USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 914 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 111 GLN : amide:sc= -2.44 K(o=-6.4,f=-9.5!) USER MOD Set 1.2: A 113 LYS NZ :NH3+ -133:sc= -3.98! (180deg=-8.75!) USER MOD Set 2.1: A 81 HIS : no HE2:sc= -0.398 K(o=-0.4,f=-4.2!) USER MOD Set 2.2: A 92 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 68 CYS SG : rot -123:sc= 1.06 USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= 0.327 USER MOD Set 4.1: A 17 MET CE :methyl 161:sc= -6.37! (180deg=-6.71!) USER MOD Set 4.2: A 49 SER OG : rot -39:sc= 0.79 USER MOD Set 4.3: A 64 HIS : no HD1:sc= -5.25! C(o=-11!,f=-23!) USER MOD Set 5.1: A 27 LYS NZ :NH3+ 167:sc= 0.928 (180deg=0.78) USER MOD Set 5.2: A 59 GLN : amide:sc= -0.114 K(o=0.81,f=-0.45) USER MOD Set 6.1: A 21 GLN :FLIP amide:sc= -0.0127 F(o=-2.6,f=-1.6) USER MOD Set 6.2: A 24 GLN : amide:sc= -1.59! C(o=-1.6!,f=-1.6!) USER MOD Set 7.1: A 13 TYR OH : rot 150:sc= -1.01 USER MOD Set 7.2: A 15 LYS NZ :NH3+ -179:sc= -0.353 (180deg=-0.399!) USER MOD Single : A 1 THR N :NH3+ -154:sc= 0.276 (180deg=-0.408) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -117:sc= -0.991 (180deg=-2.39!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -80:sc= -0.284 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.086 X(o=-0.086,f=-0.44) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.0472 (180deg=-0.543) USER MOD Single : A 40 SER OG : rot -150:sc=0.000897 USER MOD Single : A 41 SER OG : rot 38:sc= 0.0752 USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= -0.0199 (180deg=-0.192) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 0.168 (180deg=0.029) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.98 (180deg=-1.5) USER MOD Single : A 54 SER OG : rot -68:sc= 1.1 USER MOD Single : A 55 THR OG1 : rot -62:sc= -1.21! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 98:sc= -4.22! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.87! USER MOD Single : A 72 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.51) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.28 F(o=-9.2!,f=-5.3) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -53:sc= -0.248! USER MOD Single : A 91 ASN : amide:sc= -0.714 X(o=-0.71,f=-0.28) USER MOD Single : A 93 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.0072) USER MOD Single : A 94 GLN :FLIP amide:sc= 0.144! F(o=-0.82,f=0.14!) USER MOD Single : A 95 HIS : no HD1:sc= -0.453 X(o=-0.45,f=-0.091) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 60:sc= 0.286 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 104:sc= 0.834 USER MOD Single : A 109 SER OG : rot 174:sc= -4.87! USER MOD Single : A 110 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.033) USER MOD Single : A 112 ASN : amide:sc= -0.0626 X(o=-0.063,f=-0.063) USER MOD Single : A 114 ASN :FLIP amide:sc= 0.922 F(o=0,f=0.92) USER MOD Single : A 117 SER OG : rot 47:sc= 0.0442 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 15.330 -10.124 -10.536 1.00 0.00 N ATOM 2 CA THR A 1 15.381 -8.839 -9.780 1.00 0.00 C ATOM 3 C THR A 1 14.544 -7.772 -10.492 1.00 0.00 C ATOM 4 O THR A 1 13.879 -6.972 -9.864 1.00 0.00 O ATOM 5 CB THR A 1 16.858 -8.445 -9.768 1.00 0.00 C ATOM 6 OG1 THR A 1 17.402 -8.608 -11.071 1.00 0.00 O ATOM 7 CG2 THR A 1 17.614 -9.334 -8.781 1.00 0.00 C ATOM 0 H1 THR A 1 15.497 -10.917 -9.884 1.00 0.00 H new ATOM 0 H2 THR A 1 14.394 -10.230 -10.978 1.00 0.00 H new ATOM 0 H3 THR A 1 16.063 -10.122 -11.274 1.00 0.00 H new ATOM 0 HA THR A 1 14.978 -8.936 -8.772 1.00 0.00 H new ATOM 0 HB THR A 1 16.955 -7.403 -9.463 1.00 0.00 H new ATOM 0 HG1 THR A 1 18.348 -8.354 -11.064 1.00 0.00 H new ATOM 0 HG21 THR A 1 18.667 -9.054 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 1 17.196 -9.206 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 1 17.519 -10.377 -9.084 1.00 0.00 H new ATOM 15 N GLU A 2 14.572 -7.756 -11.799 1.00 0.00 N ATOM 16 CA GLU A 2 13.778 -6.743 -12.560 1.00 0.00 C ATOM 17 C GLU A 2 14.089 -5.329 -12.055 1.00 0.00 C ATOM 18 O GLU A 2 15.136 -5.080 -11.489 1.00 0.00 O ATOM 19 CB GLU A 2 12.313 -7.100 -12.294 1.00 0.00 C ATOM 20 CG GLU A 2 11.498 -6.904 -13.573 1.00 0.00 C ATOM 21 CD GLU A 2 10.386 -7.952 -13.638 1.00 0.00 C ATOM 22 OE1 GLU A 2 9.872 -8.307 -12.590 1.00 0.00 O ATOM 23 OE2 GLU A 2 10.068 -8.383 -14.734 1.00 0.00 O ATOM 0 H GLU A 2 15.112 -8.402 -12.375 1.00 0.00 H new ATOM 0 HA GLU A 2 14.012 -6.755 -13.624 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.235 -8.133 -11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.914 -6.473 -11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.069 -5.902 -13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.145 -6.991 -14.446 1.00 0.00 H new ATOM 30 N ALA A 3 13.188 -4.404 -12.256 1.00 0.00 N ATOM 31 CA ALA A 3 13.430 -3.007 -11.789 1.00 0.00 C ATOM 32 C ALA A 3 12.101 -2.274 -11.602 1.00 0.00 C ATOM 33 O ALA A 3 11.040 -2.862 -11.674 1.00 0.00 O ATOM 34 CB ALA A 3 14.254 -2.355 -12.899 1.00 0.00 C ATOM 0 H ALA A 3 12.294 -4.555 -12.724 1.00 0.00 H new ATOM 0 HA ALA A 3 13.945 -2.976 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 3 14.474 -1.322 -12.630 1.00 0.00 H new ATOM 0 HB2 ALA A 3 15.187 -2.903 -13.029 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.689 -2.375 -13.831 1.00 0.00 H new ATOM 40 N GLU A 4 12.152 -0.992 -11.355 1.00 0.00 N ATOM 41 CA GLU A 4 10.894 -0.214 -11.156 1.00 0.00 C ATOM 42 C GLU A 4 11.206 1.283 -11.072 1.00 0.00 C ATOM 43 O GLU A 4 10.953 1.924 -10.070 1.00 0.00 O ATOM 44 CB GLU A 4 10.319 -0.716 -9.827 1.00 0.00 C ATOM 45 CG GLU A 4 11.399 -0.647 -8.740 1.00 0.00 C ATOM 46 CD GLU A 4 10.754 -0.365 -7.379 1.00 0.00 C ATOM 47 OE1 GLU A 4 9.584 -0.019 -7.354 1.00 0.00 O ATOM 48 OE2 GLU A 4 11.444 -0.501 -6.381 1.00 0.00 O ATOM 0 H GLU A 4 13.012 -0.449 -11.282 1.00 0.00 H new ATOM 0 HA GLU A 4 10.193 -0.348 -11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.460 -0.110 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.964 -1.741 -9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.950 -1.587 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.119 0.136 -8.980 1.00 0.00 H new ATOM 55 N ASP A 5 11.752 1.844 -12.117 1.00 0.00 N ATOM 56 CA ASP A 5 12.081 3.299 -12.097 1.00 0.00 C ATOM 57 C ASP A 5 11.330 4.027 -13.217 1.00 0.00 C ATOM 58 O ASP A 5 11.786 5.028 -13.733 1.00 0.00 O ATOM 59 CB ASP A 5 13.594 3.370 -12.325 1.00 0.00 C ATOM 60 CG ASP A 5 13.954 2.746 -13.679 1.00 0.00 C ATOM 61 OD1 ASP A 5 13.074 2.170 -14.301 1.00 0.00 O ATOM 62 OD2 ASP A 5 15.103 2.855 -14.070 1.00 0.00 O ATOM 0 H ASP A 5 11.984 1.358 -12.983 1.00 0.00 H new ATOM 0 HA ASP A 5 11.790 3.775 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.926 4.408 -12.295 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.115 2.845 -11.524 1.00 0.00 H new ATOM 67 N SER A 6 10.182 3.531 -13.595 1.00 0.00 N ATOM 68 CA SER A 6 9.401 4.191 -14.680 1.00 0.00 C ATOM 69 C SER A 6 8.181 4.911 -14.096 1.00 0.00 C ATOM 70 O SER A 6 7.842 4.738 -12.941 1.00 0.00 O ATOM 71 CB SER A 6 8.961 3.054 -15.601 1.00 0.00 C ATOM 72 OG SER A 6 10.105 2.494 -16.233 1.00 0.00 O ATOM 0 H SER A 6 9.751 2.696 -13.198 1.00 0.00 H new ATOM 0 HA SER A 6 9.988 4.942 -15.210 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.436 2.289 -15.029 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.263 3.427 -16.350 1.00 0.00 H new ATOM 0 HG SER A 6 9.827 1.763 -16.824 1.00 0.00 H new ATOM 78 N ILE A 7 7.523 5.718 -14.884 1.00 0.00 N ATOM 79 CA ILE A 7 6.327 6.452 -14.378 1.00 0.00 C ATOM 80 C ILE A 7 5.044 5.888 -15.003 1.00 0.00 C ATOM 81 O ILE A 7 3.953 6.146 -14.533 1.00 0.00 O ATOM 82 CB ILE A 7 6.551 7.904 -14.809 1.00 0.00 C ATOM 83 CG1 ILE A 7 5.386 8.767 -14.315 1.00 0.00 C ATOM 84 CG2 ILE A 7 6.640 7.988 -16.337 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.767 10.247 -14.405 1.00 0.00 C ATOM 0 H ILE A 7 7.763 5.901 -15.858 1.00 0.00 H new ATOM 0 HA ILE A 7 6.209 6.359 -13.298 1.00 0.00 H new ATOM 0 HB ILE A 7 7.484 8.267 -14.377 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.497 8.573 -14.915 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.139 8.507 -13.286 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.799 9.024 -16.636 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.472 7.377 -16.687 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.712 7.622 -16.776 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.936 10.859 -14.053 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.644 10.435 -13.786 