USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 886 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 THR OG1 : rot 180:sc= -0.516 USER MOD Set 1.2: A 35 GLN : amide:sc= -0.244 K(o=-0.76,f=-2.3) USER MOD Set 2.1: A 12 SER OG : rot 120:sc= 0.156 USER MOD Set 2.2: A 75 HIS : no HE2:sc= -2.61! X(o=-2.4!,f=-2.9) USER MOD Single : A 10 GLN : amide:sc= 0.943 K(o=0.94,f=-6.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0079) USER MOD Single : A 16 TYR OH : rot -93:sc= -0.389! USER MOD Single : A 18 GLN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 22 SER OG : rot 72:sc= 0.58 USER MOD Single : A 23 HIS :FLIP no HD1:sc=-0.00482 F(o=-0.99,f=-0.0048) USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= -2.2! (180deg=-4.64!) USER MOD Single : A 26 THR OG1 : rot 32:sc= 0.232 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 102:sc= 1.22 USER MOD Single : A 30 HIS : no HD1:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 38 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 41 MET CE :methyl 162:sc= -0.139 (180deg=-0.549) USER MOD Single : A 42 GLN : amide:sc= 0.445 K(o=0.45,f=-0.58) USER MOD Single : A 43 SER OG : rot -87:sc= 1.25 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.103 K(o=-0.1,f=-4.6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0863 F(o=-1.7!,f=-0.086) USER MOD Single : A 57 SER OG : rot -6:sc= -0.214 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 1.07 (180deg=0.505) USER MOD Single : A 66 THR OG1 : rot -140:sc= -0.0755 USER MOD Single : A 74 MET CE :methyl 168:sc= -0.285 (180deg=-0.628) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -27:sc= 0.196 USER MOD Single : A 84 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.27) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 92:sc= 1.25 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HE2:sc= 0.27 K(o=0.27,f=-0.99) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.533 6.044 21.276 1.00 0.00 N ATOM 2 CA PRO A 1 -9.412 5.139 20.112 1.00 0.00 C ATOM 3 C PRO A 1 -8.053 5.323 19.446 1.00 0.00 C ATOM 4 O PRO A 1 -7.407 6.352 19.638 1.00 0.00 O ATOM 5 CB PRO A 1 -10.529 5.445 19.128 1.00 0.00 C ATOM 6 CG PRO A 1 -11.119 6.709 19.646 1.00 0.00 C ATOM 7 CD PRO A 1 -10.828 6.738 21.128 1.00 0.00 C ATOM 0 H2 PRO A 1 -8.763 6.712 21.299 1.00 0.00 H new ATOM 0 H3 PRO A 1 -9.499 5.519 22.150 1.00 0.00 H new ATOM 0 HA PRO A 1 -9.495 4.103 20.442 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.147 5.567 18.114 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.266 4.642 19.097 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.683 7.574 19.147 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.193 6.742 19.460 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.772 7.761 21.499 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -11.612 6.236 21.694 1.00 0.00 H new ATOM 17 N PRO A 2 -7.588 4.322 18.679 1.00 0.00 N ATOM 18 CA PRO A 2 -6.314 4.406 17.958 1.00 0.00 C ATOM 19 C PRO A 2 -6.305 5.557 16.954 1.00 0.00 C ATOM 20 O PRO A 2 -7.137 5.616 16.047 1.00 0.00 O ATOM 21 CB PRO A 2 -6.213 3.057 17.234 1.00 0.00 C ATOM 22 CG PRO A 2 -7.136 2.153 17.973 1.00 0.00 C ATOM 23 CD PRO A 2 -8.254 3.026 18.466 1.00 0.00 C ATOM 0 HA PRO A 2 -5.476 4.598 18.628 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.504 3.148 16.187 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.192 2.676 17.249 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.514 1.363 17.323 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.625 1.666 18.803 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.060 3.101 17.736 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.692 2.640 19.387 1.00 0.00 H new ATOM 31 N VAL A 3 -5.370 6.479 17.129 1.00 0.00 N ATOM 32 CA VAL A 3 -5.271 7.641 16.260 1.00 0.00 C ATOM 33 C VAL A 3 -4.156 7.457 15.240 1.00 0.00 C ATOM 34 O VAL A 3 -2.968 7.519 15.573 1.00 0.00 O ATOM 35 CB VAL A 3 -5.020 8.939 17.057 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.988 10.152 16.128 1.00 0.00 C ATOM 37 CG2 VAL A 3 -6.077 9.124 18.141 1.00 0.00 C ATOM 0 H VAL A 3 -4.667 6.444 17.867 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.228 7.732 15.746 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.046 8.852 17.539 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.810 11.054 16.713 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.188 10.030 15.397 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.943 10.239 15.610 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.879 10.045 18.689 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.064 9.180 17.681 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.045 8.279 18.829 1.00 0.00 H new ATOM 47 N ALA A 4 -4.545 7.212 14.004 1.00 0.00 N ATOM 48 CA ALA A 4 -3.594 7.069 12.916 1.00 0.00 C ATOM 49 C ALA A 4 -3.891 8.092 11.829 1.00 0.00 C ATOM 50 O ALA A 4 -4.942 8.044 11.191 1.00 0.00 O ATOM 51 CB ALA A 4 -3.638 5.654 12.346 1.00 0.00 C ATOM 0 H ALA A 4 -5.521 7.107 13.726 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.591 7.248 13.302 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.918 5.567 11.532 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.388 4.938 13.129 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.639 5.445 11.969 1.00 0.00 H new ATOM 57 N GLU A 5 -2.974 9.023 11.626 1.00 0.00 N ATOM 58 CA GLU A 5 -3.169 10.067 10.634 1.00 0.00 C ATOM 59 C GLU A 5 -2.813 9.556 9.244 1.00 0.00 C ATOM 60 O GLU A 5 -1.646 9.517 8.858 1.00 0.00 O ATOM 61 CB GLU A 5 -2.338 11.307 10.976 1.00 0.00 C ATOM 62 CG GLU A 5 -2.546 12.462 10.009 1.00 0.00 C ATOM 63 CD GLU A 5 -1.785 13.706 10.411 1.00 0.00 C ATOM 64 OE1 GLU A 5 -0.571 13.782 10.130 1.00 0.00 O ATOM 65 OE2 GLU A 5 -2.400 14.617 10.997 1.00 0.00 O ATOM 0 H GLU A 5 -2.090 9.078 12.133 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.222 10.349 10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.590 11.637 11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.282 11.036 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.232 12.156 9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.609 12.695 9.951 1.00 0.00 H new ATOM 72 N TRP A 6 -3.831 9.150 8.511 1.00 0.00 N ATOM 73 CA TRP A 6 -3.657 8.631 7.167 1.00 0.00 C ATOM 74 C TRP A 6 -4.876 8.987 6.326 1.00 0.00 C ATOM 75 O TRP A 6 -5.995 8.570 6.634 1.00 0.00 O ATOM 76 CB TRP A 6 -3.455 7.112 7.229 1.00 0.00 C ATOM 77 CG TRP A 6 -3.029 6.484 5.935 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.525 7.111 4.829 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.059 5.089 5.623 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.250 6.188 3.848 1.00 0.00 N ATOM 81 CE2 TRP A 6 -2.568 4.941 4.312 1.00 0.00 C ATOM 82 CE3 TRP A 6 -3.455 3.951 6.328 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.466 3.700 3.692 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -3.352 2.720 5.713 1.00 0.00 C ATOM 85 CH2 TRP A 6 -2.861 2.604 4.408 1.00 0.00 C ATOM 0 H TRP A 6 -4.800 9.170 8.828 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.776 9.077 6.704 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.706 6.889 7.989 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.386 6.648 7.553 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.366 8.176 4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.871 6.399 2.925 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.835 4.033 7.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.089 3.606 2.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.655 1.832 6.248 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.792 1.626 3.955 1.00 0.00 H new ATOM 96 N ALA A 7 -4.658 9.765 5.273 1.00 0.00 N ATOM 97 CA ALA A 7 -5.751 10.287 4.464 1.00 0.00 C ATOM 98 C ALA A 7 -6.203 9.284 3.409 1.00 0.00 C ATOM 99 O ALA A 7 -5.954 9.454 2.217 1.00 0.00 O ATOM 100 CB ALA A 7 -5.357 11.609 3.820 1.00 0.00 C ATOM 0 H ALA A 7 -3.730 10.049 4.959 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.597 10.463 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.187 11.983 3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.115 12.334 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.487 11.458 3.182 1.00 0.00 H new ATOM 106 N VAL A 8 -6.834 8.219 3.866 1.00 0.00 N ATOM 107 CA VAL A 8 -7.460 7.261 2.979 1.00 0.00 C ATOM 108 C VAL A 8 -8.846 6.900 3.501 1.00 0.00 C ATOM 109 O VAL A 8 -8.987 6.396 4.618 1.00 0.00 O ATOM 110 CB VAL A 8 -6.594 5.990 2.803 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.260 5.346 4.138 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.280 4.989 1.888 1.00 0.00 C ATOM 0 H VAL A 8 -6.926 7.996 4.857 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.556 7.724 1.997 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.657 6.300 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.651 4.457 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.707 6.054 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.182 5.064 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.652 4.105 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.240 4.702 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.441 5.441 0.909 1.00 0.00 H new ATOM 122 N PRO A 9 -9.886 7.224 2.714 1.00 0.00 N ATOM 123 CA PRO A 9 -11.276 6.904 3.034 1.00 0.00 C ATOM 124 C PRO A 9 -11.446 5.538 3.691 1.00 0.00 C ATOM 125 O PRO A 9 -10.919 4.526 3.213 1.00 0.00 O ATOM 126 CB PRO A 9 -11.941 6.930 1.665 1.00 0.00 C ATOM 127 CG PRO A 9 -11.198 7.979 0.912 1.00 0.00 C ATOM 128 CD PRO A 9 -9.787 7.975 1.448 1.00 0.00 C ATOM 0 HA PRO A 9 -11.700 7.599 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.871 5.961 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.001 7.172 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.207 7.768 -0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.662 8.956 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.098 7.496 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.420 8.988 1.613 1.00 0.00 H new ATOM 136 N GLN A 10 -12.184 5.528 4.792 1.00 0.00 N ATOM 137 CA GLN A 10 -12.425 4.321 5.571 1.00 0.00 C ATOM 138 C GLN A 10 -13.034 3.219 4.705 1.00 0.00 C ATOM 139 O GLN A 10 -12.797 2.037 4.939 1.00 0.00 O ATOM 140 CB GLN A 10 -13.340 4.655 6.750 1.00 0.00 C ATOM 141 CG GLN A 10 -13.520 3.521 7.743 1.00 0.00 C ATOM 142 CD GLN A 10 -13.341 3.985 9.175 1.00 0.00 C ATOM 143 OE1 GLN A 10 -12.237 3.943 9.712 1.00 0.00 O ATOM 144 NE2 GLN A 10 -14.413 4.454 9.794 1.00 0.00 N ATOM 0 H GLN A 10 -12.635 6.360 5.172 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.473 3.948 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.936 5.521 7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.318 4.944 6.365 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.514 3.089 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.801 2.731 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.312 4.472 9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.340 4.797 10.752 1.00 0.00 H new ATOM 153 N SER A 11 -13.788 3.622 3.690 1.00 0.00 N ATOM 154 CA SER A 11 -14.394 2.685 2.752 1.00 0.00 C ATOM 155 C SER A 11 -13.333 1.800 2.091 1.00 0.00 C ATOM 156 O SER A 11 -13.513 0.589 1.949 1.00 0.00 O ATOM 157 CB SER A 11 -15.171 3.467 1.693 1.00 0.00 C ATOM 158 OG SER A 11 -14.416 4.582 1.241 1.00 0.00 O ATOM 0 H SER A 11 -13.996 4.601 3.494 1.00 0.00 H new ATOM 0 HA SER A 11 -15.075 2.031 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.406 2.815 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.120 3.807 2.108 1.00 0.00 H new ATOM 0 HG SER A 11 -14.928 5.070 0.562 1.00 0.00 H new ATOM 164 N SER A 12 -12.209 2.410 1.724 1.00 0.00 N ATOM 165 CA SER A 12 -11.130 1.695 1.054 1.00 0.00 C ATOM 166 C SER A 12 -10.434 0.729 2.014 1.00 0.00 C ATOM 167 O SER A 12 -10.157 -0.419 1.664 1.00 0.00 O ATOM 168 CB SER A 12 -10.110 2.687 0.483 1.00 0.00 C ATOM 169 OG SER A 12 -10.735 3.641 -0.366 1.00 0.00 O ATOM 0 H SER A 12 -12.023 3.401 1.881 1.00 0.00 H new ATOM 0 HA SER A 12 -11.564 1.117 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.603 3.201 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.346 2.145 -0.075 1.00 0.00 H new ATOM 0 HG SER A 12 -10.588 4.542 -0.010 1.00 0.00 H new ATOM 175 N ARG A 13 -10.173 1.189 3.233 1.00 0.00 N ATOM 176 CA ARG A 13 -9.403 0.398 4.186 1.00 0.00 C ATOM 177 C ARG A 13 -10.241 -0.715 4.812 1.00 0.00 C ATOM 178 O ARG A 13 -9.721 -1.783 5.132 1.00 0.00 O ATOM 179 CB ARG A 13 -8.769 1.293 5.255 1.00 0.00 C ATOM 180 CG ARG A 13 -9.726 2.182 6.026 1.00 0.00 C ATOM 181 CD ARG A 13 -8.950 3.098 6.961 1.00 0.00 C ATOM 182 NE ARG A 13 -9.816 3.928 7.798 1.00 0.00 N ATOM 183 CZ ARG A 13 -9.589 5.219 8.053 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.572 5.848 7.470 1.00 0.00 N ATOM 185 NH2 ARG A 13 -10.388 5.881 8.880 1.00 0.00 N ATOM 0 H ARG A 13 -10.480 2.097 3.582 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.597 -0.086 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.240 0.658 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.022 1.926 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.321 2.777 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.422 1.569 6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.306 2.494 7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.298 3.743 6.371 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.642 3.495 8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.963 5.344 6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.402 6.834 7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.175 5.404 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.216 6.867 