0.778 -17.981 1.00 0.00 H new ATOM 0 HA ALA A 48 2.871 0.568 -16.926 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.855 2.538 -18.010 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.833 1.113 -19.075 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.346 1.624 -18.242 1.00 0.00 H new ATOM 758 N GLN A 49 -0.013 1.215 -15.449 1.00 0.00 N ATOM 759 CA GLN A 49 -0.597 1.757 -14.233 1.00 0.00 C ATOM 760 C GLN A 49 -0.265 0.868 -13.042 1.00 0.00 C ATOM 761 O GLN A 49 0.027 1.361 -11.954 1.00 0.00 O ATOM 762 CB GLN A 49 -2.113 1.902 -14.374 1.00 0.00 C ATOM 763 CG GLN A 49 -2.536 2.852 -15.484 1.00 0.00 C ATOM 764 CD GLN A 49 -4.028 3.117 -15.492 1.00 0.00 C ATOM 765 OE1 GLN A 49 -4.793 2.396 -16.126 1.00 0.00 O ATOM 766 NE2 GLN A 49 -4.452 4.160 -14.796 1.00 0.00 N ATOM 0 H GLN A 49 -0.684 0.790 -16.088 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.171 2.746 -14.065 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.547 0.920 -14.563 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.525 2.256 -13.429 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.004 3.797 -15.370 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.240 2.434 -16.446 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.785 4.735 -14.282 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.446 4.388 -14.774 1.00 0.00 H new ATOM 775 N LEU A 50 -0.292 -0.446 -13.264 1.00 0.00 N ATOM 776 CA LEU A 50 -0.006 -1.416 -12.215 1.00 0.00 C ATOM 777 C LEU A 50 1.398 -1.236 -11.647 1.00 0.00 C ATOM 778 O LEU A 50 1.592 -1.287 -10.433 1.00 0.00 O ATOM 779 CB LEU A 50 -0.179 -2.840 -12.750 1.00 0.00 C ATOM 780 CG LEU A 50 -1.626 -3.272 -13.002 1.00 0.00 C ATOM 781 CD1 LEU A 50 -1.668 -4.691 -13.544 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.444 -3.166 -11.722 1.00 0.00 C ATOM 0 H LEU A 50 -0.511 -0.862 -14.169 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.716 -1.246 -11.406 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.378 -2.930 -13.683 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.272 -3.534 -12.041 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.062 -2.605 -13.745 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.703 -4.984 -13.718 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.115 -4.739 -14.482 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.216 -5.370 -12.821 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.470 -3.477 -11.919 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.010 -3.811 -10.958 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.439 -2.134 -11.371 1.00 0.00 H new ATOM 794 N ALA A 51 2.370 -1.011 -12.527 1.00 0.00 N ATOM 795 CA ALA A 51 3.750 -0.819 -12.103 1.00 0.00 C ATOM 796 C ALA A 51 3.885 0.434 -11.250 1.00 0.00 C ATOM 797 O ALA A 51 4.699 0.483 -10.328 1.00 0.00 O ATOM 798 CB ALA A 51 4.673 -0.736 -13.311 1.00 0.00 C ATOM 0 H ALA A 51 2.226 -0.958 -13.535 1.00 0.00 H new ATOM 0 HA ALA A 51 4.041 -1.679 -11.499 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.700 -0.592 -12.975 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.605 -1.660 -13.885 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.376 0.104 -13.939 1.00 0.00 H new ATOM 804 N SER A 52 3.073 1.439 -11.558 1.00 0.00 N ATOM 805 CA SER A 52 3.087 2.689 -10.815 1.00 0.00 C ATOM 806 C SER A 52 2.432 2.494 -9.447 1.00 0.00 C ATOM 807 O SER A 52 2.992 2.889 -8.423 1.00 0.00 O ATOM 808 CB SER A 52 2.360 3.783 -11.609 1.00 0.00 C ATOM 809 OG SER A 52 2.522 5.062 -11.016 1.00 0.00 O ATOM 0 H SER A 52 2.396 1.410 -12.320 1.00 0.00 H new ATOM 0 HA SER A 52 4.121 3.000 -10.663 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.741 3.805 -12.630 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.299 3.543 -11.670 1.00 0.00 H new ATOM 0 HG SER A 52 2.047 5.733 -11.550 1.00 0.00 H new ATOM 815 N ILE A 53 1.262 1.860 -9.440 1.00 0.00 N ATOM 816 CA ILE A 53 0.525 1.601 -8.204 1.00 0.00 C ATOM 817 C ILE A 53 1.336 0.728 -7.254 1.00 0.00 C ATOM 818 O ILE A 53 1.471 1.052 -6.076 1.00 0.00 O ATOM 819 CB ILE A 53 -0.834 0.919 -8.494 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.729 1.847 -9.321 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.531 0.524 -7.198 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.050 1.225 -9.722 1.00 0.00 C ATOM 0 H ILE A 53 0.801 1.514 -10.281 1.00 0.00 H new ATOM 0 HA ILE A 53 0.342 2.566 -7.732 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.645 0.012 -9.068 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.924 2.754 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.192 2.148 -10.221 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.484 0.047 -7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.901 -0.172 -6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.708 1.414 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.628 1.942 -10.305 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.865 0.334 -10.323 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.609 0.950 -8.828 1.00 0.00 H new ATOM 834 N TRP A 54 1.885 -0.366 -7.770 1.00 0.00 N ATOM 835 CA TRP A 54 2.694 -1.268 -6.958 1.00 0.00 C ATOM 836 C TRP A 54 3.889 -0.529 -6.378 1.00 0.00 C ATOM 837 O TRP A 54 4.184 -0.637 -5.191 1.00 0.00 O ATOM 838 CB TRP A 54 3.186 -2.452 -7.792 1.00 0.00 C ATOM 839 CG TRP A 54 4.040 -3.405 -7.009 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.385 -3.315 -6.796 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.606 -4.589 -6.334 1.00 0.00 C ATOM 842 NE1 TRP A 54 5.811 -4.361 -6.017 1.00 0.00 N ATOM 843 CE2 TRP A 54 4.737 -5.161 -5.722 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.370 -5.219 -6.183 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.667 -6.331 -4.973 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.302 -6.381 -5.439 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.444 -6.924 -4.842 1.00 0.00 C ATOM 0 H TRP A 54 1.785 -0.649 -8.745 1.00 0.00 H new ATOM 0 HA TRP A 54 2.070 -1.641 -6.146 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.326 -2.989 -8.194 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.755 -2.078 -8.643 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.022 -2.534 -7.184 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.770 -4.518 -5.708 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.483 -4.806 -6.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.547 -6.755 -4.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.351 -6.878 -5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.357 -7.832 -4.265 1.00 0.00 H new ATOM 858 N ASN A 55 4.565 0.224 -7.231 1.00 0.00 N ATOM 859 CA ASN A 55 5.743 0.981 -6.824 1.00 0.00 C ATOM 860 C ASN A 55 5.383 1.983 -5.725 1.00 0.00 C ATOM 861 O ASN A 55 6.194 2.286 -4.852 1.00 0.00 O ATOM 862 CB ASN A 55 6.335 1.709 -8.033 1.00 0.00 C ATOM 863 CG ASN A 55 7.691 2.336 -7.761 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.018 3.383 -8.319 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.499 1.699 -6.926 1.00 0.00 N ATOM 0 H ASN A 55 4.318 0.329 -8.215 1.00 0.00 H new ATOM 0 HA ASN A 55 6.486 0.289 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.429 1.005 -8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.642 2.487 -8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.426 2.075 -6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.194 0.833 -6.482 1.00 0.00 H new ATOM 872 N LEU A 56 4.164 2.501 -5.792 1.00 0.00 N ATOM 873 CA LEU A 56 3.641 3.403 -4.774 1.00 0.00 C ATOM 874 C LEU A 56 3.273 2.650 -3.491 1.00 0.00 C ATOM 875 O LEU A 56 3.510 3.139 -2.387 1.00 0.00 O ATOM 876 CB LEU A 56 2.417 4.150 -5.319 1.00 0.00 C ATOM 877 CG LEU A 56 2.723 5.287 -6.295 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.435 5.845 -6.879 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.508 