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.992 10.502 -15.440 1.00 0.00 H new ATOM 97 N GLU A 8 5.165 5.130 -16.061 1.00 0.00 N ATOM 98 CA GLU A 8 3.953 4.558 -16.715 1.00 0.00 C ATOM 99 C GLU A 8 3.319 3.486 -15.823 1.00 0.00 C ATOM 100 O GLU A 8 3.985 2.591 -15.344 1.00 0.00 O ATOM 101 CB GLU A 8 4.460 3.938 -18.018 1.00 0.00 C ATOM 102 CG GLU A 8 4.988 5.040 -18.938 1.00 0.00 C ATOM 103 CD GLU A 8 5.169 4.483 -20.351 1.00 0.00 C ATOM 104 OE1 GLU A 8 4.181 4.389 -21.061 1.00 0.00 O ATOM 105 OE2 GLU A 8 6.293 4.159 -20.700 1.00 0.00 O ATOM 0 H GLU A 8 6.052 4.883 -16.500 1.00 0.00 H new ATOM 0 HA GLU A 8 3.188 5.314 -16.892 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.250 3.217 -17.807 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.655 3.393 -18.511 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.293 5.880 -18.953 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.938 5.419 -18.561 1.00 0.00 H new ATOM 112 N MET A 9 2.035 3.575 -15.597 1.00 0.00 N ATOM 113 CA MET A 9 1.354 2.568 -14.739 1.00 0.00 C ATOM 114 C MET A 9 -0.167 2.710 -14.857 1.00 0.00 C ATOM 115 O MET A 9 -0.668 3.443 -15.685 1.00 0.00 O ATOM 116 CB MET A 9 1.822 2.857 -13.306 1.00 0.00 C ATOM 117 CG MET A 9 1.847 4.369 -13.035 1.00 0.00 C ATOM 118 SD MET A 9 0.167 4.964 -12.721 1.00 0.00 S ATOM 119 CE MET A 9 0.008 5.977 -14.212 1.00 0.00 C ATOM 0 H MET A 9 1.429 4.305 -15.972 1.00 0.00 H new ATOM 0 HA MET A 9 1.599 1.549 -15.037 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.157 2.367 -12.595 1.00 0.00 H new ATOM 0 HB3 MET A 9 2.817 2.439 -13.152 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.485 4.583 -12.177 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.275 4.894 -13.889 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.116 7.023 -13.930 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.905 5.869 -14.822 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.861 5.650 -14.783 1.00 0.00 H new ATOM 129 N TYR A 10 -0.902 2.007 -14.036 1.00 0.00 N ATOM 130 CA TYR A 10 -2.384 2.094 -14.098 1.00 0.00 C ATOM 131 C TYR A 10 -2.904 3.122 -13.089 1.00 0.00 C ATOM 132 O TYR A 10 -3.271 4.225 -13.447 1.00 0.00 O ATOM 133 CB TYR A 10 -2.878 0.690 -13.744 1.00 0.00 C ATOM 134 CG TYR A 10 -2.526 -0.263 -14.862 1.00 0.00 C ATOM 135 CD1 TYR A 10 -3.382 -0.400 -15.961 1.00 0.00 C ATOM 136 CD2 TYR A 10 -1.342 -1.009 -14.800 1.00 0.00 C ATOM 137 CE1 TYR A 10 -3.056 -1.283 -16.998 1.00 0.00 C ATOM 138 CE2 TYR A 10 -1.015 -1.891 -15.836 1.00 0.00 C ATOM 139 CZ TYR A 10 -1.871 -2.029 -16.934 1.00 0.00 C ATOM 140 OH TYR A 10 -1.549 -2.898 -17.956 1.00 0.00 O ATOM 0 H TYR A 10 -0.535 1.375 -13.324 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.736 2.415 -15.078 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.423 0.357 -12.811 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.957 0.701 -13.587 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.295 0.176 -16.009 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.681 -0.903 -13.952 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.717 -1.389 -17.846 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.102 -2.465 -15.788 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.695 -3.336 -17.756 1.00 0.00 H new ATOM 150 N GLU A 11 -2.938 2.772 -11.830 1.00 0.00 N ATOM 151 CA GLU A 11 -3.435 3.729 -10.797 1.00 0.00 C ATOM 152 C GLU A 11 -2.728 3.491 -9.464 1.00 0.00 C ATOM 153 O GLU A 11 -2.312 4.417 -8.798 1.00 0.00 O ATOM 154 CB GLU A 11 -4.925 3.421 -10.636 1.00 0.00 C ATOM 155 CG GLU A 11 -5.665 4.684 -10.207 1.00 0.00 C ATOM 156 CD GLU A 11 -5.718 5.670 -11.376 1.00 0.00 C ATOM 157 OE1 GLU A 11 -5.945 5.226 -12.489 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.531 6.852 -11.137 1.00 0.00 O ATOM 0 H GLU A 11 -2.643 1.864 -11.472 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.251 4.762 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.334 3.049 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.066 2.635 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.675 4.433 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.161 5.141 -9.355 1.00 0.00 H new ATOM 165 N TRP A 12 -2.614 2.248 -9.069 1.00 0.00 N ATOM 166 CA TRP A 12 -1.970 1.906 -7.764 1.00 0.00 C ATOM 