9.076 1.00 0.00 H new ATOM 199 N LEU A 14 -11.532 -0.469 4.977 1.00 0.00 N ATOM 200 CA LEU A 14 -12.450 -1.497 5.458 1.00 0.00 C ATOM 201 C LEU A 14 -12.564 -2.632 4.447 1.00 0.00 C ATOM 202 O LEU A 14 -12.663 -3.804 4.813 1.00 0.00 O ATOM 203 CB LEU A 14 -13.831 -0.898 5.721 1.00 0.00 C ATOM 204 CG LEU A 14 -13.949 -0.028 6.971 1.00 0.00 C ATOM 205 CD1 LEU A 14 -15.369 0.494 7.118 1.00 0.00 C ATOM 206 CD2 LEU A 14 -13.535 -0.805 8.213 1.00 0.00 C ATOM 0 H LEU A 14 -11.970 0.432 4.786 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.053 -1.897 6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.118 -0.300 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.551 -1.712 5.798 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.274 0.821 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.439 1.112 8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.630 1.090 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.058 -0.346 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.627 -0.165 9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.180 -1.676 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.500 -1.132 8.110 1.00 0.00 H new ATOM 218 N LYS A 15 -12.551 -2.263 3.175 1.00 0.00 N ATOM 219 CA LYS A 15 -12.617 -3.220 2.078 1.00 0.00 C ATOM 220 C LYS A 15 -11.365 -4.083 2.046 1.00 0.00 C ATOM 221 O LYS A 15 -11.444 -5.295 1.874 1.00 0.00 O ATOM 222 CB LYS A 15 -12.764 -2.468 0.753 1.00 0.00 C ATOM 223 CG LYS A 15 -13.094 -3.353 -0.432 1.00 0.00 C ATOM 224 CD LYS A 15 -13.031 -2.565 -1.730 1.00 0.00 C ATOM 225 CE LYS A 15 -13.607 -3.351 -2.899 1.00 0.00 C ATOM 226 NZ LYS A 15 -15.093 -3.379 -2.869 1.00 0.00 N ATOM 0 H LYS A 15 -12.494 -1.290 2.873 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.480 -3.869 2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.546 -1.717 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.836 -1.935 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.394 -4.188 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.090 -3.778 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.581 -1.631 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.995 -2.301 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.271 -2.907 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.224 -4.371 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.447 -3.895 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.414 -3.856 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.459 -2.406 -2.884 1.00 0.00 H new ATOM 240 N TYR A 16 -10.206 -3.461 2.211 1.00 0.00 N ATOM 241 CA TYR A 16 -8.963 -4.215 2.217 1.00 0.00 C ATOM 242 C TYR A 16 -8.809 -5.051 3.480 1.00 0.00 C ATOM 243 O TYR A 16 -8.201 -6.107 3.440 1.00 0.00 O ATOM 244 CB TYR A 16 -7.731 -3.323 2.068 1.00 0.00 C ATOM 245 CG TYR A 16 -6.470 -4.110 2.330 1.00 0.00 C ATOM 246 CD1 TYR A 16 -5.999 -5.022 1.400 1.00 0.00 C ATOM 247 CD2 TYR A 16 -5.786 -3.990 3.533 1.00 0.00 C ATOM 248 CE1 TYR A 16 -4.883 -5.785 1.659 1.00 0.00 C ATOM 249 CE2 TYR A 16 -4.664 -4.744 3.792 1.00 0.00 C ATOM 250 CZ TYR A 16 -4.217 -5.642 2.852 1.00 0.00 C ATOM 251 OH TYR A 16 -3.101 -6.401 3.105 1.00 0.00 O ATOM 0 H TYR A 16 -10.101 -2.455 2.340 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.025 -4.873 1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.700 -2.901 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.795 -2.486 2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.515 -5.136 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.141 -3.293 4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.531 -6.495 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.138 -4.631 4.728 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.361 -7.214 3.587 1.00 0.00 H new ATOM 261 N ARG A 17 -9.326 -4.597 4.611 1.00 0.00 N ATOM 262 CA ARG A 17 -9.251 -5.404 5.828 1.00 0.00 C ATOM 263 C ARG A 17 -9.918 -6.755 5.575 1.00 0.00 C ATOM 264 O ARG A 17 -9.606 -7.755 6.208 1.00 0.00 O ATOM 265 CB ARG A 17 -9.899 -4.691 7.011 1.00 0.00 C ATOM 266 CG ARG A 17 -9.517 -5.310 8.342 1.00 0.00 C ATOM 267 CD ARG A 17 -9.945 -4.442 9.506 1.00 0.00 C ATOM 268 NE ARG A 17 -11.394 -4.440 9.689 1.00 0.00 N ATOM 269 CZ ARG A 17 -12.015 -3.846 10.703 1.00 0.00 C ATOM 270 NH1 ARG A 17 -11.321 -3.163 11.606 1.00 0.00 N ATOM 271 NH2 ARG A 17 -13.333 -3.939 10.812 1.00 0.00 N ATOM 0 H ARG A 17 -9.793 -3.696 4.716 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.203 -5.559 6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.605 -3.642 7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.983 -4.719 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.979 -6.293 8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.438 -5.460 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.466 -4.798 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.600 -3.421 9.342 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.965 -4.924 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.307 -3.092 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.802 -2.709 12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.866 -4.465 10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.814 -3.485 11.588 1.00 0.00 H new ATOM 285 N GLN A 18 -10.815 -6.739 4.606 1.00 0.00 N ATOM 286 CA GLN A 18 -11.571 -7.898 4.158 1.00 0.00 C ATOM 287 C GLN A 18 -10.787 -8.764 3.158 1.00 0.00 C ATOM 288 O GLN A 18 -11.169 -9.889 2.863 1.00 0.00 O ATOM 289 CB GLN A 18 -12.831 -7.376 3.497 1.00 0.00 C ATOM 290 CG GLN A 18 -14.015 -7.257 4.437 1.00 0.00 C ATOM 291 CD GLN A 18 -15.155 -6.468 3.832 1.00 0.00 C ATOM 292 OE1 GLN A 18 -16.059 -7.029 3.213 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.116 -5.155 3.995 1.00 0.00 N ATOM 0 H GLN A 18 -11.046 -5.890 4.090 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.789 -8.535 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.624 -6.397 3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.099 -8.038 2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.367 -8.254 4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.695 -6.776 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.349 -4.728 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.853 -4.570 3.601 1.00 0.00 H new ATOM 302 N LEU A 19 -9.701 -8.218 2.650 1.00 0.00 N ATOM 303 CA LEU A 19 -8.931 -8.814 1.539 1.00 0.00 C ATOM 304 C LEU A 19 -7.508 -8.298 1.550 1.00 0.00 C ATOM 305 O LEU A 19 -6.959 -8.019 0.487 1.00 0.00 O ATOM 306 CB LEU A 19 -9.547 -8.332 0.239 1.00 0.00 C ATOM 307 CG LEU A 19 -9.311 -9.209 -0.998 1.00 0.00 C ATOM 308 CD1 LEU A 19 -9.833 -10.616 -0.768 1.00 0.00 C ATOM 309 CD2 LEU A 19 -9.974 -8.590 -2.219 1.00 0.00 C ATOM 0 H LEU A 19 -9.311 -7.339 2.989 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.944 -9.899 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.622 -8.234 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.162 -7.334 0.028 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.237 -9.268 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.655 -11.220 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.316 -11.061 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.903 -10.578 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.798 -9.223 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.046 -8.502 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.553 -7.601 -2.399 1.00 0.00 H new ATOM 321 N PHE A 20 -6.857 -8.195 2.694 1.00 0.00 N ATOM 322 CA PHE A 20 -6.574 -9.272 3.675 1.00 0.00 C ATOM 323 C PHE A 20 -7.622 -10.356 3.946 1.00 0.00 C ATOM 324 O PHE A 20 -7.513 -11.436 3.375 1.00 0.00 O ATOM 325 CB PHE A 20 -6.174 -8.639 5.010 1.00 0.00 C ATOM 326 CG PHE A 20 -4.704 -8.739 5.309 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.809 -9.164 4.340 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.219 -8.411 6.564 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.460 -9.255 4.617 1.00 0.00 C ATOM 330 CE2 PHE A 20 -2.870 -8.503 6.847 1.00 0.00 C ATOM 331 CZ PHE A 20 -1.990 -8.926 5.871 1.00 0.00 C ATOM 0 H PHE A 20 -6.477 -7.299 3.001 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.782 -9.829 3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.464 -7.588 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.733 -9.121 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.171 -9.427 3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.904 -8.079 7.331 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.773 -9.584 3.852 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.504 -8.245 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.935 -8.999 6.089 1.00 0.00 H new ATOM 341 N ASN A 21 -8.619 -10.079 4.780 1.00 0.00 N ATOM 342 CA ASN A 21 -9.292 -11.126 5.584 1.00 0.00 C ATOM 343 C ASN A 21 -9.686 -12.392 4.809 1.00 0.00 C ATOM 344 O ASN A 21 -9.437 -13.496 5.289 1.00 0.00 O ATOM 345 CB ASN A 21 -10.534 -10.545 6.258 1.00 0.00 C ATOM 346 CG ASN A 21 -11.216 -11.530 7.184 1.00 0.00 C ATOM 347 OD1 ASN A 21 -12.090 -12.291 6.769 1.00 0.00 O ATOM 348 ND2 ASN A 21 -10.827 -11.514 8.449 1.00 0.00 N ATOM 0 H ASN A 21 -8.989 -9.140 4.926 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.549 -11.443 6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.252 -9.657 6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.241 -10.224 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.256 -12.149 9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.099 -10.867 8.750 1.00 0.00 H new ATOM 355 N SER A 22 -10.287 -12.256 3.634 1.00 0.00 N ATOM 356 CA SER A 22 -10.718 -13.417 2.861 1.00 0.00 C ATOM 357 C SER A 22 -9.538 -14.311 2.453 1.00 0.00 C ATOM 358 O SER A 22 -9.705 -15.508 2.231 1.00 0.00 O ATOM 359 CB SER A 22 -11.494 -12.958 1.630 1.00 0.00 C ATOM 360 OG SER A 22 -12.660 -12.236 2.002 1.00 0.00 O ATOM 0 H SER A 22 -10.487 -11.357 3.195 1.00 0.00 H new ATOM 0 HA SER A 22 -11.368 -14.019 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.857 -12.330 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.774 -13.823 1.029 1.00 0.00 H new ATOM 0 HG SER A 22 -12.403 -11.355 2.347 1.00 0.00 H new ATOM 366 N HIS A 23 -8.345 -13.728 2.359 1.00 0.00 N ATOM 367 CA HIS A 23 -7.141 -14.491 2.041 1.00 0.00 C ATOM 368 C HIS A 23 -6.388 -14.855 3.309 1.00 0.00 C ATOM 369 O HIS A 23 -5.945 -15.991 3.477 1.00 0.00 O ATOM 370 CB HIS A 23 -6.204 -13.707 1.113 1.00 0.00 C ATOM 371 CG HIS A 23 -6.594 -13.745 -0.326 1.00 0.00 C ATOM 372 ND1 HIS A 23 -7.357 -12.906 -1.059 1.00 0.00 N flip ATOM 373 CD2 HIS A 23 -6.171 -14.728 -1.191 1.00 0.00 C flip ATOM 374 CE1 HIS A 23 -7.383 -13.389 -2.342 1.00 0.00 C flip ATOM 375 NE2 HIS A 23 -6.657 -14.491 -2.393 1.00 0.00 N flip ATOM 0 H HIS A 23 -8.187 -12.730 2.499 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.463 -15.398 1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.172 -12.668 1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.194 -14.105 1.215 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.539 -15.563 -0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.910 -12.943 -3.173 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.499 -15.063 -3.223 1.00 0.00 H new ATOM 384 N ASP A 24 -6.262 -13.884 4.204 1.00 0.00 N ATOM 385 CA ASP A 24 -5.459 -14.047 5.408 1.00 0.00 C ATOM 386 C ASP A 24 -6.085 -15.056 6.360 1.00 0.00 C ATOM 387 O ASP A 24 -7.246 -14.930 6.749 1.00 0.00 O ATOM 388 CB ASP A 24 -5.270 -12.710 6.122 1.00 0.00 C ATOM 389 CG ASP A 24 -4.341 -12.834 7.314 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.328 -13.564 7.205 1.00 0.00 O ATOM 391 OD2 ASP A 24 -4.617 -12.201 8.353 1.00 0.00 O ATOM 0 H ASP A 24 -6.708 -12.971 4.118 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.484 -14.424 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.867 -11.978 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.238 -12.335 6.453 1.00 0.00 H new ATOM 396 N LYS A 25 -5.305 -16.056 6.726 1.00 0.00 N ATOM 397 CA LYS A 25 -5.765 -17.105 7.621 1.00 0.00 C ATOM 398 C LYS A 25 -4.645 -17.541 8.555 1.00 0.00 C ATOM 399 O LYS A 25 -4.638 -18.666 9.065 1.00 0.00 O ATOM 400 CB LYS A 25 -6.306 -18.292 6.814 1.00 0.00 C ATOM 401 CG LYS A 25 -5.414 -18.718 5.656 1.00 0.00 C ATOM 402 CD LYS A 25 -6.096 -19.740 4.751 1.00 0.00 C ATOM 403 CE LYS A 25 -7.207 -19.122 3.897 1.00 0.00 C ATOM 404 NZ LYS A 25 -8.431 -18.793 4.679 1.00 0.00 N ATOM 0 H LYS A 25 -4.340 -16.165 6.414 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.576 -16.712 8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.442 -19.141 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.290 -18.033 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.139 -17.841 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.489 -19.142 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.352 -20.195 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.515 -20.539 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.831 -18.215 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.469 -19.814 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.275 -19.048 4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.427 -19.327 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.448 -17.774 4.885 1.00 0.00 H new ATOM 418 N THR A 26 -3.711 -16.635 8.788 1.00 0.00 N ATOM 419 CA THR A 26 -2.596 -16.879 9.677 1.00 0.00 C ATOM 420 C THR A 26 -1.981 -15.535 10.055 1.00 0.00 C ATOM 421 O THR A 26 -2.594 -14.490 9.837 1.00 0.00 O ATOM 422 CB THR A 26 -1.542 -17.806 9.016 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.526 -18.169 9.959 1.00 0.00 O ATOM 424 CG2 THR A 26 -0.902 -17.144 7.801 1.00 0.00 C ATOM 0 H THR A 26 -3.708 -15.708 8.363 1.00 