6.385 -5.595 1.00 0.00 C ATOM 0 H LEU A 56 3.511 2.309 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 56 4.423 4.121 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.766 3.431 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.857 4.557 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 56 3.329 4.892 -7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.670 6.653 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.904 5.055 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.807 6.227 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.719 7.188 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.922 6.777 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.446 5.978 -5.218 1.00 0.00 H new ATOM 891 N SER A 57 2.697 1.463 -3.645 1.00 0.00 N ATOM 892 CA SER A 57 2.190 0.699 -2.509 1.00 0.00 C ATOM 893 C SER A 57 3.309 -0.001 -1.738 1.00 0.00 C ATOM 894 O SER A 57 3.269 -0.081 -0.512 1.00 0.00 O ATOM 895 CB SER A 57 1.157 -0.323 -2.988 1.00 0.00 C ATOM 896 OG SER A 57 1.699 -1.192 -3.971 1.00 0.00 O ATOM 0 H SER A 57 2.569 1.007 -4.548 1.00 0.00 H new ATOM 0 HA SER A 57 1.718 1.403 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.803 -0.908 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.292 0.198 -3.399 1.00 0.00 H new ATOM 0 HG SER A 57 2.588 -0.875 -4.234 1.00 0.00 H new ATOM 902 N ASP A 58 4.298 -0.503 -2.465 1.00 0.00 N ATOM 903 CA ASP A 58 5.417 -1.219 -1.858 1.00 0.00 C ATOM 904 C ASP A 58 6.299 -0.266 -1.064 1.00 0.00 C ATOM 905 O ASP A 58 6.957 0.614 -1.632 1.00 0.00 O ATOM 906 CB ASP A 58 6.239 -1.934 -2.939 1.00 0.00 C ATOM 907 CG ASP A 58 7.574 -2.452 -2.427 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.601 -3.112 -1.367 1.00 0.00 O ATOM 909 OD2 ASP A 58 8.606 -2.192 -3.093 1.00 0.00 O ATOM 0 H ASP A 58 4.350 -0.428 -3.481 1.00 0.00 H new ATOM 0 HA ASP A 58 5.017 -1.965 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.660 -2.768 -3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.416 -1.247 -3.767 1.00 0.00 H new ATOM 914 N ILE A 59 6.297 -0.420 0.250 1.00 0.00 N ATOM 915 CA ILE A 59 7.085 0.444 1.111 1.00 0.00 C ATOM 916 C ILE A 59 8.278 -0.289 1.713 1.00 0.00 C ATOM 917 O ILE A 59 9.417 0.165 1.597 1.00 0.00 O ATOM 918 CB ILE A 59 6.229 1.024 2.260 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.001 1.754 1.707 1.00 0.00 C ATOM 920 CG2 ILE A 59 7.056 1.960 3.132 1.00 0.00 C ATOM 921 CD1 ILE A 59 5.330 2.964 0.855 1.00 0.00 C ATOM 0 H ILE A 59 5.760 -1.134 0.742 1.00 0.00 H new ATOM 0 HA ILE A 59 7.448 1.255 0.480 1.00 0.00 H new ATOM 0 HB ILE A 59 5.887 0.193 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.413 1.054 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.374 2.070 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.433 2.356 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.894 1.411 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.434 2.783 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.406 3.423 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.891 3.686 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.930 2.654 -0.001 1.00 0.00 H new ATOM 933 N ASP A 60 8.018 -1.426 2.340 1.00 0.00 N ATOM 934 CA ASP A 60 9.015 -2.064 3.195 1.00 0.00 C ATOM 935 C ASP A 60 9.460 -3.429 2.672 1.00 0.00 C ATOM 936 O ASP A 60 10.558 -3.893 2.986 1.00 0.00 O ATOM 937 CB ASP A 60 8.440 -2.203 4.614 1.00 0.00 C ATOM 938 CG ASP A 60 9.350 -2.947 5.577 1.00 0.00 C ATOM 939 OD1 ASP A 60 10.213 -2.306 6.217 1.00 0.00 O ATOM 940 OD2 ASP A 60 9.178 -4.176 5.733 1.00 0.00 O ATOM 0 H ASP A 60 7.131 -1.926 2.276 1.00 0.00 H new ATOM 0 HA ASP A 60 9.902 -1.430 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.240 -1.209 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.483 -2.723 4.559 1.00 0.00 H new ATOM 945 N GLN A 61 8.634 -4.068 1.856 1.00 0.00 N ATOM 946 CA GLN A 61 8.843 -5.484 1.559 1.00 0.00 C ATOM 947 C GLN A 61 9.597 -5.731 0.255 1.00 0.00 C ATOM 948 O GLN A 61 10.174 -6.806 0.075 1.00 0.00 O ATOM 949 CB GLN A 61 7.511 -6.223 1.571 1.00 0.00 C ATOM 950 CG GLN A 61 6.822 -6.158 2.924 1.00 0.00 C ATOM 951 CD GLN A 61 5.609 -7.050 3.009 1.00 0.00 C ATOM 952 OE1 GLN A 61 5.699 -8.210 3.414 1.00 0.00 O ATOM 953 NE2 GLN A 61 4.465 -6.521 2.630 1.00 0.00 N ATOM 0 H GLN A 61 7.829 -3.643 1.395 1.00 0.00 H new ATOM 0 HA GLN A 61 9.484 -5.878 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.855 -5.796 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.675 -7.266 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.531 -6.443 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.525 -5.129 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.434 -5.556 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.610 -7.076 2.666 1.00 0.00 H new ATOM 962 N ASP A 62 9.569 -4.761 -0.653 1.00 0.00 N ATOM 963 CA ASP A 62 10.340 -4.832 -1.902 1.00 0.00 C ATOM 964 C ASP A 62 9.790 -5.926 -2.820 1.00 0.00 C ATOM 965 O ASP A 62 10.421 -6.325 -3.801 1.00 0.00 O ATOM 966 CB ASP A 62 11.834 -5.062 -1.606 1.00 0.00 C ATOM 967 CG ASP A 62 12.707 -5.005 -2.847 1.00 0.00 C ATOM 968 OD1 ASP A 62 12.779 -3.933 -3.483 1.00 0.00 O ATOM 969 OD2 ASP A 62 13.331 -6.034 -3.193 1.00 0.00 O ATOM 0 H ASP A 62 9.018 -3.908 -0.551 1.00 0.00 H new ATOM 0 HA ASP A 62 10.240 -3.878 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.176 -4.311 -0.894 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.957 -6.034 -1.128 1.00 0.00 H new ATOM 974 N GLY A 63 8.602 -6.407 -2.509 1.00 0.00 N ATOM 975 CA GLY A 63 7.967 -7.382 -3.375 1.00 0.00 C ATOM 976 C GLY A 63 6.850 -8.141 -2.699 1.00 0.00 C ATOM 977 O GLY A 63 6.574 -9.289 -3.047 1.00 0.00 O ATOM 0 H GLY A 63 8.066 -6.146 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.572 -6.874 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.718 -8.090 -3.726 1.00 0.00 H new ATOM 981 N LYS A 64 6.208 -7.503 -1.733 1.00 0.00 N ATOM 982 CA LYS A 64 5.086 -8.095 -1.022 1.00 0.00 C ATOM 983 C LYS A 64 4.139 -6.981 -0.609 1.00 0.00 C ATOM 984 O LYS A 64 4.539 -5.820 -0.567 1.00 0.00 O ATOM 985 CB LYS A 64 5.542 -8.862 0.231 1.00 0.00 C ATOM 986 CG LYS A 64 6.595 -9.933 -0.018 1.00 0.00 C ATOM 987 CD LYS A 64 6.998 -10.617 1.280 1.00 0.00 C ATOM 988 CE LYS A 64 8.110 -11.635 1.070 1.00 0.00 C ATOM 989 NZ LYS A 64 9.389 -10.998 0.657 1.00 0.00 N ATOM 0 H LYS A 64 6.449 -6.563 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 64 4.593 -8.806 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.936 -8.147 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.671 -9.330 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.207 -10.673 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.472 -9.484 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.326 -9.866 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.129 -11.114 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.267 -12.194 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.803 -12.354 0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.154 -11.702 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.297 -10.632 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.611 -10.214 1.304 1.00 0.00 H new ATOM 1003 N LEU A 65 2.900 -7.327 -0.302 1.00 0.00 N ATOM 1004 CA LEU A 65 1.930 -6.336 0.150 1.00 0.00 C ATOM 1005 C LEU A 65 1.324 -6.741 1.482 1.00 0.00 C ATOM 1006 O LEU A 65 0.680 -7.783 1.588 1.00 0.00 O ATOM 1007 CB LEU A 65 0.817 -6.137 -0.887 1.00 0.00 C ATOM 1008 CG LEU A 65 1.216 -5.345 -2.136 1.00 0.00 C ATOM 1009 CD1 LEU A 65 -0.005 -5.052 -2.991 1.00 0.00 C ATOM 1010 CD2 LEU A 65 1.916 -4.049 -1.756 1.00 0.00 C ATOM 0 H LEU A 65 2.541 -8.280 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 65 2.461 -5.392 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.455 -7.117 