167 C TRP A 12 -0.686 2.702 -7.534 1.00 0.00 C ATOM 168 O TRP A 12 -0.268 2.899 -6.415 1.00 0.00 O ATOM 169 CB TRP A 12 -1.658 0.411 -7.843 1.00 0.00 C ATOM 170 CG TRP A 12 -0.783 0.137 -9.025 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.227 -0.171 -10.266 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.671 0.141 -9.100 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.137 -0.356 -11.097 1.00 0.00 N ATOM 174 CE2 TRP A 12 1.055 -0.174 -10.425 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.684 0.387 -8.157 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.397 -0.245 -10.800 1.00 0.00 C ATOM 177 CZ3 TRP A 12 3.037 0.316 -8.531 1.00 0.00 C ATOM 178 CH2 TRP A 12 3.391 0.001 -9.850 1.00 0.00 C ATOM 0 H TRP A 12 -2.945 1.444 -9.603 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.630 2.151 -6.932 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.162 0.085 -6.929 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.583 -0.159 -7.924 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.263 -0.258 -10.559 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.206 -0.597 -12.086 1.00 0.00 H new ATOM 0 HE3 TRP A 12 1.421 0.632 -7.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.665 -0.488 -11.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.808 0.505 -7.798 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.432 -0.052 -10.132 1.00 0.00 H new ATOM 189 N TYR A 13 -0.053 3.156 -8.576 1.00 0.00 N ATOM 190 CA TYR A 13 1.210 3.928 -8.377 1.00 0.00 C ATOM 191 C TYR A 13 0.901 5.392 -8.056 1.00 0.00 C ATOM 192 O TYR A 13 0.070 6.015 -8.688 1.00 0.00 O ATOM 193 CB TYR A 13 1.969 3.822 -9.699 1.00 0.00 C ATOM 194 CG TYR A 13 3.395 4.261 -9.476 1.00 0.00 C ATOM 195 CD1 TYR A 13 4.189 3.594 -8.535 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.919 5.339 -10.196 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.509 4.003 -8.318 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.240 5.747 -9.980 1.00 0.00 C ATOM 199 CZ TYR A 13 6.035 5.079 -9.041 1.00 0.00 C ATOM 200 OH TYR A 13 7.338 5.482 -8.828 1.00 0.00 O ATOM 0 H TYR A 13 -0.346 3.031 -9.545 1.00 0.00 H new ATOM 0 HA TYR A 13 1.792 3.536 -7.543 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.943 2.797 -10.068 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.496 4.446 -10.457 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.782 2.764 -7.977 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.305 5.856 -10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.122 3.488 -7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.646 6.578 -10.538 1.00 0.00 H new ATOM 0 HH TYR A 13 7.702 5.861 -9.655 1.00 0.00 H new ATOM 210 N SER A 14 1.566 5.942 -7.072 1.00 0.00 N ATOM 211 CA SER A 14 1.316 7.364 -6.701 1.00 0.00 C ATOM 212 C SER A 14 2.603 8.017 -6.200 1.00 0.00 C ATOM 213 O SER A 14 3.312 7.468 -5.379 1.00 0.00 O ATOM 214 CB SER A 14 0.287 7.308 -5.577 1.00 0.00 C ATOM 215 OG SER A 14 -0.727 6.368 -5.911 1.00 0.00 O ATOM 0 H SER A 14 2.272 5.466 -6.510 1.00 0.00 H new ATOM 0 HA SER A 14 0.967 7.950 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.769 7.023 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.152 8.293 -5.422 1.00 0.00 H new ATOM 0 HG SER A 14 -1.365 6.781 -6.530 1.00 0.00 H new ATOM 221 N LYS A 15 2.909 9.185 -6.689 1.00 0.00 N ATOM 222 CA LYS A 15 4.149 9.882 -6.247 1.00 0.00 C ATOM 223 C LYS A 15 3.902 10.652 -4.948 1.00 0.00 C ATOM 224 O LYS A 15 3.131 11.590 -4.903 1.00 0.00 O ATOM 225 CB LYS A 15 4.493 10.841 -7.390 1.00 0.00 C ATOM 226 CG LYS A 15 5.774 10.371 -8.091 1.00 0.00 C ATOM 227 CD LYS A 15 5.648 8.890 -8.471 1.00 0.00 C ATOM 228 CE LYS A 15 6.542 8.045 -7.553 1.00 0.00 C ATOM 229 NZ LYS A 15 5.650 6.988 -6.989 1.00 0.00 N ATOM 0 H LYS A 15 2.352 9.689 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 15 4.961 9.184 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.670 10.881 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.629 11.851 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.951 10.971 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.632 10.515 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.610 8.568 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.938 8.745 -9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.370 7.604 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.978 8.654 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.194 6.385 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.866 7.435 -6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.268 6.407 -7.762 1.00 0.00 H new ATOM 243 N HIS A 16 4.569 10.258 -3.895 1.00 0.00 N ATOM 244 CA HIS A 16 4.412 10.948 -2.581 1.00 0.00 C ATOM 245 C HIS A 16 2.954 10.924 -2.115 1.00 0.00 C ATOM 246 O HIS A 16 2.441 11.908 -1.619 1.00 0.00 O ATOM 247 CB HIS A 16 4.879 12.385 -2.820 1.00 0.00 C ATOM 248 CG HIS A 16 6.328 12.385 -3.221 1.00 0.00 C ATOM 249 ND1 HIS A 16 6.736 12.678 -4.513 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.476 12.131 -2.513 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.079 12.594 -4.542 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.581 12.264 -3.349 1.00 0.00 N ATOM 0 H HIS A 16 5.225 9.477 -3.890 1.00 0.00 H new ATOM 0 HA HIS A 16 4.990 10.456 -1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.275 12.849 -3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.742 12.978 -1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.516 11.868 -1.466 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.678 12.772 -5.423 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.563 12.137 -3.103 1.00 0.00 H new ATOM 260 N MET A 17 2.288 9.808 -2.250 1.00 0.00 N ATOM 261 CA MET A 17 0.871 9.732 -1.791 1.00 0.00 C ATOM 262 C MET A 17 0.837 9.517 -0.274 1.00 0.00 C ATOM 263 O MET A 17 1.419 8.583 0.243 1.00 0.00 O ATOM 264 CB MET A 17 0.276 8.530 -2.522 1.00 0.00 C ATOM 265 CG MET A 17 -1.195 8.362 -2.126 1.00 0.00 C ATOM 266 SD MET A 17 -1.564 6.605 -1.890 1.00 0.00 S ATOM 267 CE MET A 17 -0.588 6.368 -0.384 1.00 0.00 C ATOM 0 H MET A 17 2.662 8.950 -2.656 1.00 0.00 H new ATOM 0 HA MET A 17 0.311 10.643 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.359 8.670 -3.600 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.835 7.628 -2.274 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.400 8.913 -1.208 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.840 8.779 -2.899 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.924 5.467 0.129 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.465 6.265 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.717 7.229 0.272 1.00 0.00 H new ATOM 277 N THR A 18 0.176 10.385 0.441 1.00 0.00 N ATOM 278 CA THR A 18 0.117 10.248 1.926 1.00 0.00 C ATOM 279 C THR A 18 -0.649 8.985 2.333 1.00 0.00 C ATOM 280 O THR A 18 -1.651 8.633 1.742 1.00 0.00 O ATOM 281 CB THR A 18 -0.621 11.495 2.411 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.150 12.630 1.699 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.372 11.687 3.907 1.00 0.00 C ATOM 0 H THR A 18 -0.328 11.186 0.061 1.00 0.00 H new ATOM 0 HA THR A 18 1.113 10.160 2.361 1.00 0.00 H new ATOM 0 HB THR A 18 -1.690 11.376 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.624 13.430 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.899 12.577 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.736 10.816 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.697 11.806 4.086 1.00 0.00 H new ATOM 291 N ARG A 19 -0.184 8.312 3.354 1.00 0.00 N ATOM 292 CA ARG A 19 -0.879 7.077 3.829 1.00 0.00 C ATOM 293 C ARG A 19 -2.351 7.382 4.109 1.00 0.00 C ATOM 294 O ARG A 19 -3.241 6.610 3.798 1.00 0.00 O ATOM 295 CB ARG A 19 -0.164 6.709 5.135 1.00 0.00 C ATOM 296 CG ARG A 19 -0.378 7.821 6.178 1.00 0.00 C ATOM 297 CD ARG A 19 0.600 7.627 7.339 1.00 0.00 C ATOM 298 NE ARG A 19 -0.133 8.108 8.543 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.294 9.388 8.741 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.743 10.177 8.788 1.00 0.00 N ATOM 301 NH2 ARG A 19 -1.495 9.877 8.893 1.00 0.00 N ATOM 0 H ARG A 19 0.651 8.566 3.882 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.847 6.272 3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.547 5.762 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.901 6.571 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.226 8.798 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.404 7.797 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.887 6.581 7.443 