0.00 H new ATOM 0 HA THR A 26 -2.948 -17.390 10.573 1.00 0.00 H new ATOM 0 HB THR A 26 -2.061 -18.705 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.915 -18.217 10.857 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.169 -17.821 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.672 -16.915 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.408 -16.222 8.107 1.00 0.00 H new ATOM 432 N MET A 27 -0.793 -15.549 10.624 1.00 0.00 N ATOM 433 CA MET A 27 -0.114 -14.312 10.968 1.00 0.00 C ATOM 434 C MET A 27 0.748 -13.860 9.795 1.00 0.00 C ATOM 435 O MET A 27 1.974 -13.992 9.814 1.00 0.00 O ATOM 436 CB MET A 27 0.736 -14.485 12.229 1.00 0.00 C ATOM 437 CG MET A 27 1.315 -13.176 12.751 1.00 0.00 C ATOM 438 SD MET A 27 0.039 -11.963 13.136 1.00 0.00 S ATOM 439 CE MET A 27 1.042 -10.555 13.607 1.00 0.00 C ATOM 0 H MET A 27 -0.278 -16.398 10.858 1.00 0.00 H new ATOM 0 HA MET A 27 -0.862 -13.547 11.177 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.127 -14.941 13.009 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.552 -15.176 12.017 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.905 -13.374 13.646 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.994 -12.760 12.007 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.394 -9.720 13.874 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.663 -10.821 14.462 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.680 -10.267 12.771 1.00 0.00 H new ATOM 449 N SER A 28 0.091 -13.367 8.755 1.00 0.00 N ATOM 450 CA SER A 28 0.774 -12.963 7.539 1.00 0.00 C ATOM 451 C SER A 28 1.408 -11.581 7.698 1.00 0.00 C ATOM 452 O SER A 28 2.625 -11.429 7.580 1.00 0.00 O ATOM 453 CB SER A 28 -0.207 -12.959 6.367 1.00 0.00 C ATOM 454 OG SER A 28 -0.912 -14.187 6.287 1.00 0.00 O ATOM 0 H SER A 28 -0.920 -13.237 8.731 1.00 0.00 H new ATOM 0 HA SER A 28 1.570 -13.680 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.914 -12.137 6.483 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.334 -12.785 5.437 1.00 0.00 H new ATOM 0 HG SER A 28 -1.813 -14.071 6.655 1.00 0.00 H new ATOM 460 N GLY A 29 0.579 -10.574 7.954 1.00 0.00 N ATOM 461 CA GLY A 29 1.073 -9.211 8.078 1.00 0.00 C ATOM 462 C GLY A 29 1.265 -8.545 6.724 1.00 0.00 C ATOM 463 O GLY A 29 1.141 -7.328 6.593 1.00 0.00 O ATOM 0 H GLY A 29 -0.428 -10.676 8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.373 -8.625 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.021 -9.217 8.616 1.00 0.00 H new ATOM 467 N HIS A 30 1.564 -9.355 5.718 1.00 0.00 N ATOM 468 CA HIS A 30 1.754 -8.878 4.356 1.00 0.00 C ATOM 469 C HIS A 30 1.497 -10.007 3.369 1.00 0.00 C ATOM 470 O HIS A 30 1.703 -11.177 3.692 1.00 0.00 O ATOM 471 CB HIS A 30 3.172 -8.320 4.155 1.00 0.00 C ATOM 472 CG HIS A 30 4.272 -9.221 4.636 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.778 -9.169 5.919 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.967 -10.194 4.002 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.732 -10.071 6.049 1.00 0.00 C ATOM 476 NE2 HIS A 30 5.867 -10.705 4.902 1.00 0.00 N ATOM 0 H HIS A 30 1.682 -10.363 5.824 1.00 0.00 H new ATOM 0 HA HIS A 30 1.043 -8.071 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.322 -8.119 3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.249 -7.365 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.837 -10.510 2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.306 -10.258 6.945 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.533 -11.454 4.714 1.00 0.00 H new ATOM 485 N LEU A 31 1.053 -9.654 2.177 1.00 0.00 N ATOM 486 CA LEU A 31 0.807 -10.639 1.132 1.00 0.00 C ATOM 487 C LEU A 31 1.970 -10.643 0.152 1.00 0.00 C ATOM 488 O LEU A 31 2.792 -9.723 0.158 1.00 0.00 O ATOM 489 CB LEU A 31 -0.507 -10.345 0.405 1.00 0.00 C ATOM 490 CG LEU A 31 -1.765 -10.458 1.270 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.008 -10.166 0.448 1.00 0.00 C ATOM 492 CD2 LEU A 31 -1.859 -11.840 1.900 1.00 0.00 C ATOM 0 H LEU A 31 0.854 -8.691 1.905 1.00 0.00 H new ATOM 0 HA LEU A 31 0.722 -11.624 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.458 -9.338 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.600 -11.031 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.698 -9.718 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.891 -10.252 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.948 -9.156 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.078 -10.881 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.760 -11.901 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.901 -12.595 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.984 -12.015 2.526 1.00 0.00 H new ATOM 504 N THR A 32 2.043 -11.668 -0.685 1.00 0.00 N ATOM 505 CA THR A 32 3.156 -11.816 -1.606 1.00 0.00 C ATOM 506 C THR A 32 2.888 -11.073 -2.908 1.00 0.00 C ATOM 507 O THR A 32 1.755 -10.671 -3.183 1.00 0.00 O ATOM 508 CB THR A 32 3.429 -13.303 -1.907 1.00 0.00 C ATOM 509 OG1 THR A 32 2.241 -13.926 -2.410 1.00 0.00 O ATOM 510 CG2 THR A 32 3.896 -14.033 -0.655 1.00 0.00 C ATOM 0 H THR A 32 1.344 -12.408 -0.744 1.00 0.00 H new ATOM 0 HA THR A 32 4.036 -11.385 -1.128 1.00 0.00 H new ATOM 0 HB THR A 32 4.217 -13.360 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.422 -14.870 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.082 -15.080 -0.893 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.815 -13.575 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.126 -13.967 0.113 1.00 0.00 H new ATOM 518 N GLY A 33 3.943 -10.893 -3.694 1.00 0.00 N ATOM 519 CA GLY A 33 3.843 -10.219 -4.975 1.00 0.00 C ATOM 520 C GLY A 33 2.726 -10.754 -5.851 1.00 0.00 C ATOM 521 O GLY A 33 1.790 -10.021 -6.165 1.00 0.00 O ATOM 0 H GLY A 33 4.884 -11.209 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.684 -9.154 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.790 -10.319 -5.505 1.00 0.00 H new ATOM 525 N PRO A 34 2.803 -12.029 -6.274 1.00 0.00 N ATOM 526 CA PRO A 34 1.774 -12.645 -7.117 1.00 0.00 C ATOM 527 C PRO A 34 0.368 -12.484 -6.539 1.00 0.00 C ATOM 528 O PRO A 34 -0.557 -12.117 -7.260 1.00 0.00 O ATOM 529 CB PRO A 34 2.174 -14.120 -7.151 1.00 0.00 C ATOM 530 CG PRO A 34 3.640 -14.118 -6.907 1.00 0.00 C ATOM 531 CD PRO A 34 3.903 -12.967 -5.979 1.00 0.00 C ATOM 0 HA PRO A 34 1.728 -12.180 -8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.646 -14.691 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.933 -14.574 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.963 -15.059 -6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.191 -14.001 -7.840 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.893 -13.282 -4.936 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.877 -12.515 -6.166 1.00 0.00 H new ATOM 539 N GLN A 35 0.215 -12.738 -5.241 1.00 0.00 N ATOM 540 CA GLN A 35 -1.090 -12.614 -4.590 1.00 0.00 C ATOM 541 C GLN A 35 -1.635 -11.194 -4.722 1.00 0.00 C ATOM 542 O GLN A 35 -2.760 -10.993 -5.190 1.00 0.00 O ATOM 543 CB GLN A 35 -1.003 -12.991 -3.113 1.00 0.00 C ATOM 544 CG GLN A 35 -0.747 -14.466 -2.869 1.00 0.00 C ATOM 545 CD GLN A 35 -0.794 -14.824 -1.396 1.00 0.00 C ATOM 546 OE1 GLN A 35 -1.530 -14.215 -0.623 1.00 0.00 O ATOM 547 NE2 GLN A 35 0.002 -15.801 -0.993 1.00 0.00 N ATOM 0 H GLN A 35 0.972 -13.029 -4.622 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.770 -13.302 -5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.206 -12.412 -2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.933 -12.707 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.490 -15.055 -3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.228 -14.735 -3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.599 -16.283 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.019 -16.072 -0.010 1.00 0.00 H new ATOM 556 N ALA A 36 -0.820 -10.222 -4.316 1.00 0.00 N ATOM 557 CA ALA A 36 -1.182 -8.809 -4.396 1.00 0.00 C ATOM 558 C ALA A 36 -1.512 -8.418 -5.835 1.00 0.00 C ATOM 559 O ALA A 36 -2.561 -7.833 -6.111 1.00 0.00 O ATOM 560 CB ALA A 36 -0.044 -7.956 -3.861 1.00 0.00 C ATOM 0 H ALA A 36 0.106 -10.391 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.070 -8.639 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.319 -6.903 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.151 -8.220 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.853 -8.132 -4.454 1.00 0.00 H new ATOM 566 N ARG A 37 -0.624 -8.789 -6.753 1.00 0.00 N ATOM 567 CA ARG A 37 -0.757 -8.434 -8.165 1.00 0.00 C ATOM 568 C ARG A 37 -1.989 -9.075 -8.797 1.00 0.00 C ATOM 569 O ARG A 37 -2.632 -8.478 -9.657 1.00 0.00 O ATOM 570 CB ARG A 37 0.500 -8.849 -8.926 1.00 0.00 C ATOM 571 CG ARG A 37 1.666 -7.892 -8.731 1.00 0.00 C ATOM 572 CD ARG A 37 2.930 -8.396 -9.411 1.00 0.00 C ATOM 573 NE ARG A 37 2.743 -8.626 -10.843 1.00 0.00 N ATOM 574 CZ ARG A 37 3.640 -8.298 -11.773 1.00 0.00 C ATOM 575 NH1 ARG A 37 4.746 -7.644 -11.433 1.00 0.00 N ATOM 576 NH2 ARG A 37 3.428 -8.622 -13.048 1.00 0.00 N ATOM 0 H ARG A 37 0.206 -9.343 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.881 -7.353 -8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.799 -9.846 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.267 -8.915 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.403 -6.913 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.854 -7.761 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.731 -7.671 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.249 -9.324 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 37 1.874 -9.064 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.910 -7.392 -10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.431 -7.394 -12.147 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.579 -9.121 -13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.115 -8.371 -13.759 1.00 0.00 H new ATOM 590 N THR A 38 -2.323 -10.278 -8.356 1.00 0.00 N ATOM 591 CA THR A 38 -3.487 -10.984 -8.875 1.00 0.00 C ATOM 592 C THR A 38 -4.761 -10.195 -8.590 1.00 0.00 C ATOM 593 O THR A 38 -5.619 -10.056 -9.459 1.00 0.00 O ATOM 594 CB THR A 38 -3.605 -12.398 -8.270 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.462 -13.179 -8.639 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.874 -13.101 -8.740 1.00 0.00 C ATOM 0 H THR A 38 -1.805 -10.787 -7.640 1.00 0.00 H new ATOM 0 HA THR A 38 -3.357 -11.082 -9.953 1.00 0.00 H new ATOM 0 HB THR A 38 -3.653 -12.297 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.746 -13.041 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.926 -14.095 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.745 -12.521 -8.435 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.859 -13.190 -9.826 1.00 0.00 H new ATOM 604 N ILE A 39 -4.860 -9.661 -7.379 1.00 0.00 N ATOM 605 CA ILE A 39 -6.012 -8.862 -6.991 1.00 0.00 C ATOM 606 C ILE A 39 -5.978 -7.511 -7.704 1.00 0.00 C ATOM 607 O ILE A 39 -7.007 -7.000 -8.148 1.00 0.00 O ATOM 608 CB ILE A 39 -6.056 -8.652 -5.461 1.00 0.00 C ATOM 609 CG1 ILE A 39 -6.072 -10.007 -4.750 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.270 -7.822 -5.065 1.00 0.00 C ATOM 611 CD1 ILE A 39 -6.034 -9.911 -3.239 1.00 0.00 C ATOM 0 H ILE A 39 -4.155 -9.768 -6.649 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.912 -9.401 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.163 -8.106 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.969 -10.551 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.217 -10.593 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.281 -7.687 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.220 -6.848 -5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.179 -8.336 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.048 -10.913 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.124 -9.397 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.903 -9.354 -2.888 1.00 0.00 H new ATOM 623 N LEU A 40 -4.777 -6.961 -7.838 1.00 0.00 N ATOM 624 CA LEU A 40 -4.571 -5.685 -8.518 1.00 0.00 C ATOM 625 C LEU A 40 -5.076 -5.726 -9.963 1.00 0.00 C ATOM 626 O LEU A 40 -5.715 -4.786 -10.437 1.00 0.00 O ATOM 627 CB LEU A 40 -3.082 -5.320 -8.504 1.00 0.00 C ATOM 628 CG LEU A 40 -2.499 -4.972 -7.133 1.00 0.00 C ATOM 629 CD1 LEU A 40 -1.020 -4.635 -7.254 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.258 -3.813 -6.502 1.00 0.00 C ATOM 0 H LEU A 40 -3.921 -7.384 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.143 -4.928 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.518 -6.156 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.928 -4.471 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.605 -5.843 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.621 -4.390 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.483 -5.493 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.895 -3.781 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.826 -3.583 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.186 -2.937 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.305 -4.088 -6.379 1.00 0.00 H new ATOM 642 N MET A 41 -4.802 -6.831 -10.647 1.00 0.00 N ATOM 643 CA MET A 41 -5.144 -6.974 -12.062 1.00 0.00 C ATOM 644 C MET A 41 -6.651 -7.082 -12.288 1.00 0.00 C ATOM 645 O MET A 41 -7.129 -6.853 -13.399 1.00 0.00 O ATOM 646 CB MET A 41 -4.456 -8.207 -12.657 1.00 0.00 C ATOM 647 CG MET A 41 -2.944 -8.095 -12.728 1.00 0.00 C ATOM 648 SD MET A 41 -2.169 -9.573 -13.412 1.00 0.00 S ATOM 649 CE MET A 41 -2.859 -9.590 -15.066 1.00 0.00 C ATOM 0 H MET A 41 -4.341 -7.647 -10.244 1.00 0.00 H new ATOM 0 HA MET A 41 -4.792 -6.072 -12.562 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.718 -9.080 -12.060 