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.018 -5.627 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 65 1.912 -5.953 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.296 -4.489 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.467 -5.990 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.721 -4.467 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.189 -3.505 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.246 -3.437 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.815 -4.276 -1.183 1.00 0.00 H new ATOM 1022 N THR A 66 1.555 -5.930 2.507 1.00 0.00 N ATOM 1023 CA THR A 66 0.889 -6.127 3.787 1.00 0.00 C ATOM 1024 C THR A 66 -0.561 -5.679 3.679 1.00 0.00 C ATOM 1025 O THR A 66 -1.015 -5.301 2.600 1.00 0.00 O ATOM 1026 CB THR A 66 1.570 -5.341 4.921 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.768 -3.981 4.521 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.901 -5.961 5.313 1.00 0.00 C ATOM 0 H THR A 66 2.194 -5.135 2.477 1.00 0.00 H new ATOM 0 HA THR A 66 0.949 -7.188 4.027 1.00 0.00 H new ATOM 0 HB THR A 66 0.914 -5.377 5.791 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.545 -3.925 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.351 -5.378 6.116 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.740 -6.984 5.653 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.568 -5.966 4.451 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.291 -5.711 4.781 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.667 -5.254 4.769 1.00 0.00 C ATOM 1038 C ALA A 67 -2.709 -3.754 4.529 1.00 0.00 C ATOM 1039 O ALA A 67 -3.525 -3.258 3.756 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.365 -5.619 6.067 1.00 0.00 C ATOM 0 H ALA A 67 -0.957 -6.045 5.685 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.198 -5.751 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.396 -5.267 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.355 -6.702 6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.846 -5.151 6.903 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.795 -3.051 5.179 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.682 -1.610 5.050 1.00 0.00 C ATOM 1048 C GLU A 68 -1.301 -1.222 3.622 1.00 0.00 C ATOM 1049 O GLU A 68 -1.865 -0.287 3.049 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.637 -1.071 6.035 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.011 -1.228 7.508 1.00 0.00 C ATOM 1052 CD GLU A 68 -1.035 -2.670 7.987 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -0.361 -3.526 7.374 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -1.720 -2.952 8.992 1.00 0.00 O ATOM 0 H GLU A 68 -1.110 -3.466 5.811 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.652 -1.169 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.309 -1.583 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.471 -0.014 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.301 -0.666 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.993 -0.784 7.673 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.359 -1.958 3.042 1.00 0.00 N ATOM 1062 CA GLU A 69 0.125 -1.650 1.699 1.00 0.00 C ATOM 1063 C GLU A 69 -0.926 -2.028 0.655 1.00 0.00 C ATOM 1064 O GLU A 69 -1.069 -1.363 -0.372 1.00 0.00 O ATOM 1065 CB GLU A 69 1.445 -2.378 1.422 1.00 0.00 C ATOM 1066 CG GLU A 69 2.607 -1.883 2.277 1.00 0.00 C ATOM 1067 CD GLU A 69 3.809 -2.805 2.219 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.654 -3.992 2.587 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.911 -2.349 1.832 1.00 0.00 O ATOM 0 H GLU A 69 0.083 -2.768 3.477 1.00 0.00 H new ATOM 0 HA GLU A 69 0.306 -0.577 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.305 -3.445 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.702 -2.258 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.901 -0.888 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.277 -1.787 3.311 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.673 -3.087 0.941 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.733 -3.549 0.055 1.00 0.00 C ATOM 1078 C PHE A 70 -3.861 -2.514 -0.021 1.00 0.00 C ATOM 1079 O PHE A 70 -4.348 -2.192 -1.107 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.274 -4.898 0.548 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.173 -5.603 -0.431 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.430 -5.106 -0.718 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.766 -6.776 -1.050 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.259 -5.751 -1.604 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.601 -7.434 -1.936 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.853 -6.920 -2.211 1.00 0.00 C ATOM 0 H PHE A 70 -1.562 -3.646 1.787 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.322 -3.678 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.432 -5.549 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.823 -4.738 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.766 -4.198 -0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.787 -7.180 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.233 -5.340 -1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.274 -8.347 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.511 -7.431 -2.898 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.266 -1.991 1.137 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.318 -0.975 1.197 1.00 0.00 C ATOM 1098 C ILE A 71 -4.940 0.236 0.350 1.00 0.00 C ATOM 1099 O ILE A 71 -5.753 0.755 -0.418 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.590 -0.517 2.650 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.121 -1.682 3.487 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.580 0.640 2.674 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.339 -1.334 4.945 1.00 0.00 C ATOM 0 H ILE A 71 -3.882 -2.254 2.045 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.227 -1.430 0.803 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.649 -0.176 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.063 -2.025 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.420 -2.514 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.757 0.946 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.172 1.480 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.521 0.323 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.716 -2.208 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.395 -1.019 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.064 -0.523 5.021 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.694 0.669 0.488 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.176 1.777 -0.300 1.00 0.00 C ATOM 1117 C LEU A 72 -3.234 1.446 -1.788 1.00 0.00 C ATOM 1118 O LEU A 72 -3.681 2.259 -2.596 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.738 2.097 0.118 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.054 3.220 -0.668 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.808 4.532 -0.500 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.392 3.370 -0.220 1.00 0.00 C ATOM 0 H LEU A 72 -3.022 0.267 1.141 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.797 2.654 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.737 2.365 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.140 1.191 0.018 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.064 2.958 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.305 5.316 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.827 4.416 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.832 4.805 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.867 4.171 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.421 3.610 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.926 2.436 -0.395 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.805 