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.517 8.195 7.182 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.509 7.437 9.213 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.681 9.794 8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.616 11.177 8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.306 9.259 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.623 10.877 9.048 1.00 0.00 H new ATOM 315 N SER A 20 -2.595 8.512 4.702 1.00 0.00 N ATOM 316 CA SER A 20 -3.980 8.912 5.034 1.00 0.00 C ATOM 317 C SER A 20 -4.755 9.178 3.745 1.00 0.00 C ATOM 318 O SER A 20 -5.911 8.823 3.622 1.00 0.00 O ATOM 319 CB SER A 20 -3.799 10.173 5.881 1.00 0.00 C ATOM 320 OG SER A 20 -4.672 11.198 5.421 1.00 0.00 O ATOM 0 H SER A 20 -1.879 9.185 4.974 1.00 0.00 H new ATOM 0 HA SER A 20 -4.550 8.153 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.006 9.951 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.765 10.513 5.826 1.00 0.00 H new ATOM 0 HG SER A 20 -4.551 12.001 5.969 1.00 0.00 H new ATOM 326 N GLN A 21 -4.120 9.772 2.768 1.00 0.00 N ATOM 327 CA GLN A 21 -4.816 10.024 1.479 1.00 0.00 C ATOM 328 C GLN A 21 -5.255 8.691 0.887 1.00 0.00 C ATOM 329 O GLN A 21 -6.368 8.549 0.425 1.00 0.00 O ATOM 330 CB GLN A 21 -3.782 10.706 0.583 1.00 0.00 C ATOM 331 CG GLN A 21 -3.655 12.178 0.983 1.00 0.00 C ATOM 332 CD GLN A 21 -4.544 13.034 0.080 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.711 12.579 -0.287 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -4.173 14.128 -0.297 1.00 0.00 N flip ATOM 0 H GLN A 21 -3.152 10.091 2.810 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.705 10.645 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.817 10.207 0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.081 10.626 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.946 12.308 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.617 12.500 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.261 14.484 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.774 14.690 -0.900 1.00 0.00 H new ATOM 343 N ALA A 22 -4.399 7.702 0.921 1.00 0.00 N ATOM 344 CA ALA A 22 -4.789 6.369 0.382 1.00 0.00 C ATOM 345 C ALA A 22 -5.999 5.860 1.158 1.00 0.00 C ATOM 346 O ALA A 22 -6.971 5.419 0.584 1.00 0.00 O ATOM 347 CB ALA A 22 -3.576 5.458 0.601 1.00 0.00 C ATOM 0 H ALA A 22 -3.453 7.761 1.297 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.059 6.404 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.798 4.459 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.716 5.863 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.350 5.403 1.666 1.00 0.00 H new ATOM 353 N GLU A 23 -5.950 5.939 2.461 1.00 0.00 N ATOM 354 CA GLU A 23 -7.108 5.478 3.282 1.00 0.00 C ATOM 355 C GLU A 23 -8.394 6.173 2.827 1.00 0.00 C ATOM 356 O GLU A 23 -9.381 5.530 2.529 1.00 0.00 O ATOM 357 CB GLU A 23 -6.778 5.885 4.720 1.00 0.00 C ATOM 358 CG GLU A 23 -5.638 5.021 5.256 1.00 0.00 C ATOM 359 CD GLU A 23 -5.552 5.173 6.777 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.546 4.914 7.434 1.00 0.00 O ATOM 361 OE2 GLU A 23 -4.495 5.547 7.256 1.00 0.00 O ATOM 0 H GLU A 23 -5.159 6.303 2.992 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.266 4.404 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.495 6.937 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.660 5.771 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.805 3.976 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.695 5.318 4.796 1.00 0.00 H new ATOM 368 N GLN A 24 -8.397 7.481 2.787 1.00 0.00 N ATOM 369 CA GLN A 24 -9.632 8.196 2.368 1.00 0.00 C ATOM 370 C GLN A 24 -9.983 7.875 0.913 1.00 0.00 C ATOM 371 O GLN A 24 -11.112 7.538 0.620 1.00 0.00 O ATOM 372 CB GLN A 24 -9.362 9.694 2.565 1.00 0.00 C ATOM 373 CG GLN A 24 -8.147 10.145 1.754 1.00 0.00 C ATOM 374 CD GLN A 24 -7.882 11.627 2.024 1.00 0.00 C ATOM 375 OE1 GLN A 24 -7.333 11.982 3.048 1.00 0.00 O ATOM 376 NE2 GLN A 24 -8.252 12.514 1.141 1.00 0.00 N ATOM 0 H GLN A 24 -7.604 8.077 3.025 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.489 7.881 2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.238 10.268 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.195 9.901 3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.274 