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.845 -8.379 -13.661 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.676 -7.233 -13.339 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.550 -7.912 -11.728 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.254 -10.232 -15.706 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.880 -9.971 -15.031 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.864 -8.577 -15.469 1.00 0.00 H new ATOM 659 N GLN A 42 -7.401 -7.411 -11.239 1.00 0.00 N ATOM 660 CA GLN A 42 -8.840 -7.650 -11.373 1.00 0.00 C ATOM 661 C GLN A 42 -9.611 -6.348 -11.571 1.00 0.00 C ATOM 662 O GLN A 42 -10.831 -6.356 -11.741 1.00 0.00 O ATOM 663 CB GLN A 42 -9.374 -8.395 -10.149 1.00 0.00 C ATOM 664 CG GLN A 42 -8.632 -9.688 -9.870 1.00 0.00 C ATOM 665 CD GLN A 42 -8.631 -10.628 -11.057 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.594 -10.692 -11.822 1.00 0.00 O ATOM 667 NE2 GLN A 42 -7.534 -11.339 -11.232 1.00 0.00 N ATOM 0 H GLN A 42 -7.041 -7.518 -10.291 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.989 -8.266 -12.260 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.302 -7.746 -9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.431 -8.614 -10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.603 -9.459 -9.592 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.089 -10.188 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.760 -11.254 -10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.459 -11.974 -12.027 1.00 0.00 H new ATOM 676 N SER A 43 -8.892 -5.234 -11.558 1.00 0.00 N ATOM 677 CA SER A 43 -9.489 -3.925 -11.783 1.00 0.00 C ATOM 678 C SER A 43 -9.705 -3.689 -13.274 1.00 0.00 C ATOM 679 O SER A 43 -10.469 -2.804 -13.671 1.00 0.00 O ATOM 680 CB SER A 43 -8.573 -2.843 -11.212 1.00 0.00 C ATOM 681 OG SER A 43 -7.264 -2.961 -11.751 1.00 0.00 O ATOM 0 H SER A 43 -7.886 -5.212 -11.392 1.00 0.00 H new ATOM 0 HA SER A 43 -10.456 -3.885 -11.282 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.979 -1.858 -11.441 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.534 -2.928 -10.126 1.00 0.00 H new ATOM 0 HG SER A 43 -6.743 -3.591 -11.210 1.00 0.00 H new ATOM 687 N SER A 44 -9.012 -4.491 -14.088 1.00 0.00 N ATOM 688 CA SER A 44 -9.055 -4.378 -15.544 1.00 0.00 C ATOM 689 C SER A 44 -8.360 -3.100 -16.015 1.00 0.00 C ATOM 690 O SER A 44 -8.515 -2.676 -17.164 1.00 0.00 O ATOM 691 CB SER A 44 -10.499 -4.441 -16.054 1.00 0.00 C ATOM 692 OG SER A 44 -11.105 -5.681 -15.707 1.00 0.00 O ATOM 0 H SER A 44 -8.404 -5.238 -13.752 1.00 0.00 H new ATOM 0 HA SER A 44 -8.514 -5.226 -15.964 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.075 -3.619 -15.630 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.513 -4.315 -17.137 1.00 0.00 H new ATOM 0 HG SER A 44 -12.026 -5.699 -16.040 1.00 0.00 H new ATOM 698 N LEU A 45 -7.577 -2.503 -15.124 1.00 0.00 N ATOM 699 CA LEU A 45 -6.766 -1.351 -15.472 1.00 0.00 C ATOM 700 C LEU A 45 -5.521 -1.812 -16.218 1.00 0.00 C ATOM 701 O LEU A 45 -5.081 -2.953 -16.049 1.00 0.00 O ATOM 702 CB LEU A 45 -6.370 -0.570 -14.215 1.00 0.00 C ATOM 703 CG LEU A 45 -7.534 0.045 -13.435 1.00 0.00 C ATOM 704 CD1 LEU A 45 -7.024 0.750 -12.188 1.00 0.00 C ATOM 705 CD2 LEU A 45 -8.313 1.017 -14.312 1.00 0.00 C ATOM 0 H LEU A 45 -7.489 -2.802 -14.153 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.348 -0.690 -16.114 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.821 -1.237 -13.551 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.685 0.228 -14.503 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.205 -0.758 -13.130 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.865 1.182 -11.645 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.509 0.032 -11.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.332 1.542 -12.475 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.137 1.444 -13.739 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.651 1.816 -14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.709 0.488 -15.178 1.00 0.00 H new ATOM 717 N PRO A 46 -4.938 -0.945 -17.061 1.00 0.00 N ATOM 718 CA PRO A 46 -3.763 -1.301 -17.852 1.00 0.00 C ATOM 719 C PRO A 46 -2.546 -1.577 -16.978 1.00 0.00 C ATOM 720 O PRO A 46 -2.351 -0.934 -15.942 1.00 0.00 O ATOM 721 CB PRO A 46 -3.523 -0.074 -18.736 1.00 0.00 C ATOM 722 CG PRO A 46 -4.205 1.049 -18.037 1.00 0.00 C ATOM 723 CD PRO A 46 -5.369 0.444 -17.304 1.00 0.00 C ATOM 0 HA PRO A 46 -3.923 -2.216 -18.422 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.458 0.124 -18.854 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.932 -0.222 -19.735 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.525 1.546 -17.345 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.543 1.802 -18.749 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.573 0.970 -16.371 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.282 0.483 -17.898 1.00 0.00 H new ATOM 731 N GLN A 47 -1.721 -2.524 -17.417 1.00 0.00 N ATOM 732 CA GLN A 47 -0.532 -2.932 -16.670 1.00 0.00 C ATOM 733 C GLN A 47 0.407 -1.755 -16.424 1.00 0.00 C ATOM 734 O GLN A 47 1.129 -1.732 -15.428 1.00 0.00 O ATOM 735 CB GLN A 47 0.211 -4.046 -17.416 1.00 0.00 C ATOM 736 CG GLN A 47 0.526 -3.706 -18.864 1.00 0.00 C ATOM 737 CD GLN A 47 1.378 -4.754 -19.543 1.00 0.00 C ATOM 738 OE1 GLN A 47 0.866 -5.715 -20.117 1.00 0.00 O ATOM 739 NE2 GLN A 47 2.685 -4.563 -19.500 1.00 0.00 N ATOM 0 H GLN A 47 -1.855 -3.028 -18.294 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.864 -3.307 -15.702 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.142 -4.264 -16.892 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.391 -4.954 -17.388 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.407 -3.590 -19.416 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.041 -2.746 -18.903 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.066 -3.752 -19.013 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.313 -5.227 -19.954 1.00 0.00 H new ATOM 748 N ALA A 48 0.383 -0.777 -17.328 1.00 0.00 N ATOM 749 CA ALA A 48 1.199 0.422 -17.183 1.00 0.00 C ATOM 750 C ALA A 48 0.871 1.143 -15.878 1.00 0.00 C ATOM 751 O ALA A 48 1.766 1.538 -15.131 1.00 0.00 O ATOM 752 CB ALA A 48 0.994 1.352 -18.369 1.00 0.00 C ATOM 0 H ALA A 48 -0.194 -0.794 -18.169 1.00 0.00 H new ATOM 0 HA ALA A 48 2.246 0.121 -17.155 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.611 2.242 -18.244 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.279 0.839 -19.287 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.055 1.643 -18.426 1.00 0.00 H new ATOM 758 N GLN A 49 -0.420 1.291 -15.598 1.00 0.00 N ATOM 759 CA GLN A 49 -0.856 1.930 -14.369 1.00 0.00 C ATOM 760 C GLN A 49 -0.622 1.001 -13.187 1.00 0.00 C ATOM 761 O GLN A 49 -0.248 1.445 -12.106 1.00 0.00 O ATOM 762 CB GLN A 49 -2.336 2.321 -14.449 1.00 0.00 C ATOM 763 CG GLN A 49 -2.659 3.253 -15.605 1.00 0.00 C ATOM 764 CD GLN A 49 -4.031 3.888 -15.489 1.00 0.00 C ATOM 765 OE1 GLN A 49 -5.024 3.336 -15.951 1.00 0.00 O ATOM 766 NE2 GLN A 49 -4.091 5.058 -14.880 1.00 0.00 N ATOM 0 H GLN A 49 -1.177 0.977 -16.205 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.271 2.839 -14.230 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.937 1.417 -14.544 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.627 2.801 -13.515 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.904 4.038 -15.653 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.600 2.697 -16.540 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.242 5.484 -14.509 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.987 5.536 -14.780 1.00 0.00 H new ATOM 775 N LEU A 50 -0.820 -0.293 -13.409 1.00 0.00 N ATOM 776 CA LEU A 50 -0.655 -1.294 -12.366 1.00 0.00 C ATOM 777 C LEU A 50 0.775 -1.309 -11.827 1.00 0.00 C ATOM 778 O LEU A 50 0.985 -1.375 -10.616 1.00 0.00 O ATOM 779 CB LEU A 50 -1.031 -2.673 -12.904 1.00 0.00 C ATOM 780 CG LEU A 50 -2.501 -2.843 -13.298 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.754 -4.245 -13.831 1.00 0.00 C ATOM 782 CD2 LEU A 50 -3.408 -2.554 -12.111 1.00 0.00 C ATOM 0 H LEU A 50 -1.098 -0.675 -14.313 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.319 -1.035 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.411 -2.886 -13.775 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.786 -3.419 -12.148 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.728 -2.128 -14.089 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.804 -4.346 -14.105 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.131 -4.418 -14.709 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.508 -4.977 -13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.449 -2.680 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.177 -3.245 -11.300 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.249 -1.530 -11.772 1.00 0.00 H new ATOM 794 N ALA A 51 1.755 -1.236 -12.725 1.00 0.00 N ATOM 795 CA ALA A 51 3.156 -1.202 -12.317 1.00 0.00 C ATOM 796 C ALA A 51 3.456 0.067 -11.531 1.00 0.00 C ATOM 797 O ALA A 51 4.211 0.043 -10.557 1.00 0.00 O ATOM 798 CB ALA A 51 4.074 -1.304 -13.524 1.00 0.00 C ATOM 0 H ALA A 51 1.606 -1.199 -13.733 1.00 0.00 H new ATOM 0 HA ALA A 51 3.340 -2.061 -11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.113 -1.276 -13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.884 -2.241 -14.047 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.885 -0.468 -14.197 1.00 0.00 H new ATOM 804 N SER A 52 2.848 1.172 -11.949 1.00 0.00 N ATOM 805 CA SER A 52 3.010 2.438 -11.257 1.00 0.00 C ATOM 806 C SER A 52 2.376 2.359 -9.871 1.00 0.00 C ATOM 807 O SER A 52 2.956 2.827 -8.892 1.00 0.00 O ATOM 808 CB SER A 52 2.387 3.574 -12.074 1.00 0.00 C ATOM 809 OG SER A 52 2.656 4.842 -11.496 1.00 0.00 O ATOM 0 H SER A 52 2.238 1.213 -12.766 1.00 0.00 H new ATOM 0 HA SER A 52 4.074 2.645 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.777 3.547 -13.092 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.309 3.426 -12.142 1.00 0.00 H new ATOM 0 HG SER A 52 2.246 5.544 -12.043 1.00 0.00 H new ATOM 815 N ILE A 53 1.192 1.753 -9.795 1.00 0.00 N ATOM 816 CA ILE A 53 0.515 1.542 -8.518 1.00 0.00 C ATOM 817 C ILE A 53 1.379 0.692 -7.600 1.00 0.00 C ATOM 818 O ILE A 53 1.576 1.038 -6.442 1.00 0.00 O ATOM 819 CB ILE A 53 -0.862 0.853 -8.702 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.815 1.763 -9.482 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.469 0.482 -7.353 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.153 1.126 -9.794 1.00 0.00 C ATOM 0 H ILE A 53 0.682 1.399 -10.604 1.00 0.00 H new ATOM 0 HA ILE A 53 0.351 2.524 -8.073 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.709 -0.064 -9.271 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.982 2.675 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.337 2.058 -10.416 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.434 0.000 -7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.802 -0.203 -6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.605 1.383 -6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.772 1.832 -10.348 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.998 0.230 -10.395 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.653 0.857 -8.864 1.00 0.00 H new ATOM 834 N TRP A 54 1.909 -0.407 -8.132 1.00 0.00 N ATOM 835 CA TRP A 54 2.754 -1.301 -7.349 1.00 0.00 C ATOM 836 C TRP A 54 3.977 -0.567 -6.817 1.00 0.00 C ATOM 837 O TRP A 54 4.294 -0.644 -5.632 1.00 0.00 O ATOM 838 CB TRP A 54 3.215 -2.498 -8.183 1.00 0.00 C ATOM 839 CG TRP A 54 4.133 -3.406 -7.422 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.497 -3.343 -7.372 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.751 -4.492 -6.579 1.00 0.00 C ATOM 842 NE1 TRP A 54 5.984 -4.326 -6.549 1.00 0.00 N ATOM 843 CE2 TRP A 54 4.931 -5.045 -6.049 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.527 -5.051 -6.219 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.920 -6.128 -5.181 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.517 -6.127 -5.357 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.707 -6.656 -4.844 1.00 0.00 C ATOM 0 H TRP A 54 1.768 -0.698 -9.099 1.00 0.00 H new ATOM 0 HA TRP A 54 2.154 -1.658 -6.512 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.344 -3.062 -8.516 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.723 -2.139 -9.078 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.103 -2.624 -7.903 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.969 -4.494 -6.343 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.603 -4.649 -6.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.838 -6.538 -4.