0.236 -2.131 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.786 -0.215 -3.518 1.00 0.00 C ATOM 1136 C ALA A 73 -4.174 -0.162 -4.149 1.00 0.00 C ATOM 1137 O ALA A 73 -4.354 0.437 -5.208 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.217 -1.624 -3.608 1.00 0.00 C ATOM 0 H ALA A 73 -2.464 -0.454 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.144 0.465 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.209 -1.947 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.199 -1.631 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.835 -2.304 -3.022 1.00 0.00 H new ATOM 1144 N MET A 74 -5.160 -0.768 -3.495 1.00 0.00 N ATOM 1145 CA MET A 74 -6.511 -0.804 -4.048 1.00 0.00 C ATOM 1146 C MET A 74 -7.149 0.574 -4.070 1.00 0.00 C ATOM 1147 O MET A 74 -8.009 0.844 -4.904 1.00 0.00 O ATOM 1148 CB MET A 74 -7.411 -1.782 -3.296 1.00 0.00 C ATOM 1149 CG MET A 74 -7.199 -3.228 -3.701 1.00 0.00 C ATOM 1150 SD MET A 74 -8.616 -4.273 -3.307 1.00 0.00 S ATOM 1151 CE MET A 74 -9.848 -3.621 -4.434 1.00 0.00 C ATOM 0 H MET A 74 -5.053 -1.235 -2.594 1.00 0.00 H new ATOM 0 HA MET A 74 -6.410 -1.154 -5.075 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.230 -1.682 -2.226 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.453 -1.513 -3.470 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.003 -3.277 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.314 -3.617 -3.197 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.666 -3.181 -3.864 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.395 -2.858 -5.067 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.234 -4.427 -5.058 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.734 1.455 -3.169 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.240 2.821 -3.189 1.00 0.00 C ATOM 1163 C HIS A 75 -6.701 3.552 -4.414 1.00 0.00 C ATOM 1164 O HIS A 75 -7.406 4.345 -5.033 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.877 3.585 -1.911 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.397 4.996 -1.891 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.738 5.308 -1.963 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.746 6.182 -1.820 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.888 6.618 -1.937 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.696 7.174 -1.850 1.00 0.00 N ATOM 0 H HIS A 75 -6.062 1.254 -2.429 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.328 2.774 -3.240 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.274 3.047 -1.050 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.792 3.604 -1.803 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.677 6.322 -1.752 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.829 7.146 -1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -7.510 8.176 -1.811 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.452 3.273 -4.760 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.858 3.818 -5.972 1.00 0.00 C ATOM 1181 C LEU A 76 -5.549 3.222 -7.193 1.00 0.00 C ATOM 1182 O LEU A 76 -5.777 3.903 -8.192 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.358 3.525 -6.008 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.550 4.126 -4.854 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.109 3.656 -4.913 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.610 5.645 -4.894 1.00 0.00 C ATOM 0 H LEU A 76 -4.831 2.672 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.993 4.900 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.215 2.444 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.953 3.900 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.989 3.786 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.550 4.093 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.077 2.569 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.663 3.968 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.030 6.054 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.196 6.001 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.647 5.971 -4.807 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.886 1.942 -7.088 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.641 1.249 -8.125 1.00 0.00 C ATOM 1200 C ILE A 77 -8.013 1.886 -8.314 1.00 0.00 C ATOM 1201 O ILE A 77 -8.437 2.127 -9.436 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.813 -0.248 -7.787 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.466 -0.967 -7.879 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -7.838 -0.902 -8.704 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -5.538 -2.436 -7.524 1.00 0.00 C ATOM 0 H ILE A 77 -5.645 1.358 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.074 1.337 -9.052 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.183 -0.329 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.078 -0.865 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.755 -0.476 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -7.939 -1.956 -8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.801 -0.405 -8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.509 -0.814 -9.739 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.547 -2.880 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.896 -2.546 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.223 -2.942 -8.204 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.694 2.153 -7.209 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.018 2.778 -7.234 1.00 0.00 C ATOM 1219 C ASP A 78 -9.976 4.120 -7.964 1.00 0.00 C ATOM 1220 O ASP A 78 -10.891 4.467 -8.713 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.521 2.962 -5.799 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.895 3.597 -5.715 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.865 3.012 -6.243 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -12.017 4.668 -5.083 1.00 0.00 O ATOM 0 H ASP A 78 -8.350 1.945 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.705 2.128 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.548 1.991 -5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.810 3.580 -5.250 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.895 4.859 -7.748 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.680 6.136 -8.419 1.00 0.00 C ATOM 1231 C VAL A 79 -8.379 5.926 -9.907 1.00 0.00 C ATOM 1232 O VAL A 79 -8.943 6.604 -10.771 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.518 6.911 -7.747 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -7.219 8.202 -8.484 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.840 7.199 -6.287 1.00 0.00 C ATOM 0 H VAL A 79 -8.147 4.593 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.594 6.723 -8.331 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.629 6.282 -7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.400 8.723 -7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.937 7.977 -9.512 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.106 8.836 -8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.012 7.744 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.747 7.800 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.991 6.259 -5.756 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.504 4.972 -10.201 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.137 4.663 -11.578 1.00 0.00 C ATOM 1247 C ALA A 80 -8.325 4.098 -12.351 1.00 0.00 C ATOM 1248 O ALA A 80 -8.473 4.346 -13.546 1.00 0.00 O ATOM 1249 CB ALA A 80 -5.967 3.690 -11.607 1.00 0.00 C ATOM 0 H ALA A 80 -7.034 4.397 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.833 5.590 -12.064 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.704 3.468 -12.641 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.110 4.136 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.248 2.768 -11.098 1.00 0.00 H new ATOM 1255 N MET A 81 -9.165 