9.552 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.324 9.983 0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.713 12.216 0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.080 13.505 1.311 1.00 0.00 H new ATOM 385 N LEU A 25 -9.051 7.958 -0.007 1.00 0.00 N ATOM 386 CA LEU A 25 -9.423 7.631 -1.416 1.00 0.00 C ATOM 387 C LEU A 25 -9.723 6.137 -1.536 1.00 0.00 C ATOM 388 O LEU A 25 -10.401 5.709 -2.451 1.00 0.00 O ATOM 389 CB LEU A 25 -8.246 8.049 -2.305 1.00 0.00 C ATOM 390 CG LEU A 25 -6.980 7.300 -1.905 1.00 0.00 C ATOM 391 CD1 LEU A 25 -6.888 6.002 -2.705 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.757 8.175 -2.211 1.00 0.00 C ATOM 0 H LEU A 25 -8.080 8.229 0.150 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.322 8.163 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.481 7.845 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.082 9.123 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.009 7.071 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.984 5.463 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.760 5.383 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.854 6.232 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.849 7.643 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.727 8.399 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.825 9.105 -1.647 1.00 0.00 H new ATOM 404 N LEU A 26 -9.264 5.341 -0.603 1.00 0.00 N ATOM 405 CA LEU A 26 -9.578 3.887 -0.663 1.00 0.00 C ATOM 406 C LEU A 26 -10.987 3.681 -0.099 1.00 0.00 C ATOM 407 O LEU A 26 -11.868 3.183 -0.769 1.00 0.00 O ATOM 408 CB LEU A 26 -8.530 3.195 0.217 1.00 0.00 C ATOM 409 CG LEU A 26 -7.336 2.736 -0.637 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.207 2.234 0.274 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.770 1.600 -1.569 1.00 0.00 C ATOM 0 H LEU A 26 -8.691 5.634 0.189 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.552 3.484 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.189 3.879 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.977 2.338 0.721 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.981 3.580 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.364 1.910 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.888 3.039 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.566 1.395 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.920 1.279 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.132 0.760 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.567 1.951 -2.224 1.00 0.00 H new ATOM 423 N LYS A 27 -11.206 4.089 1.126 1.00 0.00 N ATOM 424 CA LYS A 27 -12.563 3.947 1.733 1.00 0.00 C ATOM 425 C LYS A 27 -13.593 4.728 0.908 1.00 0.00 C ATOM 426 O LYS A 27 -14.719 4.304 0.736 1.00 0.00 O ATOM 427 CB LYS A 27 -12.437 4.559 3.130 1.00 0.00 C ATOM 428 CG LYS A 27 -12.907 3.550 4.181 1.00 0.00 C ATOM 429 CD LYS A 27 -14.360 3.847 4.559 1.00 0.00 C ATOM 430 CE LYS A 27 -14.599 3.459 6.021 1.00 0.00 C ATOM 431 NZ LYS A 27 -16.034 3.062 6.083 1.00 0.00 N ATOM 0 H LYS A 27 -10.503 4.514 1.731 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.893 2.909 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.402 4.842 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.033 5.469 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.821 2.536 3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.271 3.606 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.575 4.905 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.036 3.292 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.949 2.638 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.391 4.294 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.222 2.579 6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.632 3.910 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.251 2.420 5.294 1.00 0.00 H new ATOM 445 N GLN A 28 -13.214 5.877 0.415 1.00 0.00 N ATOM 446 CA GLN A 28 -14.167 6.707 -0.384 1.00 0.00 C ATOM 447 C GLN A 28 -14.557 6.013 -1.696 1.00 0.00 C ATOM 448 O GLN A 28 -15.706 6.033 -2.089 1.00 0.00 O ATOM 449 CB GLN A 28 -13.422 8.011 -0.669 1.00 0.00 C ATOM 450 CG GLN A 28 -14.353 8.983 -1.397 1.00 0.00 C ATOM 451 CD GLN A 28 -15.044 9.890 -0.376 1.00 0.00 C ATOM 452 