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.574 -6.570 -5.072 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.665 -7.498 -4.169 1.00 0.00 H new ATOM 858 N ASN A 55 4.663 0.134 -7.706 1.00 0.00 N ATOM 859 CA ASN A 55 5.881 0.846 -7.340 1.00 0.00 C ATOM 860 C ASN A 55 5.578 1.904 -6.279 1.00 0.00 C ATOM 861 O ASN A 55 6.419 2.220 -5.437 1.00 0.00 O ATOM 862 CB ASN A 55 6.513 1.493 -8.575 1.00 0.00 C ATOM 863 CG ASN A 55 7.975 1.850 -8.366 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.671 1.064 -7.559 1.00 0.00 O flip ATOM 865 ND2 ASN A 55 8.480 2.816 -8.938 1.00 0.00 N flip ATOM 0 H ASN A 55 4.398 0.226 -8.687 1.00 0.00 H new ATOM 0 HA ASN A 55 6.590 0.130 -6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.427 0.812 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.956 2.394 -8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.912 3.399 -9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.467 3.033 -8.797 1.00 0.00 H new ATOM 872 N LEU A 56 4.368 2.449 -6.342 1.00 0.00 N ATOM 873 CA LEU A 56 3.887 3.396 -5.347 1.00 0.00 C ATOM 874 C LEU A 56 3.521 2.694 -4.036 1.00 0.00 C ATOM 875 O LEU A 56 3.776 3.220 -2.951 1.00 0.00 O ATOM 876 CB LEU A 56 2.673 4.157 -5.891 1.00 0.00 C ATOM 877 CG LEU A 56 2.982 5.188 -6.982 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.701 5.827 -7.495 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.935 6.252 -6.461 1.00 0.00 C ATOM 0 H LEU A 56 3.696 2.247 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 56 4.692 4.100 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.960 3.435 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.182 4.666 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 56 3.464 4.671 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.942 6.556 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.052 5.057 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.189 6.327 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.141 6.974 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.481 6.763 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.867 5.783 -6.146 1.00 0.00 H new ATOM 891 N SER A 57 2.927 1.507 -4.144 1.00 0.00 N ATOM 892 CA SER A 57 2.413 0.794 -2.981 1.00 0.00 C ATOM 893 C SER A 57 3.520 0.106 -2.185 1.00 0.00 C ATOM 894 O SER A 57 3.502 0.129 -0.962 1.00 0.00 O ATOM 895 CB SER A 57 1.351 -0.225 -3.411 1.00 0.00 C ATOM 896 OG SER A 57 1.862 -1.154 -4.353 1.00 0.00 O ATOM 0 H SER A 57 2.790 1.019 -5.029 1.00 0.00 H new ATOM 0 HA SER A 57 1.958 1.534 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.985 -0.760 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.499 0.299 -3.843 1.00 0.00 H new ATOM 0 HG SER A 57 2.770 -0.892 -4.611 1.00 0.00 H new ATOM 902 N ASP A 58 4.474 -0.506 -2.875 1.00 0.00 N ATOM 903 CA ASP A 58 5.573 -1.195 -2.197 1.00 0.00 C ATOM 904 C ASP A 58 6.673 -0.194 -1.867 1.00 0.00 C ATOM 905 O ASP A 58 7.450 0.199 -2.742 1.00 0.00 O ATOM 906 CB ASP A 58 6.125 -2.339 -3.069 1.00 0.00 C ATOM 907 CG ASP A 58 7.137 -3.223 -2.344 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.480 -2.923 -1.182 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.604 -4.225 -2.944 1.00 0.00 O ATOM 0 H ASP A 58 4.513 -0.542 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 58 5.198 -1.634 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.295 -2.957 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.595 -1.915 -3.956 1.00 0.00 H new ATOM 914 N ILE A 59 6.716 0.240 -0.612 1.00 0.00 N ATOM 915 CA ILE A 59 7.690 1.230 -0.174 1.00 0.00 C ATOM 916 C ILE A 59 9.080 0.614 -0.078 1.00 0.00 C ATOM 917 O ILE A 59 10.063 1.191 -0.551 1.00 0.00 O ATOM 918 CB ILE A 59 7.324 1.852 1.201 1.00 0.00 C ATOM 919 CG1 ILE A 59 6.091 2.755 1.099 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.494 2.647 1.764 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.778 2.017 0.996 1.00 0.00 C ATOM 0 H ILE A 59 6.084 -0.081 0.122 1.00 0.00 H new ATOM 0 HA ILE A 59 7.681 2.021 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 59 7.093 1.028 1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.060 3.405 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.200 3.399 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.214 3.073 2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.352 1.988 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.754 3.450 1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.961 2.735 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.783 1.388 0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.641 1.394 1.880 1.00 0.00 H new ATOM 933 N ASP A 60 9.157 -0.565 0.522 1.00 0.00 N ATOM 934 CA ASP A 60 10.444 -1.200 0.779 1.00 0.00 C ATOM 935 C ASP A 60 10.993 -1.821 -0.500 1.00 0.00 C ATOM 936 O ASP A 60 12.210 -1.950 -0.669 1.00 0.00 O ATOM 937 CB ASP A 60 10.314 -2.256 1.878 1.00 0.00 C ATOM 938 CG ASP A 60 11.662 -2.673 2.444 1.00 0.00 C ATOM 939 OD1 ASP A 60 12.277 -1.867 3.182 1.00 0.00 O ATOM 940 OD2 ASP A 60 12.111 -3.801 2.160 1.00 0.00 O ATOM 0 H ASP A 60 8.349 -1.100 0.839 1.00 0.00 H new ATOM 0 HA ASP A 60 11.144 -0.437 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.691 -1.865 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.804 -3.132 1.477 1.00 0.00 H new ATOM 945 N GLN A 61 10.080 -2.180 -1.397 1.00 0.00 N ATOM 946 CA GLN A 61 10.416 -2.715 -2.711 1.00 0.00 C ATOM 947 C GLN A 61 11.128 -4.055 -2.604 1.00 0.00 C ATOM 948 O GLN A 61 12.338 -4.154 -2.814 1.00 0.00 O ATOM 949 CB GLN A 61 11.255 -1.726 -3.527 1.00 0.00 C ATOM 950 CG GLN A 61 10.514 -0.449 -3.887 1.00 0.00 C ATOM 951 CD GLN A 61 11.326 0.465 -4.784 1.00 0.00 C ATOM 952 OE1 GLN A 61 12.149 0.007 -5.575 1.00 0.00 O ATOM 953 NE2 GLN A 61 11.102 1.761 -4.665 1.00 0.00 N ATOM 0 H GLN A 61 9.076 -2.107 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 61 9.475 -2.873 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.150 -1.469 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.587 -2.214 -4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.579 -0.704 -4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.252 0.084 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.410 2.100 -3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.621 2.423 -5.242 1.00 0.00 H new ATOM 962 N ASP A 62 10.364 -5.077 -2.256 1.00 0.00 N ATOM 963 CA ASP A 62 10.872 -6.445 -2.199 1.00 0.00 C ATOM 964 C ASP A 62 10.061 -7.344 -3.120 1.00 0.00 C ATOM 965 O ASP A 62 10.549 -8.364 -3.609 1.00 0.00 O ATOM 966 CB ASP A 62 10.834 -6.985 -0.760 1.00 0.00 C ATOM 967 CG ASP A 62 11.032 -8.494 -0.679 1.00 0.00 C ATOM 968 OD1 ASP A 62 12.083 -8.997 -1.132 1.00 0.00 O ATOM 969 OD2 ASP A 62 10.130 -9.186 -0.161 1.00 0.00 O ATOM 0 H ASP A 62 9.379 -4.987 -2.006 1.00 0.00 H new ATOM 0 HA ASP A 62 11.910 -6.439 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.609 -6.492 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.877 -6.726 -0.307 1.00 0.00 H new ATOM 974 N GLY A 63 8.832 -6.938 -3.387 1.00 0.00 N ATOM 975 CA GLY A 63 7.938 -7.768 -4.153 1.00 0.00 C ATOM 976 C GLY A 63 6.829 -8.320 -3.291 1.00 0.00 C ATOM 977 O GLY A 63 6.360 -9.433 -3.508 1.00 0.00 O ATOM 0 H GLY A 63 8.439 -6.046 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.511 -7.188 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.496 -8.590 -4.602 1.00 0.00 H new ATOM 981 N LYS A 64 6.430 -7.538 -2.295 1.00 0.00 N ATOM 982 CA LYS A 64 5.337 -7.900 -1.405 1.00 0.00 C ATOM 983 C LYS A 64 4.523 -6.663 -1.063 1.00 0.00 C ATOM 984 O LYS A 64 4.920 -5.547 -1.387 1.00 0.00 O ATOM 985 CB LYS A 64 5.868 -8.539 -0.114 1.00 0.00 C ATOM 986 CG LYS A 64 6.605 -9.849 -0.329 1.00 0.00 C ATOM 987 CD LYS A 64 7.138 -10.410 0.976 1.00 0.00 C ATOM 988 CE LYS A 64 7.913 -11.698 0.754 1.00 0.00 C ATOM 989 NZ LYS A 64 8.961 -11.535 -0.286 1.00 0.00 N ATOM 0 H LYS A 64 6.856 -6.636 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 64 4.706 -8.627 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.538 -7.834 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.032 -8.712 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.934 -10.573 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.431 -9.693 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.784 -9.673 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.309 -10.596 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.375 -12.011 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.226 -12.490 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.546 -12.394 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.511 -11.377 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.561 -10.719 -0.049 1.00 0.00 H new ATOM 1003 N LEU A 65 3.387 -6.866 -0.419 1.00 0.00 N ATOM 1004 CA LEU A 65 2.549 -5.762 0.023 1.00 0.00 C ATOM 1005 C LEU A 65 2.020 -6.024 1.419 1.00 0.00 C ATOM 1006 O LEU A 65 1.274 -6.983 1.636 1.00 0.00 O ATOM 1007 CB LEU A 65 1.376 -5.535 -0.942 1.00 0.00 C ATOM 1008 CG LEU A 65 1.700 -4.724 -2.200 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.426 -4.386 -2.960 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.451 -3.452 -1.840 1.00 0.00 C ATOM 0 H LEU A 65 3.021 -7.790 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 65 3.165 -4.863 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.988 -6.506 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.577 -5.028 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 65 2.338 -5.332 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.676 -3.810 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.078 -5.307 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.234 -3.799 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.672 -2.890 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.837 -2.843 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.383 -3.710 -1.337 1.00 0.00 H new ATOM 1022 N THR A 66 2.421 -5.195 2.371 1.00 0.00 N ATOM 1023 CA THR A 66 1.883 -5.288 3.715 1.00 0.00 C ATOM 1024 C THR A 66 0.449 -4.774 3.730 1.00 0.00 C ATOM 1025 O THR A 66 -0.052 -4.282 2.714 1.00 0.00 O ATOM 1026 CB THR A 66 2.713 -4.481 4.733 1.00 0.00 C ATOM 1027 OG1 THR A 66 2.749 -3.105 4.356 1.00 0.00 O ATOM 1028 CG2 THR A 66 4.135 -5.011 4.844 1.00 0.00 C ATOM 0 H THR A 66 3.112 -4.457 2.237 1.00 0.00 H new ATOM 0 HA THR A 66 1.919 -6.338 4.006 1.00 0.00 H new ATOM 0 HB THR A 66 2.232 -4.586 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.645 -2.744 4.522 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.689 -4.417 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.111 -6.051 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.625 -4.945 3.872 1.00 0.00 H new ATOM 1036 N ALA A 67 -0.205 -4.876 4.874 1.00 0.00 N ATOM 1037 CA ALA A 67 -1.577 -4.412 5.000 1.00 0.00 C ATOM 1038 C ALA A 67 -1.671 -2.924 4.690 1.00 0.00 C ATOM 1039 O ALA A 67 -2.539 -2.485 3.939 1.00 0.00 O ATOM 1040 CB ALA A 67 -2.118 -4.707 6.393 1.00 0.00 C ATOM 0 H ALA A 67 0.189 -5.274 5.726 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.188 -4.951 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.146 -4.352 6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.091 -5.782 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.504 -4.199 7.137 1.00 0.00 H new ATOM 1046 N GLU A 68 -0.742 -2.165 5.243 1.00 0.00 N ATOM 1047 CA GLU A 68 -0.715 -0.723 5.064 1.00 0.00 C ATOM 1048 C GLU A 68 -0.432 -0.348 3.607 1.00 0.00 C ATOM 1049 O GLU A 68 -1.008 0.602 3.077 1.00 0.00 O ATOM 1050 CB GLU A 68 0.336 -0.126 6.004 1.00 0.00 C ATOM 1051 CG GLU A 68 0.013 -0.356 7.475 1.00 0.00 C ATOM 1052 CD GLU A 68 1.240 -0.362 8.367 1.00 0.00 C ATOM 1053 OE1 GLU A 68 1.979 -1.368 8.355 1.00 0.00 O ATOM 1054 OE2 GLU A 68 1.453 0.618 9.112 1.00 0.00 O ATOM 0 H GLU A 68 0.012 -2.528 5.826 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.694 -0.313 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.309 -0.563 5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.417 0.945 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.671 0.422 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.509 -1.307 7.580 1.00 0.00 H new ATOM 1061 N GLU A 69 0.435 -1.108 2.954 1.00 0.00 N ATOM 1062 CA GLU A 69 0.825 -0.807 1.582 1.00 0.00 C ATOM 1063 C GLU A 69 -0.275 -1.187 0.593 1.00 0.00 C ATOM 1064 O GLU A 69 -0.569 -0.448 -0.349 1.00 0.00 O ATOM 1065 CB GLU A 69 2.120 -1.537 1.242 1.00 0.00 C ATOM 1066 CG GLU A 69 3.299 -1.094 2.090 1.00 0.00 C ATOM 1067 CD GLU A 69 4.528 -1.944 1.868 1.00 0.00 C ATOM 1068 OE1 GLU A 69 4.475 -3.153 2.191 1.00 0.00 O ATOM 1069 OE2 GLU A 69 5.546 -1.412 1.380 1.00 0.00 O ATOM 0 H GLU A 69 0.881 -1.935 3.350 1.00 0.00 H new ATOM 0 HA GLU A 69 0.985 0.268 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.970 -2.609 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.356 -1.374 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.535 -0.055 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.020 -1.134 3.143 1.00 0.00 H new ATOM 1076 N PHE A 70 -0.881 -2.343 0.822 1.00 0.00 N ATOM 1077 CA PHE A 70 -1.912 -2.873 -0.063 1.00 0.00 C ATOM 1078 C PHE A 70 -3.157 -1.973 -0.036 1.00 0.00 C ATOM 1079 O PHE A 70 -3.804 -1.774 -1.067 1.00 0.00 O ATOM 1080 CB PHE A 70 -2.241 -4.308 0.367 1.00 0.00 C ATOM 1081 CG PHE A 70 -2.964 -5.171 -0.646 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -3.991 -4.673 -1.432 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -2.639 -6.515 -0.761 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -4.680 -5.495 -2.306 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -3.318 -7.338 -1.639 1.00 0.00 C ATOM 1086 CZ PHE A 70 -4.342 -6.829 -2.409 1.00 0.00 C ATOM 0 H PHE A 70 -0.674 -2.939 1.623 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.551 -2.888 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.309 -4.806 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.849 -4.262 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.257 -3.629 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.844 -6.924 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.482 -5.093 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.047 -8.380 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.878 -7.472 -3.091 1.00 0.00 H new ATOM 1096 N ILE A 71 -3.480 -1.409 1.135 1.00 0.00 N ATOM 1097 CA ILE A 71 -4.587 -0.448 1.239 1.00 0.00 C ATOM 1098 C ILE A 71 -4.369 0.704 0.263 1.00 0.00 C ATOM 1099 O ILE A 71 -5.280 1.098 -0.471 1.00 0.00 O ATOM 1100 CB ILE A 71 -4.733 0.145 2.661 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -5.096 -0.938 3.669 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -5.788 1.247 2.682 