3.343 -11.654 1.00 0.00 N ATOM 1256 CA MET A 81 -10.370 2.768 -12.216 1.00 0.00 C ATOM 1257 C MET A 81 -11.276 3.858 -12.783 1.00 0.00 C ATOM 1258 O MET A 81 -11.868 3.702 -13.851 1.00 0.00 O ATOM 1259 CB MET A 81 -11.080 2.006 -11.102 1.00 0.00 C ATOM 1260 CG MET A 81 -11.828 0.776 -11.549 1.00 0.00 C ATOM 1261 SD MET A 81 -13.391 1.157 -12.373 1.00 0.00 S ATOM 1262 CE MET A 81 -14.065 -0.491 -12.582 1.00 0.00 C ATOM 0 H MET A 81 -9.022 3.113 -10.671 1.00 0.00 H new ATOM 0 HA MET A 81 -10.120 2.096 -13.037 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.342 1.713 -10.355 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.781 2.681 -10.610 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.197 0.201 -12.227 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.025 0.143 -10.684 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.033 -0.428 -13.079 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.384 -1.088 -13.189 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.188 -0.960 -11.606 1.00 0.00 H new ATOM 1272 N SER A 82 -11.364 4.966 -12.060 1.00 0.00 N ATOM 1273 CA SER A 82 -12.164 6.102 -12.482 1.00 0.00 C ATOM 1274 C SER A 82 -11.571 6.757 -13.725 1.00 0.00 C ATOM 1275 O SER A 82 -12.296 7.303 -14.559 1.00 0.00 O ATOM 1276 CB SER A 82 -12.250 7.113 -11.339 1.00 0.00 C ATOM 1277 OG SER A 82 -12.773 6.504 -10.175 1.00 0.00 O ATOM 0 H SER A 82 -10.885 5.100 -11.170 1.00 0.00 H new ATOM 0 HA SER A 82 -13.165 5.752 -12.735 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.260 7.519 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.883 7.950 -11.634 1.00 0.00 H new ATOM 0 HG SER A 82 -12.108 5.889 -9.801 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.258 6.671 -13.860 1.00 0.00 N ATOM 1284 CA GLY A 83 -9.583 7.316 -14.963 1.00 0.00 C ATOM 1285 C GLY A 83 -8.771 8.503 -14.498 1.00 0.00 C ATOM 1286 O GLY A 83 -8.262 9.280 -15.308 1.00 0.00 O ATOM 0 H GLY A 83 -9.646 6.163 -13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.930 6.599 -15.460 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.317 7.642 -15.700 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.655 8.641 -13.186 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.897 9.725 -12.591 1.00 0.00 C ATOM 1292 C GLN A 84 -6.400 9.457 -12.701 1.00 0.00 C ATOM 1293 O GLN A 84 -5.962 8.306 -12.630 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.289 9.890 -11.124 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.697 10.416 -10.915 1.00 0.00 C ATOM 1296 CD GLN A 84 -9.835 11.872 -11.309 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.139 12.194 -12.458 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -9.610 12.762 -10.355 1.00 0.00 N ATOM 0 H GLN A 84 -9.082 8.008 -12.510 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.125 10.644 -13.130 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.194 8.927 -10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.584 10.569 -10.645 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.396 9.817 -11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.974 10.298 -9.867 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.360 12.451 -9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.686 13.758 -10.559 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.602 10.516 -12.894 1.00 0.00 N ATOM 1308 CA PRO A 85 -4.148 10.404 -12.984 1.00 0.00 C ATOM 1309 C PRO A 85 -3.523 10.018 -11.649 1.00 0.00 C ATOM 1310 O PRO A 85 -3.929 10.509 -10.593 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.690 11.812 -13.400 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.929 12.523 -13.830 1.00 0.00 C ATOM 1313 CD PRO A 85 -6.049 11.905 -13.049 1.00 0.00 C ATOM 0 HA PRO A 85 -3.846 9.627 -13.686 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.209 12.329 -12.570 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.963 11.765 -14.211 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.856 13.592 -13.629 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.092 12.411 -14.902 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.190 12.395 -12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.998 11.969 -13.581 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.539 9.136 -11.703 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.832 8.708 -10.505 1.00 0.00 C ATOM 1323 C LEU A 86 -0.679 9.662 -10.215 1.00 0.00 C ATOM 1324 O LEU A 86 -0.062 10.182 -11.143 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.303 7.282 -10.688 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.370 6.224 -10.972 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -1.723 4.876 -11.245 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.346 6.122 -9.809 1.00 0.00 C ATOM 0 H LEU A 86 -2.210 8.701 -12.565 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.522 8.720 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.585 7.280 -11.508 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.760 6.995 -9.788 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.926 6.526 -11.860 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.497 4.135 -11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.065 4.957 -12.110 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.142 4.568 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.098 5.364 -10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.806 5.844 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.835 7.085 -9.659 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.381 9.918 -8.935 1.00 0.00 N ATOM 1341 CA PRO A 87 0.707 10.821 -8.553 1.00 0.00 C ATOM 1342 C PRO A 87 2.088 10.220 -8.820 1.00 0.00 C ATOM 1343 O PRO A 87 2.250 8.999 -8.852 1.00 0.00 O ATOM 1344 CB PRO A 87 0.496 11.016 -7.047 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.246 9.804 -6.597 1.00 0.00 C ATOM 1346 CD PRO A 87 -1.082 9.358 -7.765 1.00 0.00 C ATOM 0 HA PRO A 87 0.684 11.747 -9.127 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.448 11.111 -6.525 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.072 11.924 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.444 9.018 -6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.873 10.031 -5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.146 8.271 -7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.103 9.734 -7.693 1.00 0.00 H new ATOM 1354 N PRO A 88 3.100 11.074 -9.041 1.00 0.00 N ATOM 1355 CA PRO A 88 4.491 10.639 -9.165 1.00 0.00 C ATOM 1356 C PRO A 88 5.099 10.373 -7.793 1.00 0.00 C ATOM 1357 O PRO A 88 5.892 9.446 -7.607 1.00 0.00 O ATOM 1358 CB PRO A 88 5.191 11.828 -9.845 1.00 0.00 C ATOM 1359 CG PRO A 88 4.114 12.823 -10.154 1.00 0.00 C ATOM 1360 CD PRO A 88 2.972 12.520 -9.228 1.00 0.00 C ATOM 0 HA PRO A 88 4.591 9.711 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.946 12.262 -9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.702 11.511 -10.754 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.473 13.841 -10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.800 12.744 -11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.057 13.061 -8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.011 12.790 -9.665 1.00 0.00 H new ATOM 1368 N VAL A 89 4.700 11.192 -6.832 1.00 0.00 N ATOM 1369 CA VAL A 89 5.153 11.059 -5.456 1.00 0.00 C ATOM 1370 C VAL A 89 3.983 10.689 -4.567 1.00 0.00 C ATOM 1371 O VAL A 89 2.826 10.859 -4.956 1.00 0.00 O ATOM 1372 CB VAL A 89 5.790 12.364 -4.922 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.046 12.713 -5.700 1.00 0.00 C ATOM 1374 CG2 VAL A 89 4.795 13.517 -4.976 1.00 0.00 C ATOM 0 H VAL A 89 4.054 11.967 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 89 5.913 10.278 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 89 6.067 12.197 