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -5.228 -0.436 5.092 1.00 0.00 C ATOM 0 H ILE A 71 -2.998 -1.598 2.014 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.498 -0.998 1.002 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.771 0.573 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.037 -1.399 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.335 -1.718 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.874 1.649 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.496 2.043 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.749 0.837 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.488 -1.267 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.282 -0.002 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.010 0.322 5.139 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.147 1.226 0.257 1.00 0.00 N ATOM 1116 CA LEU A 72 -2.779 2.320 -0.628 1.00 0.00 C ATOM 1117 C LEU A 72 -2.983 1.914 -2.085 1.00 0.00 C ATOM 1118 O LEU A 72 -3.530 2.678 -2.879 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.319 2.718 -0.395 1.00 0.00 C ATOM 1120 CG LEU A 72 -0.797 3.859 -1.273 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.548 5.150 -0.972 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.699 4.041 -1.060 1.00 0.00 C ATOM 0 H LEU A 72 -2.391 0.904 0.861 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.418 3.175 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.201 3.004 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.692 1.842 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.968 3.604 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.164 5.950 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.610 5.008 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.408 5.417 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.060 4.855 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.891 4.279 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.219 3.120 -1.324 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.560 0.696 -2.413 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.685 0.166 -3.769 1.00 0.00 C ATOM 1136 C ALA A 73 -4.140 0.125 -4.216 1.00 0.00 C ATOM 1137 O ALA A 73 -4.480 0.626 -5.286 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.069 -1.224 -3.856 1.00 0.00 C ATOM 0 H ALA A 73 -2.124 0.052 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.145 0.835 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.171 -1.604 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.013 -1.171 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.582 -1.893 -3.165 1.00 0.00 H new ATOM 1144 N MET A 74 -5.003 -0.460 -3.393 1.00 0.00 N ATOM 1145 CA MET A 74 -6.421 -0.553 -3.726 1.00 0.00 C ATOM 1146 C MET A 74 -7.044 0.833 -3.853 1.00 0.00 C ATOM 1147 O MET A 74 -7.941 1.051 -4.667 1.00 0.00 O ATOM 1148 CB MET A 74 -7.182 -1.367 -2.679 1.00 0.00 C ATOM 1149 CG MET A 74 -6.801 -2.837 -2.652 1.00 0.00 C ATOM 1150 SD MET A 74 -7.838 -3.801 -1.534 1.00 0.00 S ATOM 1151 CE MET A 74 -9.419 -3.721 -2.372 1.00 0.00 C ATOM 0 H MET A 74 -4.749 -0.875 -2.496 1.00 0.00 H new ATOM 0 HA MET A 74 -6.497 -1.063 -4.686 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.001 -0.936 -1.694 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.251 -1.282 -2.872 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.879 -3.247 -3.659 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.759 -2.933 -2.348 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.106 -4.439 -1.923 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.831 -2.716 -2.277 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.284 -3.959 -3.427 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.562 1.769 -3.045 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.063 3.134 -3.085 1.00 0.00 C ATOM 1163 C HIS A 75 -6.646 3.820 -4.384 1.00 0.00 C ATOM 1164 O HIS A 75 -7.423 4.565 -4.976 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.559 3.923 -1.873 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.161 5.290 -1.753 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.507 5.501 -1.544 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.598 6.523 -1.823 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.746 6.794 -1.498 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.609 7.436 -1.662 1.00 0.00 N ATOM 0 H HIS A 75 -5.827 1.607 -2.357 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.152 3.104 -3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.777 3.358 -0.966 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.475 4.017 -1.937 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -9.209 4.768 -1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.552 6.744 -1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.713 7.252 -1.350 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.421 3.553 -4.826 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.922 4.105 -6.082 1.00 0.00 C ATOM 1181 C LEU A 76 -5.728 3.561 -7.257 1.00 0.00 C ATOM 1182 O LEU A 76 -5.986 4.274 -8.225 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.440 3.772 -6.270 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.496 4.357 -5.215 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.071 3.882 -5.452 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.558 5.877 -5.227 1.00 0.00 C ATOM 0 H LEU A 76 -4.755 2.958 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.034 5.189 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.326 2.688 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.127 4.129 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.818 4.006 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.415 4.308 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.036 2.794 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.740 4.203 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.881 6.275 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.262 6.245 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.576 6.201 -5.009 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.125 2.295 -7.153 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.961 1.660 -8.167 1.00 0.00 C ATOM 1200 C ILE A 77 -8.271 2.421 -8.344 1.00 0.00 C ATOM 1201 O ILE A 77 -8.654 2.756 -9.462 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.276 0.193 -7.797 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.998 -0.647 -7.815 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.316 -0.393 -8.742 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -6.215 -2.091 -7.412 1.00 0.00 C ATOM 0 H ILE A 77 -5.879 1.686 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.401 1.677 -9.102 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.688 0.175 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.569 -0.619 -8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.268 -0.197 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.521 -1.426 -8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.235 0.190 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.937 -0.363 -9.764 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.266 -2.625 -7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.615 -2.130 -6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.921 -2.558 -8.099 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.939 2.702 -7.230 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.226 3.397 -7.261 1.00 0.00 C ATOM 1219 C ASP A 78 -10.068 4.794 -7.865 1.00 0.00 C ATOM 1220 O ASP A 78 -10.935 5.263 -8.605 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.819 3.490 -5.848 1.00 0.00 C ATOM 1222 CG ASP A 78 -12.244 4.015 -5.833 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.426 5.248 -5.771 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -13.188 3.194 -5.863 1.00 0.00 O ATOM 0 H ASP A 78 -8.613 2.460 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.910 2.825 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.797 2.503 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.192 4.141 -5.239 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.948 5.442 -7.564 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.654 6.764 -8.112 1.00 0.00 C ATOM 1231 C VAL A 79 -8.421 6.687 -9.621 1.00 0.00 C ATOM 1232 O VAL A 79 -8.996 7.465 -10.388 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.416 7.392 -7.435 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -7.074 8.743 -8.051 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.641 7.540 -5.936 1.00 0.00 C ATOM 0 H VAL A 79 -8.227 5.074 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.520 7.395 -7.912 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.573 6.721 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.198 9.159 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.861 8.616 -9.112 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.918 9.422 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.757 7.984 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.503 8.183 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.823 6.559 -5.497 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.589 5.740 -10.043 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.300 5.553 -11.460 1.00 0.00 C ATOM 1247 C ALA A 80 -8.566 5.183 -12.225 1.00 0.00 C ATOM 1248 O ALA A 80 -8.819 5.692 -13.316 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.232 4.484 -11.644 1.00 0.00 C ATOM 0 H ALA A 80 -7.103 5.091 -9.424 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.924 6.494 -11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.026 4.355 -12.707 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.319 4.789 -11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.585 3.541 -11.225 1.00 0.00 H new ATOM 1255 N MET A 81 -9.370 4.309 -11.628 1.00 0.00 N ATOM 1256 CA MET A 81 -10.630 3.878 -12.205 1.00 0.00 C ATOM 1257 C MET A 81 -11.601 5.051 -12.344 1.00 0.00 C ATOM 1258 O MET A 81 -12.526 5.019 -13.153 1.00 0.00 O ATOM 1259 CB MET A 81 -11.222 2.807 -11.297 1.00 0.00 C ATOM 1260 CG MET A 81 -11.977 1.721 -12.027 1.00 0.00 C ATOM 1261 SD MET A 81 -13.639 2.216 -12.526 1.00 0.00 S ATOM 1262 CE MET A 81 -14.198 0.729 -13.355 1.00 0.00 C ATOM 0 H MET A 81 -9.161 3.880 -10.726 1.00 0.00 H new ATOM 0 HA MET A 81 -10.458 3.478 -13.204 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.417 2.350 -10.721 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.894 3.283 -10.583 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.412 1.428 -12.912 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.045 0.842 -11.386 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.214 0.877 -13.722 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.538 0.510 -14.194 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.183 -0.106 -12.654 1.00 0.00 H new ATOM 1272 N SER A 82 -11.368 6.095 -11.560 1.00 0.00 N ATOM 1273 CA SER A 82 -12.226 7.273 -11.563 1.00 0.00 C ATOM 1274 C SER A 82 -11.901 8.179 -12.754 1.00 0.00 C ATOM 1275 O SER A 82 -12.571 9.188 -12.978 1.00 0.00 O ATOM 1276 CB SER A 82 -12.060 8.040 -10.243 1.00 0.00 C ATOM 1277 OG SER A 82 -13.019 9.079 -10.107 1.00 0.00 O ATOM 0 H SER A 82 -10.585 6.150 -10.908 1.00 0.00 H new ATOM 0 HA SER A 82 -13.263 6.950 -11.659 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.155 7.347 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.057 8.464 -10.194 1.00 0.00 H new ATOM 0 HG SER A 82 -13.298 9.385 -10.995 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.873 7.812 -13.509 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.486 8.594 -14.666 1.00 0.00 C ATOM 1285 C GLY A 83 -9.298 9.486 -14.378 1.00 0.00 C ATOM 1286 O GLY A 83 -8.841 10.230 -15.244 1.00 0.00 O ATOM 0 H GLY A 83 -10.300 6.985 -13.340 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.244 7.924 -15.491 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.329 9.206 -14.988 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.802 9.410 -13.153 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.672 10.214 -12.738 1.00 0.00 C ATOM 1292 C GLN A 84 -6.369 9.462 -12.967 1.00 0.00 C ATOM 1293 O GLN A 84 -6.318 8.239 -12.830 1.00 0.00 O ATOM 1294 CB GLN A 84 -7.807 10.579 -11.259 1.00 0.00 C ATOM 1295 CG GLN A 84 -8.979 11.495 -10.957 1.00 0.00 C ATOM 1296 CD GLN A 84 -8.850 12.841 -11.643 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -9.301 13.019 -12.773 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -8.235 13.800 -10.967 1.00 0.00 N ATOM 0 H GLN A 84 -9.170 8.794 -12.427 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.658 11.126 -13.334 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.914 9.664 -10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.887 11.061 -10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.904 11.015 -11.276 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.052 11.644 -9.880 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.874 13.614 -10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.122 14.725 -11.382 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.305 10.178 -13.345 1.00 0.00 N ATOM 1308 CA PRO A 85 -3.972 9.601 -13.461 1.00 0.00 C ATOM 1309 C PRO A 85 -3.287 9.492 -12.102 1.00 0.00 C ATOM 1310 O PRO A 85 -3.812 9.961 -11.088 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.243 10.597 -14.360 1.00 0.00 C ATOM 1312 CG PRO A 85 -3.885 11.908 -14.060 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.321 11.608 -13.707 1.00 0.00 C ATOM 0 HA PRO A 85 -3.984 8.586 -13.858 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.175 10.619 -14.144 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.350 10.334 -15.412 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.379 12.409 -13.235 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.828 12.575 -14.921 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.666 12.226 -12.878 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.988 11.800 -14.548 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.120 8.875 -12.078 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.369 8.737 -10.844 1.00 0.00 C ATOM 1323 C LEU A 86 -0.325 9.841 -10.746 1.00 0.00 C ATOM 1324 O LEU A 86 0.262 10.239 -11.753 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.696 7.363 -10.778 1.00 0.00 C ATOM 1326 CG LEU A 86 -1.651 6.168 -10.818 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -0.873 4.863 -10.838 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.599 6.200 -9.626 1.00 0.00 C ATOM 0 H LEU A 86 -1.673 8.462 -12.897 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.057 8.824 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.002 7.278 -11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.108 7.308 -9.862 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.241 6.233 -11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.569 4.025 -10.866 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.234 4.834 -11.720 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.257 4.793 -9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.270 5.342 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.023 6.161 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.183 7.120 -9.650 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.091 10.357 -9.534 1.00 0.00 N ATOM 1341 CA PRO A 87 0.892 11.410 -9.302 1.00 0.00 C ATOM 1342 C PRO A 87 2.322 10.888 -9.375 1.00 0.00 C ATOM 1343 O PRO A 87 2.571 9.706 -9.129 1.00 0.00 O ATOM 1344 CB PRO A 87 0.583 11.901 -7.878 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.685 11.222 -7.469 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.783 9.977 -8.299 1.00 0.00 C ATOM 0 HA PRO A 87 0.825 12.193 -10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.396 11.652 -7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.469 12.985 -7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.671 10.981 -6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.545 11.870 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.305 9.127 -7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.819 9.696 -8.486 1.00 0.00 H new ATOM 1354 N PRO A 88 3.281 11.768 -9.709 1.00 0.00 N ATOM 1355 CA PRO A 88 4.701 11.407 -9.769 1.00 0.00 C ATOM 1356 C PRO A 88 5.290 11.202 -8.377 1.00 0.00 C ATOM 1357 O PRO A 88 6.290 10.506 -8.202 1.00 0.00 O ATOM 1358 CB PRO A 88 5.344 12.614 -10.454 1.00 0.00 C ATOM 1359 CG PRO A 88 4.442 13.756 -10.143 1.00 0.00 C ATOM 1360 CD PRO A 88 3.054 13.181 -10.076 1.00 0.00 C ATOM 0 HA PRO A 88 4.870 10.468 -10.296 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.351 12.792 -10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.429 12.459 -11.530 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.717 14.224 -9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.509 14.526 -10.911 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.443 13.695 -9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.537 13.269 -11.032 1.00 0.00 H new ATOM 1368 N VAL A 89 4.662 11.833 -7.395 1.00 0.00 N ATOM 1369 CA VAL A 89 5.053 11.700 -6.003 1.00 0.00 C ATOM 1370 C VAL A 89 3.808 11.577 -5.138 1.00 0.00 C ATOM 1371 O VAL A 89 2.762 12.142 -5.461 1.00 0.00 O ATOM 1372 CB VAL A 89 5.897 12.905 -5.520 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.287 12.891 -6.150 1.00 0.00 C ATOM 1374 CG2 VAL A 89 5.179 14.220 -5.812 1.00 0.00 C ATOM 0 H VAL A 89 3.865 12.452 -7.544 1.00 0.00 H new ATOM 0 HA VAL A 89 5.669 10.805 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 89 6.020 12.818 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.857 13.749 -5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.803 11.972 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.195 12.943 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.790 15.053 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.014 14.314 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.219 14.233 -5.295 1.00 0.00 H new ATOM 1384 N LEU A 90 3.906 10.824 -4.058 1.00 0.00 N ATOM 1385 CA LEU A 90 2.779 10.669 -3.154 1.00 0.00 C ATOM 1386 C LEU A 90 2.893 11.694 -2.032 1.00 0.00 C ATOM 1387 O LEU A 90 3.996 11.982 -1.564 1.00 0.00 O ATOM 1388 CB LEU A 90 2.764 9.247 -2.577 1.00 0.00 C ATOM 1389 CG LEU A 90 1.477 8.844 -1.854 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.332 8.671 -2.846 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.699 7.570 -1.056 1.00 0.00 C ATOM 0 H LEU A 90 4.746 10.314 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 90 1.848 10.832 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.940 8.542 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.598 9.147 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 90 1.204 9.641 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.573 8.384 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.161 9.611 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.589 7.894 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.776 7.294 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.996 6.766 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.485 7.735 -0.319 1.00 0.00 H new ATOM 1403 N PRO A 91 1.768 12.277 -1.595 1.00 0.00 N ATOM 1404 CA PRO A 91 1.755 13.209 -0.469 1.00 0.00 C ATOM 1405 C PRO A 91 1.873 12.482 0.866 1.00 0.00 C ATOM 1406 O PRO A 91 1.457 11.330 0.988 1.00 0.00 O ATOM 1407 CB PRO A 91 0.383 13.898 -0.574 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.209 13.440 -1.870 1.00 0.00 C ATOM 1409 CD PRO A 91 0.436 12.124 -2.184 1.00 0.00 C ATOM 0 HA PRO A 91 2.594 13.904 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.256 13.625 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.488 14.983 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.291 13.333 -1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.020 14.165 -2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.109 11.289 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.485 11.942 -3.258 1.00 0.00 H new ATOM 1417 N PRO A 92 2.421 13.159 1.891 1.00 0.00 N ATOM 1418 CA PRO A 92 2.606 12.575 3.226 1.00 0.00 C ATOM 1419 C PRO A 92 1.297 12.099 3.840 1.00 0.00 C ATOM 1420 O PRO A 92 1.265 11.089 4.538 1.00 0.00 O ATOM 1421 CB PRO A 92 3.196 13.725 4.047 1.00 0.00 C ATOM 1422 CG PRO A 92 3.795 14.646 3.044 1.00 0.00 C ATOM 1423 CD PRO A 92 2.927 14.542 1.823 1.00 0.00 C ATOM 0 HA PRO A 92 3.242 11.690 3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.426 14.227 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.947 13.364 4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.821 15.669 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.823 14.363 2.818 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.116 15.270 1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.494 14.720 0.909 1.00 0.00 H new ATOM 1431 N GLU A 93 0.219 12.827 3.563 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.106 12.474 4.067 1.00 0.00 C ATOM 1433 C GLU A 93 -1.501 11.068 3.630 1.00 0.00 C ATOM 1434 O GLU A 93 -2.161 10.340 4.369 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.176 13.456 3.570 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.935 14.911 3.944 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.916 15.585 3.054 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -1.307 16.118 1.997 1.00 0.00 O ATOM 1439 OE2 GLU A 93 0.282 15.571 3.400 1.00 0.00 O ATOM 0 H GLU A 93 0.237 13.670 2.989 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.050 12.521 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.241 13.381 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.143 13.149 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.877 15.456 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.598 14.964 4.979 1.00 0.00 H new ATOM 1446 N TYR A 94 -1.079 10.691 2.432 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.500 9.435 1.831 1.00 0.00 C ATOM 1448 C TYR A 94 -0.476 8.330 2.067 1.00 0.00 C ATOM 1449 O TYR A 94 -0.692 7.185 1.674 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.737 9.623 0.330 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.903 10.529 0.008 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -2.783 11.911 0.091 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -4.127 9.999 -0.376 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -3.850 12.739 -0.200 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -5.198 10.820 -0.669 1.00 0.00 C ATOM 1456 CZ TYR A 94 -5.056 12.189 -0.579 1.00 0.00 C ATOM 1457 OH TYR A 94 -6.122 13.008 -0.867 1.00 0.00 O ATOM 0 H TYR A 94 -0.442 11.240 1.855 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.432 9.132 2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.834 10.033 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.909 8.648 -0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.840 12.345 0.388 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.244 8.928 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.740 13.811 -0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.143 10.392 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.896 12.462 -1.118 1.00 0.00 H new ATOM 1467 N ILE A 95 0.631 8.671 2.715 1.00 0.00 N ATOM 1468 CA ILE A 95 1.668 7.693 3.006 1.00 0.00 C ATOM 1469 C ILE A 95 1.275 6.855 4.219 1.00 0.00 C ATOM 1470 O ILE A 95 0.985 7.397 5.289 1.00 0.00 O ATOM 1471 CB ILE A 95 3.036 8.369 3.259 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.484 9.139 2.012 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.084 7.334 3.647 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.794 9.879 2.187 1.00 0.00 C ATOM 0 H ILE A 95 0.832 9.614 3.047 1.00 0.00 H new ATOM 0 HA ILE A 95 1.767 7.048 2.133 1.00 0.00 H new ATOM 0 HB ILE A 95 2.926 9.071 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.580 8.441 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.707 9.854 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.039 7.830 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.770 6.822 4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.194 6.608 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.044 10.399 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.698 10.603 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.584 9.168 2.428 1.00 0.00 H new ATOM 1486 N PRO A 96 1.241 5.522 4.055 1.00 0.00 N ATOM 1487 CA PRO A 96 0.891 4.594 5.135 1.00 0.00 C ATOM 1488 C PRO A 96 1.877 4.660 6.301 1.00 0.00 C ATOM 1489 O PRO A 96 3.031 5.059 6.127 1.00 0.00 O ATOM 1490 CB PRO A 96 0.954 3.214 4.465 1.00 0.00 C ATOM 1491 CG PRO A 96 1.800 3.408 3.257 1.00 0.00 C ATOM 1492 CD PRO A 96 1.535 4.813 2.800 1.00 0.00 C ATOM 0 HA PRO A 96 -0.082 4.828 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.387 2.470 5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.041 2.860 4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.855 3.264 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.544 2.688 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.398 5.240 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.697 4.859 2.105 1.00 0.00 H new ATOM 1500 N PRO A 97 1.430 4.279 7.508 1.00 0.00 N ATOM 1501 CA PRO A 97 2.289 4.243 8.694 1.00 0.00 C ATOM 1502 C PRO A 97 3.407 3.209 8.557 1.00 0.00 C ATOM 1503 O PRO A 97 3.470 2.482 7.563 1.00 0.00 O ATOM 1504 CB PRO A 97 1.333 3.858 9.831 1.00 0.00 C ATOM 1505 CG PRO A 97 -0.036 4.091 9.292 1.00 0.00 C ATOM 1506 CD PRO A 97 0.059 3.852 7.814 1.00 0.00 C ATOM 0 HA PRO A 97 2.793 5.195 8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.469 2.817 10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.514 4.464 10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.757 3.415 9.752 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.371 5.106 9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.105 2.804 7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.679 4.433 7.261 1.00 0.00 H new ATOM 1514 N SER A 98 4.286 3.162 9.559 1.00 0.00 N ATOM 1515 CA SER A 98 5.438 2.252 9.576 1.00 0.00 C ATOM 1516 C SER A 98 6.490 2.654 8.538 1.00 0.00 C ATOM 1517 O SER A 98 7.633 2.961 8.881 1.00 0.00 O ATOM 1518 CB SER A 98 4.995 0.801 9.349 1.00 0.00 C ATOM 1519 OG SER A 98 3.952 0.442 10.241 1.00 0.00 O ATOM 0 H SER A 98 4.221 3.755 10.386 1.00 0.00 H new ATOM 0 HA SER A 98 5.894 2.327 10.563 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.657 0.677 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.844 0.132 9.489 1.00 0.00 H new ATOM 0 HG SER A 98 3.085 0.616 9.818 1.00 0.00 H new ATOM 1525 N PHE A 99 6.089 2.683 7.277 1.00 0.00 N ATOM 1526 CA PHE A 99 7.001 2.953 6.174 1.00 0.00 C ATOM 1527 C PHE A 99 7.185 4.453 5.949 1.00 0.00 C ATOM 1528 O PHE A 99 7.663 4.871 4.897 1.00 0.00 O ATOM 1529 CB PHE A 99 6.483 2.293 4.894 1.00 0.00 C ATOM 1530 CG PHE A 99 6.393 0.796 4.979 1.00 0.00 C ATOM 1531 CD1 PHE A 99 7.478 0.006 4.635 1.00 0.00 C ATOM 1532 CD2 PHE A 99 5.229 0.180 5.406 1.00 0.00 C ATOM 1533 CE1 PHE A 99 7.400 -1.371 4.713 1.00 0.00 C ATOM 1534 CE2 PHE A 99 5.145 -1.195 5.485 1.00 0.00 C ATOM 1535 CZ PHE A 99 6.231 -1.972 5.139 1.00 0.00 C ATOM 0 H PHE A 99 5.124 2.521 6.988 1.00 0.00 H new ATOM 0 HA PHE A 99 7.972 2.533 6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.496 2.695 