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.474 13.634 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.771 11.905 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.796 12.851 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.267 14.423 -4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.480 13.678 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.926 13.276 -4.364 1.00 0.00 H new ATOM 1384 N LEU A 90 4.270 10.178 -3.385 1.00 0.00 N ATOM 1385 CA LEU A 90 3.214 9.873 -2.442 1.00 0.00 C ATOM 1386 C LEU A 90 3.403 10.694 -1.171 1.00 0.00 C ATOM 1387 O LEU A 90 4.525 10.855 -0.687 1.00 0.00 O ATOM 1388 CB LEU A 90 3.238 8.376 -2.118 1.00 0.00 C ATOM 1389 CG LEU A 90 1.972 7.817 -1.467 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.819 7.805 -2.461 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.227 6.418 -0.927 1.00 0.00 C ATOM 0 H LEU A 90 5.213 9.968 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 90 2.249 10.127 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.423 7.826 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.082 8.180 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 90 1.698 8.464 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.073 7.404 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.621 8.821 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.082 7.181 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.317 6.034 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.525 5.761 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.022 6.455 -0.182 1.00 0.00 H new ATOM 1403 N PRO A 91 2.307 11.222 -0.614 1.00 0.00 N ATOM 1404 CA PRO A 91 2.328 11.965 0.644 1.00 0.00 C ATOM 1405 C PRO A 91 2.285 11.044 1.865 1.00 0.00 C ATOM 1406 O PRO A 91 1.761 9.931 1.794 1.00 0.00 O ATOM 1407 CB PRO A 91 1.053 12.825 0.575 1.00 0.00 C ATOM 1408 CG PRO A 91 0.438 12.549 -0.763 1.00 0.00 C ATOM 1409 CD PRO A 91 0.968 11.216 -1.198 1.00 0.00 C ATOM 0 HA PRO A 91 3.244 12.545 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.365 12.568 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.290 13.883 0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.650 12.533 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.701 13.326 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.361 10.392 -0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.996 11.121 -2.284 1.00 0.00 H new ATOM 1417 N PRO A 92 2.821 11.507 3.007 1.00 0.00 N ATOM 1418 CA PRO A 92 2.881 10.720 4.250 1.00 0.00 C ATOM 1419 C PRO A 92 1.505 10.410 4.841 1.00 0.00 C ATOM 1420 O PRO A 92 1.386 9.582 5.741 1.00 0.00 O ATOM 1421 CB PRO A 92 3.678 11.610 5.211 1.00 0.00 C ATOM 1422 CG PRO A 92 4.361 12.609 4.343 1.00 0.00 C ATOM 1423 CD PRO A 92 3.444 12.828 3.178 1.00 0.00 C ATOM 0 HA PRO A 92 3.331 9.744 4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.022 12.098 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.400 11.026 5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.538 13.540 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.333 12.242 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.704 13.601 3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.989 13.138 2.286 1.00 0.00 H new ATOM 1431 N GLU A 93 0.476 11.091 4.348 1.00 0.00 N ATOM 1432 CA GLU A 93 -0.896 10.816 4.770 1.00 0.00 C ATOM 1433 C GLU A 93 -1.490 9.661 3.969 1.00 0.00 C ATOM 1434 O GLU A 93 -2.534 9.116 4.325 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.778 12.060 4.634 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.764 12.962 5.862 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.385 13.481 6.209 1.00 0.00 C ATOM 1438 OE1 GLU A 93 0.353 12.785 6.934 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -0.034 14.593 5.767 1.00 0.00 O ATOM 0 H GLU A 93 0.564 11.836 3.657 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.865 10.532 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.448 12.635 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.803 11.747 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.430 13.808 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.162 12.410 6.714 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.835 9.309 2.870 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.219 8.135 2.097 1.00 0.00 C ATOM 1448 C TYR A 94 -0.379 6.943 2.525 1.00 0.00 C ATOM 1449 O TYR A 94 -0.795 5.795 2.388 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.055 8.378 0.595 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.187 9.159 -0.036 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -2.196 10.548 -0.029 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.246 8.501 -0.649 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -3.225 11.259 -0.616 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.280 9.205 -1.238 1.00 0.00 C ATOM 1456 CZ TYR A 94 -4.264 10.584 -1.218 1.00 0.00 C ATOM 1457 OH TYR A 94 -5.289 11.290 -1.805 1.00 0.00 O ATOM 0 H TYR A 94 -0.036 9.819 2.494 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.272 7.930 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.121 8.913 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.967 7.416 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.385 11.081 0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.262 7.421 -0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.215 12.339 -0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.096 8.678 -1.711 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.941 10.665 -2.185 1.00 0.00 H new ATOM 1467 N ILE A 95 0.803 7.232 3.048 1.00 0.00 N ATOM 1468 CA ILE A 95 1.690 6.201 3.558 1.00 0.00 C ATOM 1469 C ILE A 95 1.119 5.622 4.851 1.00 0.00 C ATOM 1470 O ILE A 95 0.738 6.370 5.751 1.00 0.00 O ATOM 1471 CB ILE A 95 3.109 6.760 3.812 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.678 7.358 2.522 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.031 5.671 4.345 1.00 0.00 C ATOM 1474 CD1 ILE A 95 5.032 8.017 2.695 1.00 0.00 C ATOM 0 H ILE A 95 1.171 8.180 3.130 1.00 0.00 H new ATOM 0 HA ILE A 95 1.766 5.414 2.808 1.00 0.00 H new ATOM 0 HB ILE A 95 3.041 7.546 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.762 6.570 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.974 8.094 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.024 6.087 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.633 5.284 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.097 4.862 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.367 8.416 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.952 8.829 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.752 7.281 3.054 1.00 0.00 H new ATOM 1486 N PRO A 96 1.028 4.284 4.944 1.00 0.00 N ATOM 1487 CA PRO A 96 0.467 3.604 6.117 1.00 0.00 C ATOM 1488 C PRO A 96 1.167 3.992 7.422 1.00 0.00 C ATOM 1489 O PRO A 96 2.345 4.370 7.423 1.00 0.00 O ATOM 1490 CB PRO A 96 0.698 2.121 5.812 1.00 0.00 C ATOM 1491 CG PRO A 96 0.813 2.045 4.330 1.00 0.00 C ATOM 1492 CD PRO A 96 1.454 3.332 3.905 1.00 0.00 C ATOM 0 HA PRO A 96 -0.579 3.869 6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.603 1.755 6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.128 1.510 6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.416 1.189 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.166 1.924 3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.540 3.245 3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.118 3.641 2.915 1.00 0.00 H new ATOM 1500 N PRO A 97 0.448 3.892 8.555 1.00 0.00 N ATOM 1501 CA PRO A 97 0.993 4.218 9.878 1.00 0.00 C ATOM 1502 C PRO A 97 2.268 3.441 10.178 1.00 0.00 C ATOM 1503 O PRO A 97 2.454 2.331 9.679 1.00 0.00 O ATOM 1504 CB PRO A 97 -0.124 3.804 10.839 1.00 0.00 C ATOM 1505 CG PRO A 97 -1.365 3.862 10.018 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.958 3.459 8.630 1.00 0.00 C ATOM 0 HA PRO A 97 1.270 5.269 9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.044 2.802 11.234 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.182 4.478 11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.127 3.189 10.413 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.791 4.865 10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.058 2.384 8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.571 3.947 7.872 1.00 0.00 H new ATOM 1514 N SER A 98 3.145 4.048 10.978 1.00 0.00 N ATOM 1515 CA SER A 98 4.440 3.466 11.348 1.00 0.00 C ATOM 1516 C SER A 98 5.446 3.554 10.196 1.00 0.00 C ATOM 1517 O SER A 98 6.652 3.638 10.428 1.00 0.00 O ATOM 1518 CB SER A 98 4.284 2.015 11.821 1.00 0.00 C ATOM 1519 OG SER A 98 3.353 1.927 12.891 1.00 0.00 O ATOM 0 H SER A 98 2.977 4.965 11.392 1.00 0.00 H new ATOM 0 HA SER A 98 4.831 4.053 12.179 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.950 1.392 10.991 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.251 1.627 12.142 1.00 0.00 H new ATOM 0 HG SER A 98 3.268 0.993 13.175 1.00 0.00 H new ATOM 1525 N PHE A 99 4.950 3.555 8.962 1.00 0.00 N ATOM 1526 CA PHE A 99 5.806 3.674 7.789 1.00 0.00 C ATOM 1527 C PHE A 99 5.964 5.138 7.392 1.00 0.00 C ATOM 1528 O PHE A 99 6.863 5.486 6.626 1.00 0.00 O ATOM 1529 CB PHE A 99 5.228 2.872 6.618 1.00 0.00 C ATOM 1530 CG PHE A 99 5.116 1.397 6.888 1.00 0.00 C ATOM 1531 CD1 PHE A 99 6.228 0.575 6.793 1.00 0.00 C ATOM 1532 CD2 PHE A 99 3.899 0.834 7.230 1.00 0.00 C ATOM 1533 CE1 PHE A 99 6.126 -0.782 7.036 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.791 -0.521 7.475 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.905 -1.331 7.378 1.00 0.00 C ATOM 0 H PHE A 99 3.956 3.474 8.750 1.00 0.00 H new ATOM 0 HA PHE A 99 6.787 3.270 8.039 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.240 3.263 6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.856 3.024 5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.185 0.999 6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.023 1.462 7.306 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.000 -1.412 6.959 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.835 -0.947 7.742 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.822 -2.391 7.569 1.00 0.00 H new ATOM 1545 N ARG A 100 5.087 5.991 7.932 1.00 0.00 N ATOM 1546 CA ARG A 100 5.098 7.426 7.632 1.00 0.00 C ATOM 1547 C ARG A 100 6.461 8.028 7.969 1.00 0.00 C ATOM 1548 O ARG A 100 6.992 8.851 7.224 1.00 0.00 O ATOM 1549 CB ARG A 100 3.978 8.132 8.408 1.00 0.00 C ATOM 1550 CG ARG A 100 2.614 7.492 8.187 1.00 0.00 C ATOM 1551 CD ARG A 100 1.556 8.055 9.123 1.00 0.00 C ATOM 1552 NE ARG A 100 1.007 9.333 8.664 1.00 0.00 N ATOM 1553 CZ ARG A 100 0.108 10.039 9.354 1.00 0.00 C ATOM 1554 NH1 ARG A 100 -0.282 9.619 10.554 1.00 0.00 N ATOM 1555 NH2 ARG A 100 -0.391 11.165 8.858 1.00 0.00 N ATOM 0 H ARG A 100 4.355 5.709 8.584 1.00 0.00 H new ATOM 0 HA ARG A 100 4.921 7.569 6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.214 8.116 9.472 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.937 9.179 8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.304 7.650 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.692 6.415 8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.746 7.333 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.989 8.187 10.114 1.00 0.00 H new ATOM 0 HE ARG A 100 1.329 9.703 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.105 8.760 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.969 10.156 11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.088 11.497 7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.077 11.698 9.392 1.00 0.00 H new ATOM 1569 N ARG A 101 7.016 7.613 9.101 1.00 0.00 N ATOM 1570 CA ARG A 101 8.414 7.881 9.413 1.00 0.00 C ATOM 1571 C ARG A 101 9.029 6.643 10.064 1.00 0.00 C ATOM 1572 O ARG A 101 9.219 6.577 11.278 1.00 0.00 O ATOM 1573 CB ARG A 101 8.600 9.137 10.295 1.00 0.00 C ATOM 1574 CG ARG A 101 7.902 9.106 11.653 1.00 0.00 C ATOM 1575 CD ARG A 101 6.443 9.515 11.557 1.00 0.00 C ATOM 1576 NE ARG A 101 5.782 9.494 12.860 1.00 0.00 N ATOM 1577 CZ ARG A 101 4.694 10.202 13.156 1.00 0.00 C ATOM 1578 NH1 ARG A 101 4.211 11.088 12.292 1.00 0.00 N ATOM 1579 NH2 ARG A 101 4.108 10.047 14.334 1.00 0.00 N ATOM 0 H ARG A 101 6.518 7.088 9.820 1.00 0.00 H new ATOM 0 HA ARG A 101 8.934 8.098 8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.667 9.287 10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.238 10.003 9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.969 8.102 12.071 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.420 9.774 12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 101 6.374 10.516 11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.922 8.843 10.875 1.00 0.00 H new ATOM 0 HE ARG A 101 6.179 8.900 13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.674 11.230 11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.377 11.626 12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.491 9.387 15.011 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.274 10.588 14.564 1.00 0.00 H new ATOM 1593 N VAL A 102 9.316 5.640 9.241 1.00 0.00 N ATOM 1594 CA VAL A 102 9.787 4.350 9.740 1.00 0.00 C ATOM 1595 C VAL A 102 11.302 4.354 9.951 1.00 0.00 C ATOM 1596 O VAL A 102 11.888 3.350 10.356 1.00 0.00 O ATOM 1597 CB VAL A 102 9.379 3.206 8.776 1.00 0.00 C ATOM 1598 CG1 VAL A 102 10.173 3.269 7.478 1.00 0.00 C ATOM 1599 CG2 VAL A 102 9.530 1.841 9.435 1.00 0.00 C ATOM 0 H VAL A 102 9.231 5.694 8.226 1.00 0.00 H new ATOM 0 HA VAL A 102 9.313 4.177 10.706 1.00 0.00 H new ATOM 0 HB VAL A 102 8.325 3.346 8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.865 2.454 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.987 4.222 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.237 3.175 7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.235 1.063 8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.569 1.691 9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.893 1.791 10.318 1.00 0.00 H new ATOM 1609 N ARG A 103 11.905 5.516 9.724 1.00 0.00 N ATOM 1610 CA ARG A 103 13.346 5.714 9.887 1.00 0.00 C ATOM 1611 C ARG A 103 14.143 4.703 9.062 1.00 0.00 C ATOM 1612 O ARG A 103 14.378 3.573 9.494 1.00 0.00 O ATOM 1613 CB ARG A 103 13.728 5.624 11.368 1.00 0.00 C ATOM 1614 CG ARG A 103 15.184 5.949 11.651 1.00 0.00 C ATOM 1615 CD ARG A 103 15.482 5.866 13.136 1.00 0.00 C ATOM 1616 NE ARG A 103 16.858 6.244 13.446 1.00 0.00 N ATOM 1617 CZ ARG A 103 17.301 6.480 14.679 1.00 0.00 C ATOM 1618 NH1 ARG A 103 16.480 6.362 15.718 1.00 0.00 N ATOM 1619 NH2 ARG A 103 18.566 6.834 14.870 1.00 0.00 N ATOM 0 H ARG A 103 11.408 6.353 9.420 1.00 0.00 H new ATOM 0 HA ARG A 103 13.595 6.709 9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.097 6.306 11.938 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.515 4.617 11.727 1.00 0.00 H new ATOM 0 HG2 ARG A 103 15.827 5.256 11.108 1.00 0.00 H new ATOM 0 HG3 ARG A 103 15.414 6.950 11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.797 6.518 13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.299 4.850 13.485 1.00 0.00 H new ATOM 0 HE ARG A 103 17.518 6.332 12.673 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.508 6.090 15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.822 6.543 16.662 1.00 0.00 H new ATOM 0 HH21 ARG A 103 19.196 6.925 14.073 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.908 7.015 15.814 1.00 0.00 H new ATOM 1633 N LEU A 104 14.556 5.116 7.874 1.00 0.00 N ATOM 1634 CA LEU A 104 15.246 4.217 6.959 1.00 0.00 C ATOM 1635 C LEU A 104 16.717 4.074 7.322 1.00 0.00 C ATOM 1636 O LEU A 104 17.387 5.055 7.658 1.00 0.00 O ATOM 1637 CB LEU A 104 15.108 