4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.139 2.562 4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.394 0.471 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.376 0.783 5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.252 -1.977 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.230 -1.662 5.817 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.168 -3.048 5.201 1.00 0.00 H new ATOM 1545 N ARG A 100 6.826 5.261 6.944 1.00 0.00 N ATOM 1546 CA ARG A 100 6.996 6.708 6.841 1.00 0.00 C ATOM 1547 C ARG A 100 8.443 7.109 7.109 1.00 0.00 C ATOM 1548 O ARG A 100 8.804 8.285 7.017 1.00 0.00 O ATOM 1549 CB ARG A 100 6.044 7.444 7.787 1.00 0.00 C ATOM 1550 CG ARG A 100 4.606 7.421 7.303 1.00 0.00 C ATOM 1551 CD ARG A 100 3.706 8.326 8.125 1.00 0.00 C ATOM 1552 NE ARG A 100 2.407 8.501 7.477 1.00 0.00 N ATOM 1553 CZ ARG A 100 1.621 9.563 7.640 1.00 0.00 C ATOM 1554 NH1 ARG A 100 1.942 10.513 8.509 1.00 0.00 N ATOM 1555 NH2 ARG A 100 0.494 9.662 6.946 1.00 0.00 N ATOM 0 H ARG A 100 6.419 4.942 7.823 1.00 0.00 H new ATOM 0 HA ARG A 100 6.748 7.000 5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.098 6.990 8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.371 8.478 7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.572 7.730 6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.227 6.400 7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.566 7.901 9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.184 9.297 8.258 1.00 0.00 H new ATOM 0 HE ARG A 100 2.081 7.759 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.797 10.433 9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.333 11.323 8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.233 8.926 6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.111 10.474 7.068 1.00 0.00 H new ATOM 1569 N ARG A 101 9.264 6.125 7.442 1.00 0.00 N ATOM 1570 CA ARG A 101 10.695 6.329 7.563 1.00 0.00 C ATOM 1571 C ARG A 101 11.410 5.337 6.658 1.00 0.00 C ATOM 1572 O ARG A 101 11.654 4.191 7.035 1.00 0.00 O ATOM 1573 CB ARG A 101 11.153 6.182 9.017 1.00 0.00 C ATOM 1574 CG ARG A 101 12.620 6.523 9.230 1.00 0.00 C ATOM 1575 CD ARG A 101 12.953 7.906 8.689 1.00 0.00 C ATOM 1576 NE ARG A 101 14.337 8.289 8.964 1.00 0.00 N ATOM 1577 CZ ARG A 101 15.315 8.282 8.058 1.00 0.00 C ATOM 1578 NH1 ARG A 101 15.085 7.858 6.823 1.00 0.00 N ATOM 1579 NH2 ARG A 101 16.532 8.692 8.395 1.00 0.00 N ATOM 0 H ARG A 101 8.958 5.171 7.634 1.00 0.00 H new ATOM 0 HA ARG A 101 10.943 7.344 7.253 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.543 6.828 9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.976 5.157 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 101 12.854 6.481 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 101 13.244 5.778 8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.780 7.925 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.280 8.640 9.133 1.00 0.00 H new ATOM 0 HE ARG A 101 14.570 8.581 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.154 7.534 6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.839 7.856 6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.717 9.012 9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.282 8.687 7.703 1.00 0.00 H new ATOM 1593 N VAL A 102 11.710 5.779 5.447 1.00 0.00 N ATOM 1594 CA VAL A 102 12.264 4.904 4.429 1.00 0.00 C ATOM 1595 C VAL A 102 13.777 4.785 4.556 1.00 0.00 C ATOM 1596 O VAL A 102 14.491 5.786 4.485 1.00 0.00 O ATOM 1597 CB VAL A 102 11.915 5.405 3.010 1.00 0.00 C ATOM 1598 CG1 VAL A 102 12.387 4.416 1.953 1.00 0.00 C ATOM 1599 CG2 VAL A 102 10.420 5.659 2.878 1.00 0.00 C ATOM 0 H VAL A 102 11.578 6.744 5.145 1.00 0.00 H new ATOM 0 HA VAL A 102 11.817 3.922 4.584 1.00 0.00 H new ATOM 0 HB VAL A 102 12.437 6.348 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.130 4.791 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.468 4.294 2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.902 3.453 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.198 6.011 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.876 4.734 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.114 6.414 3.602 1.00 0.00 H new ATOM 1609 N ARG A 103 14.235 3.549 4.759 1.00 0.00 N ATOM 1610 CA ARG A 103 15.661 3.208 4.751 1.00 0.00 C ATOM 1611 C ARG A 103 16.385 3.735 5.989 1.00 0.00 C ATOM 1612 O ARG A 103 16.653 4.929 6.115 1.00 0.00 O ATOM 1613 CB ARG A 103 16.333 3.718 3.468 1.00 0.00 C ATOM 1614 CG ARG A 103 17.828 3.439 3.394 1.00 0.00 C ATOM 1615 CD ARG A 103 18.385 3.781 2.022 1.00 0.00 C ATOM 1616 NE ARG A 103 18.119 5.172 1.649 1.00 0.00 N ATOM 1617 CZ ARG A 103 17.438 5.535 0.561 1.00 0.00 C ATOM 1618 NH1 ARG A 103 16.896 4.611 -0.223 1.00 0.00 N ATOM 1619 NH2 ARG A 103 17.274 6.822 0.271 1.00 0.00 N ATOM 0 H ARG A 103 13.625 2.751 4.935 1.00 0.00 H new ATOM 0 HA ARG A 103 15.734 2.121 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 103 15.846 3.258 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 103 16.171 4.793 3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.347 4.021 4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.016 2.388 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.460 3.603 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 103 17.946 3.117 1.278 1.00 0.00 H new ATOM 0 HE ARG A 103 18.476 5.908 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.000 3.623 0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.375 4.889 -1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.670 7.537 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.752 7.095 -0.562 1.00 0.00 H new ATOM 1633 N LEU A 104 16.697 2.825 6.900 1.00 0.00 N ATOM 1634 CA LEU A 104 17.439 3.161 8.109 1.00 0.00 C ATOM 1635 C LEU A 104 18.727 2.345 8.179 1.00 0.00 C ATOM 1636 O LEU A 104 19.755 2.822 8.657 1.00 0.00 O ATOM 1637 CB LEU A 104 16.583 2.904 9.356 1.00 0.00 C ATOM 1638 CG LEU A 104 17.249 3.256 10.690 1.00 0.00 C ATOM 1639 CD1 LEU A 104 17.558 4.745 10.759 1.00 0.00 C ATOM 1640 CD2 LEU A 104 16.362 2.837 11.853 1.00 0.00 C ATOM 0 H LEU A 104 16.446 1.839 6.824 1.00 0.00 H new ATOM 0 HA LEU A 104 17.692 4.221 8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.660 3.477 9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.304 1.850 9.375 1.00 0.00 H new ATOM 0 HG LEU A 104 18.190 2.710 10.760 1.00 0.00 H new ATOM 0 HD11 LEU A 104 18.031 4.975 11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 104 18.232 5.015 9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 104 16.633 5.313 10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.850 3.094 12.793 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.406 3.356 11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.195 1.761 11.813 1.00 0.00 H new ATOM 1652 N GLU A 105 18.662 1.110 7.693 1.00 0.00 N ATOM 1653 CA GLU A 105 19.825 0.240 7.671 1.00 0.00 C ATOM 1654 C GLU A 105 19.777 -0.659 6.440 1.00 0.00 C ATOM 1655 O GLU A 105 18.700 -0.963 5.921 1.00 0.00 O ATOM 1656 CB GLU A 105 19.889 -0.601 8.951 1.00 0.00 C ATOM 1657 CG GLU A 105 21.232 -0.526 9.667 1.00 0.00 C ATOM 1658 CD GLU A 105 22.334 -1.283 8.954 1.00 0.00 C ATOM 1659 OE1 GLU A 105 22.850 -0.785 7.928 1.00 0.00 O ATOM 1660 OE2 GLU A 105 22.693 -2.382 9.417 1.00 0.00 O ATOM 0 H GLU A 105 17.814 0.692 7.310 1.00 0.00 H new ATOM 0 HA GLU A 105 20.725 0.854 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 105 19.105 -0.270 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.677 -1.641 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 105 21.525 0.519 9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 105 21.121 -0.924 10.676 1.00 0.00 H new ATOM 1667 N HIS A 106 20.941 -1.088 5.990 1.00 0.00 N ATOM 1668 CA HIS A 106 21.064 -1.877 4.770 1.00 0.00 C ATOM 1669 C HIS A 106 21.378 -3.327 5.129 1.00 0.00 C ATOM 1670 O HIS A 106 21.900 -4.093 4.315 1.00 0.00 O ATOM 1671 CB HIS A 106 22.178 -1.280 3.903 1.00 0.00 C ATOM 1672 CG HIS A 106 22.099 -1.631 2.449 1.00 0.00 C ATOM 1673 ND1 HIS A 106 23.016 -2.438 1.821 1.00 0.00 N ATOM 1674 CD2 HIS A 106 21.230 -1.233 1.488 1.00 0.00 C ATOM 1675 CE1 HIS A 106 22.721 -2.521 0.537 1.00 0.00 C ATOM 1676 NE2 HIS A 106 21.639 -1.798 0.305 1.00 0.00 N ATOM 0 H HIS A 106 21.829 -0.902 6.456 1.00 0.00 H new ATOM 0 HA HIS A 106 20.128 -1.856 4.211 1.00 0.00 H new ATOM 0 HB2 HIS A 106 22.154 -0.195 4.002 1.00 0.00 H new ATOM 0 HB3 HIS A 106 23.140 -1.614 4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 106 20.374 -0.590 1.627 1.00 0.00 H new ATOM 0 HE1 HIS A 106 23.272 -3.085 -0.201 1.00 0.00 H new ATOM 0 HE2 HIS A 106 21.184 -1.680 -0.600 1.00 0.00 H new ATOM 1685 N HIS A 107 21.027 -3.698 6.355 1.00 0.00 N ATOM 1686 CA HIS A 107 21.383 -4.997 6.907 1.00 0.00 C ATOM 1687 C HIS A 107 20.445 -6.098 6.416 1.00 0.00 C ATOM 1688 O HIS A 107 19.308 -6.218 6.874 1.00 0.00 O ATOM 1689 CB HIS A 107 21.364 -4.934 8.436 1.00 0.00 C ATOM 1690 CG HIS A 107 21.868 -6.171 9.112 1.00 0.00 C ATOM 1691 ND1 HIS A 107 21.100 -6.918 9.974 1.00 0.00 N ATOM 1692 CD2 HIS A 107 23.076 -6.778 9.065 1.00 0.00 C ATOM 1693 CE1 HIS A 107 21.812 -7.930 10.432 1.00 0.00 C ATOM 1694 NE2 HIS A 107 23.013 -7.870 9.893 1.00 0.00 N ATOM 0 H HIS A 107 20.490 -3.109 6.991 1.00 0.00 H new ATOM 0 HA HIS A 107 22.388 -5.242 6.563 1.00 0.00 H new ATOM 0 HB2 HIS A 107 21.967 -4.086 8.760 1.00 0.00 H new ATOM 0 HB3 HIS A 107 20.343 -4.744 8.767 1.00 0.00 H new ATOM 0 HD2 HIS A 107 23.930 -6.462 8.484 1.00 0.00 H new ATOM 0 HE1 HIS A 107 21.469 -8.680 11.130 1.00 0.00 H new ATOM 0 HE2 HIS A 107 23.773 -8.529 10.064 1.00 0.00 H new ATOM 1703 N HIS A 108 20.935 -6.880 5.471 1.00 0.00 N ATOM 1704 CA HIS A 108 20.238 -8.065 4.997 1.00 0.00 C ATOM 1705 C HIS A 108 21.275 -9.080 4.551 1.00 0.00 C ATOM 1706 O HIS A 108 22.043 -8.812 3.628 1.00 0.00 O ATOM 1707 CB HIS A 108 19.291 -7.723 3.839 1.00 0.00 C ATOM 1708 CG HIS A 108 18.492 -8.893 3.345 1.00 0.00 C ATOM 1709 ND1 HIS A 108 18.812 -9.599 2.206 1.00 0.00 N ATOM 1710 CD2 HIS A 108 17.372 -9.477 3.840 1.00 0.00 C ATOM 1711 CE1 HIS A 108 17.928 -10.560 2.021 1.00 0.00 C ATOM 1712 NE2 HIS A 108 17.044 -10.511 2.996 1.00 0.00 N ATOM 0 H HIS A 108 21.829 -6.712 5.009 1.00 0.00 H new ATOM 0 HA HIS A 108 19.630 -8.477 5.803 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.607 -6.938 4.161 1.00 0.00 H new ATOM 0 HB3 HIS A 108 19.874 -7.318 3.012 1.00 0.00 H new ATOM 0 HD2 HIS A 108 16.837 -9.184 4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 108 17.929 -11.269 1.206 1.00 0.00 H new ATOM 0 HE2 HIS A 108 16.247 -11.138 3.107 1.00 0.00 H new ATOM 1721 N HIS A 109 21.323 -10.220 5.224 1.00 0.00 N ATOM 1722 CA HIS A 109 22.339 -11.219 4.931 1.00 0.00 C ATOM 1723 C HIS A 109 22.217 -11.714 3.494 1.00 0.00 C ATOM 1724 O HIS A 109 21.161 -12.192 3.069 1.00 0.00 O ATOM 1725 CB HIS A 109 22.261 -12.400 5.898 1.00 0.00 C ATOM 1726 CG HIS A 109 23.568 -13.123 6.035 1.00 0.00 C ATOM 1727 ND1 HIS A 109 24.070 -13.983 5.078 1.00 0.00 N ATOM 1728 CD2 HIS A 109 24.495 -13.082 7.022 1.00 0.00 C ATOM 1729 CE1 HIS A 109 25.245 -14.436 5.476 1.00 0.00 C ATOM 1730 NE2 HIS A 109 25.524 -13.906 6.648 1.00 0.00 N ATOM 0 H HIS A 109 20.676 -10.475 5.970 1.00 0.00 H new ATOM 0 HA HIS A 109 23.309 -10.739 5.058 1.00 0.00 H new ATOM 0 HB2 HIS A 109 21.944 -12.042 6.878 1.00 0.00 H new ATOM 0 HB3 HIS A 109 21.499 -13.098 5.552 1.00 0.00 H new ATOM 0 HD1 HIS A 109 23.607 -14.229 4.203 1.00 0.00 H new ATOM 0 HD2 HIS A 109 24.434 -12.507 7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 109 25.872 -15.126 4.931 1.00 0.00 H new ATOM 1739 N HIS A 110 23.311 -11.597 2.761 1.00 0.00 N ATOM 1740 CA HIS A 110 23.357 -11.982 1.360 1.00 0.00 C ATOM 1741 C HIS A 110 23.279 -13.500 1.222 1.00 0.00 C ATOM 1742 O HIS A 110 23.753 -14.235 2.090 1.00 0.00 O ATOM 1743 CB HIS A 110 24.645 -11.447 0.727 1.00 0.00 C ATOM 1744 CG HIS A 110 24.715 -11.632 -0.755 1.00 0.00 C ATOM 1745 ND1 HIS A 110 25.530 -12.563 -1.359 1.00 0.00 N ATOM 1746 CD2 HIS A 110 24.071 -10.991 -1.757 1.00 0.00 C ATOM 1747 CE1 HIS A 110 25.384 -12.485 -2.668 1.00 0.00 C ATOM 1748 NE2 HIS A 110 24.505 -11.541 -2.935 1.00 0.00 N ATOM 0 H HIS A 110 24.193 -11.232 3.120 1.00 0.00 H new ATOM 0 HA HIS A 110 22.501 -11.552 0.840 1.00 0.00 H new ATOM 0 HB2 HIS A 110 24.736 -10.385 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 110 25.498 -11.946 1.186 1.00 0.00 H new ATOM 0 HD2 HIS A 110 23.350 -10.195 -1.649 1.00 0.00 H new ATOM 0 HE1 HIS A 110 25.899 -13.093 -3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 110 24.197 -11.264 -3.867 1.00 0.00 H new ATOM 1757 N HIS A 111 22.652 -13.957 0.149 1.00 0.00 N ATOM 1758 CA HIS A 111 22.560 -15.379 -0.139 1.00 0.00 C ATOM 1759 C HIS A 111 23.137 -15.658 -1.517 1.00 0.00 C ATOM 1760 O HIS A 111 24.262 -16.184 -1.596 1.00 0.00 O ATOM 1761 CB HIS A 111 21.110 -15.864 -0.072 1.00 0.00 C ATOM 1762 CG HIS A 111 20.527 -15.842 1.305 1.00 0.00 C ATOM 1763 ND1 HIS A 111 19.828 -14.766 1.807 1.00 0.00 N ATOM 1764 CD2 HIS A 111 20.537 -16.773 2.288 1.00 0.00 C ATOM 1765 CE1 HIS A 111 19.433 -15.037 3.038 1.00 0.00 C ATOM 1766 NE2 HIS A 111 19.849 -16.249 3.354 1.00 0.00 N ATOM 1767 OXT HIS A 111 22.481 -15.308 -2.516 1.00 0.00 O ATOM 0 H HIS A 111 22.197 -13.359 -0.540 1.00 0.00 H new ATOM 0 HA HIS A 111 23.132 -15.920 0.615 1.00 0.00 H new ATOM 0 HB2 HIS A 111 20.498 -15.241 -0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 111 21.059 -16.881 -0.461 1.00 0.00 H new ATOM 0 HD2 HIS A 111 21.000 -17.747 2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 111 18.865 -14.378 3.678 1.00 0.00 H new ATOM 0 HE2 HIS A 111 19.686 -16.719 4.244 1.00 0.00 H new TER 1776 HIS A 111