4.709 5.518 1.00 0.00 C ATOM 1638 CG LEU A 104 13.681 4.703 4.966 1.00 0.00 C ATOM 1639 CD1 LEU A 104 13.657 5.258 3.551 1.00 0.00 C ATOM 1640 CD2 LEU A 104 13.101 3.296 4.994 1.00 0.00 C ATOM 0 H LEU A 104 14.427 6.064 7.521 1.00 0.00 H new ATOM 0 HA LEU A 104 14.779 3.236 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.501 5.724 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.732 4.087 4.876 1.00 0.00 H new ATOM 0 HG LEU A 104 13.065 5.341 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.635 5.247 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.031 6.282 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.288 4.644 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.086 3.313 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.718 2.636 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.083 2.930 6.021 1.00 0.00 H new ATOM 1652 N GLU A 105 17.200 2.842 7.257 1.00 0.00 N ATOM 1653 CA GLU A 105 18.603 2.525 7.488 1.00 0.00 C ATOM 1654 C GLU A 105 18.986 1.284 6.695 1.00 0.00 C ATOM 1655 O GLU A 105 18.507 0.186 6.977 1.00 0.00 O ATOM 1656 CB GLU A 105 18.883 2.296 8.978 1.00 0.00 C ATOM 1657 CG GLU A 105 19.453 3.512 9.691 1.00 0.00 C ATOM 1658 CD GLU A 105 20.834 3.887 9.190 1.00 0.00 C ATOM 1659 OE1 GLU A 105 21.829 3.305 9.675 1.00 0.00 O ATOM 1660 OE2 GLU A 105 20.940 4.767 8.313 1.00 0.00 O ATOM 0 H GLU A 105 16.625 2.027 7.041 1.00 0.00 H new ATOM 0 HA GLU A 105 19.203 3.373 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.957 1.999 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.581 1.465 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.779 4.358 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.501 3.312 10.761 1.00 0.00 H new ATOM 1667 N HIS A 106 19.830 1.465 5.692 1.00 0.00 N ATOM 1668 CA HIS A 106 20.284 0.355 4.869 1.00 0.00 C ATOM 1669 C HIS A 106 21.693 0.629 4.349 1.00 0.00 C ATOM 1670 O HIS A 106 21.909 1.516 3.527 1.00 0.00 O ATOM 1671 CB HIS A 106 19.297 0.075 3.714 1.00 0.00 C ATOM 1672 CG HIS A 106 19.216 1.143 2.652 1.00 0.00 C ATOM 1673 ND1 HIS A 106 18.696 2.404 2.872 1.00 0.00 N ATOM 1674 CD2 HIS A 106 19.592 1.121 1.348 1.00 0.00 C ATOM 1675 CE1 HIS A 106 18.754 3.104 1.752 1.00 0.00 C ATOM 1676 NE2 HIS A 106 19.294 2.350 0.817 1.00 0.00 N ATOM 0 H HIS A 106 20.215 2.372 5.428 1.00 0.00 H new ATOM 0 HA HIS A 106 20.317 -0.543 5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.579 -0.864 3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 106 18.302 -0.068 4.137 1.00 0.00 H new ATOM 0 HD2 HIS A 106 20.042 0.290 0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 106 18.416 4.122 1.625 1.00 0.00 H new ATOM 0 HE2 HIS A 106 19.464 2.634 -0.148 1.00 0.00 H new ATOM 1685 N HIS A 107 22.657 -0.112 4.869 1.00 0.00 N ATOM 1686 CA HIS A 107 24.043 0.041 4.449 1.00 0.00 C ATOM 1687 C HIS A 107 24.421 -1.100 3.524 1.00 0.00 C ATOM 1688 O HIS A 107 25.139 -0.913 2.544 1.00 0.00 O ATOM 1689 CB HIS A 107 24.977 0.076 5.660 1.00 0.00 C ATOM 1690 CG HIS A 107 24.679 1.192 6.615 1.00 0.00 C ATOM 1691 ND1 HIS A 107 25.421 2.350 6.676 1.00 0.00 N ATOM 1692 CD2 HIS A 107 23.702 1.326 7.543 1.00 0.00 C ATOM 1693 CE1 HIS A 107 24.913 3.147 7.597 1.00 0.00 C ATOM 1694 NE2 HIS A 107 23.868 2.549 8.138 1.00 0.00 N ATOM 0 H HIS A 107 22.507 -0.826 5.582 1.00 0.00 H new ATOM 0 HA HIS A 107 24.147 0.986 3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 107 24.906 -0.874 6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 107 26.006 0.171 5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 107 22.934 0.602 7.772 1.00 0.00 H new ATOM 0 HE1 HIS A 107 25.289 4.124 7.863 1.00 0.00 H new ATOM 0 HE2 HIS A 107 23.281 2.934 8.878 1.00 0.00 H new ATOM 1703 N HIS A 108 23.925 -2.284 3.843 1.00 0.00 N ATOM 1704 CA HIS A 108 24.130 -3.444 2.997 1.00 0.00 C ATOM 1705 C HIS A 108 22.817 -4.201 2.849 1.00 0.00 C ATOM 1706 O HIS A 108 22.491 -5.059 3.668 1.00 0.00 O ATOM 1707 CB HIS A 108 25.218 -4.355 3.578 1.00 0.00 C ATOM 1708 CG HIS A 108 25.663 -5.438 2.641 1.00 0.00 C ATOM 1709 ND1 HIS A 108 25.463 -6.779 2.881 1.00 0.00 N ATOM 1710 CD2 HIS A 108 26.318 -5.364 1.459 1.00 0.00 C ATOM 1711 CE1 HIS A 108 25.976 -7.483 1.889 1.00 0.00 C ATOM 1712 NE2 HIS A 108 26.501 -6.649 1.012 1.00 0.00 N ATOM 0 H HIS A 108 23.377 -2.466 4.684 1.00 0.00 H new ATOM 0 HA HIS A 108 24.464 -3.113 2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 108 26.080 -3.747 3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 108 24.846 -4.811 4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 108 26.638 -4.461 0.960 1.00 0.00 H new ATOM 0 HE1 HIS A 108 25.967 -8.560 1.809 1.00 0.00 H new ATOM 0 HE2 HIS A 108 26.966 -6.915 0.144 1.00 0.00 H new ATOM 1721 N HIS A 109 22.047 -3.832 1.832 1.00 0.00 N ATOM 1722 CA HIS A 109 20.759 -4.461 1.553 1.00 0.00 C ATOM 1723 C HIS A 109 20.927 -5.954 1.281 1.00 0.00 C ATOM 1724 O HIS A 109 21.288 -6.350 0.174 1.00 0.00 O ATOM 1725 CB HIS A 109 20.097 -3.766 0.358 1.00 0.00 C ATOM 1726 CG HIS A 109 18.786 -4.358 -0.062 1.00 0.00 C ATOM 1727 ND1 HIS A 109 17.611 -4.164 0.630 1.00 0.00 N ATOM 1728 CD2 HIS A 109 18.467 -5.125 -1.129 1.00 0.00 C ATOM 1729 CE1 HIS A 109 16.629 -4.783 0.005 1.00 0.00 C ATOM 1730 NE2 HIS A 109 17.118 -5.374 -1.070 1.00 0.00 N ATOM 0 H HIS A 109 22.296 -3.090 1.178 1.00 0.00 H new ATOM 0 HA HIS A 109 20.119 -4.354 2.429 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.943 -2.716 0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.783 -3.797 -0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 109 19.149 -5.477 -1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 109 15.596 -4.803 0.320 1.00 0.00 H new ATOM 0 HE2 HIS A 109 16.583 -5.923 -1.743 1.00 0.00 H new ATOM 1739 N HIS A 110 20.657 -6.754 2.313 1.00 0.00 N ATOM 1740 CA HIS A 110 20.788 -8.215 2.279 1.00 0.00 C ATOM 1741 C HIS A 110 22.171 -8.650 1.784 1.00 0.00 C ATOM 1742 O HIS A 110 23.081 -8.867 2.584 1.00 0.00 O ATOM 1743 CB HIS A 110 19.677 -8.849 1.433 1.00 0.00 C ATOM 1744 CG HIS A 110 19.517 -10.324 1.655 1.00 0.00 C ATOM 1745 ND1 HIS A 110 18.761 -11.132 0.835 1.00 0.00 N ATOM 1746 CD2 HIS A 110 20.009 -11.136 2.623 1.00 0.00 C ATOM 1747 CE1 HIS A 110 18.794 -12.372 1.286 1.00 0.00 C ATOM 1748 NE2 HIS A 110 19.546 -12.402 2.371 1.00 0.00 N ATOM 0 H HIS A 110 20.335 -6.400 3.214 1.00 0.00 H new ATOM 0 HA HIS A 110 20.681 -8.574 3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.733 -8.352 1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.888 -8.670 0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 110 20.648 -10.840 3.442 1.00 0.00 H new ATOM 0 HE1 HIS A 110 18.291 -13.219 0.843 1.00 0.00 H new ATOM 0 HE2 HIS A 110 19.749 -13.231 2.930 1.00 0.00 H new ATOM 1757 N HIS A 111 22.325 -8.777 0.473 1.00 0.00 N ATOM 1758 CA HIS A 111 23.612 -9.108 -0.117 1.00 0.00 C ATOM 1759 C HIS A 111 23.745 -8.420 -1.470 1.00 0.00 C ATOM 1760 O HIS A 111 22.911 -8.682 -2.361 1.00 0.00 O ATOM 1761 CB HIS A 111 23.813 -10.633 -0.238 1.00 0.00 C ATOM 1762 CG HIS A 111 22.935 -11.325 -1.241 1.00 0.00 C ATOM 1763 ND1 HIS A 111 23.389 -11.749 -2.473 1.00 0.00 N ATOM 1764 CD2 HIS A 111 21.633 -11.682 -1.185 1.00 0.00 C ATOM 1765 CE1 HIS A 111 22.404 -12.331 -3.128 1.00 0.00 C ATOM 1766 NE2 HIS A 111 21.327 -12.302 -2.370 1.00 0.00 N ATOM 1767 OXT HIS A 111 24.652 -7.582 -1.619 1.00 0.00 O ATOM 0 H HIS A 111 21.571 -8.655 -0.203 1.00 0.00 H new ATOM 0 HA HIS A 111 24.399 -8.744 0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 111 24.854 -10.825 -0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 111 23.642 -11.083 0.740 1.00 0.00 H new ATOM 0 HD2 HIS A 111 20.958 -11.511 -0.360 1.00 0.00 H new ATOM 0 HE1 HIS A 111 22.469 -12.759 -4.118 1.00 0.00 H new ATOM 0 HE2 HIS A 111 20.414 -12.679 -2.623 1.00 0.00 H new TER 1776 HIS A 111