OE1 GLN A 28 -14.399 10.466 0.477 1.00 0.00 O ATOM 453 NE2 GLN A 28 -16.340 10.043 -0.430 1.00 0.00 N ATOM 0 H GLN A 28 -12.284 6.279 0.531 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.098 6.872 0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.074 8.454 0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.539 7.812 -1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.785 9.584 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.097 8.430 -1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.881 9.559 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.811 10.646 0.244 1.00 0.00 H new ATOM 462 N GLU A 29 -13.622 5.402 -2.385 1.00 0.00 N ATOM 463 CA GLU A 29 -13.987 4.726 -3.667 1.00 0.00 C ATOM 464 C GLU A 29 -14.949 3.574 -3.368 1.00 0.00 C ATOM 465 O GLU A 29 -15.900 3.343 -4.090 1.00 0.00 O ATOM 466 CB GLU A 29 -12.664 4.233 -4.265 1.00 0.00 C ATOM 467 CG GLU A 29 -12.839 3.863 -5.749 1.00 0.00 C ATOM 468 CD GLU A 29 -13.617 4.957 -6.488 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.836 4.899 -6.480 1.00 0.00 O ATOM 470 OE2 GLU A 29 -12.980 5.832 -7.050 1.00 0.00 O ATOM 0 H GLU A 29 -12.639 5.343 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.495 5.386 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.904 5.008 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.309 3.365 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.862 3.727 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.367 2.913 -5.833 1.00 0.00 H new ATOM 477 N GLY A 30 -14.737 2.883 -2.280 1.00 0.00 N ATOM 478 CA GLY A 30 -15.667 1.789 -1.898 1.00 0.00 C ATOM 479 C GLY A 30 -15.317 0.470 -2.597 1.00 0.00 C ATOM 480 O GLY A 30 -16.190 -0.303 -2.942 1.00 0.00 O ATOM 0 H GLY A 30 -13.957 3.032 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.636 1.647 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.688 2.075 -2.152 1.00 0.00 H new ATOM 484 N LYS A 31 -14.058 0.193 -2.793 1.00 0.00 N ATOM 485 CA LYS A 31 -13.670 -1.096 -3.451 1.00 0.00 C ATOM 486 C LYS A 31 -13.280 -2.125 -2.384 1.00 0.00 C ATOM 487 O LYS A 31 -13.144 -1.800 -1.223 1.00 0.00 O ATOM 488 CB LYS A 31 -12.454 -0.763 -4.326 1.00 0.00 C ATOM 489 CG LYS A 31 -12.720 0.512 -5.138 1.00 0.00 C ATOM 490 CD LYS A 31 -13.987 0.338 -5.983 1.00 0.00 C ATOM 491 CE LYS A 31 -13.770 -0.768 -7.020 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.877 -1.737 -6.788 1.00 0.00 N ATOM 0 H LYS A 31 -13.280 0.798 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.487 -1.517 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.572 -0.627 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.242 -1.594 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.834 1.364 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.868 0.727 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.832 0.087 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.234 1.275 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.800 -0.370 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.797 -1.243 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.031 -2.301 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.626 -2.368 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.748 -1.219 -6.553 1.00 0.00 H new ATOM 506 N GLU A 32 -13.081 -3.361 -2.765 1.00 0.00 N ATOM 507 CA GLU A 32 -12.674 -4.384 -1.754 1.00 0.00 C ATOM 508 C GLU A 32 -11.329 -4.989 -2.136 1.00 0.00 C ATOM 509 O GLU A 32 -11.253 -5.959 -2.865 1.00 0.00 O ATOM 510 CB GLU A 32 -13.753 -5.464 -1.737 1.00 0.00 C ATOM 511 CG GLU A 32 -14.203 -5.793 -3.163 1.00 0.00 C ATOM 512 CD GLU A 32 -15.129 -7.011 -3.137 1.00 0.00 C ATOM 513 OE1 GLU A 32 -14.753 -8.004 -2.538 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.199 -6.928 -3.718 1.00 0.00 O ATOM 0 H GLU A 32 -13.181 -3.704 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.570 -3.932 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.369 -6.363 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.606 -5.125 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.721 -4.938 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.336 -5.995 -3.792 1.00 0.00 H new ATOM 521 N GLY A 33 -10.268 -4.419 -1.645 1.00 0.00 N ATOM 522 CA GLY A 33 -8.923 -4.941 -1.964 1.00 0.00 C ATOM 523 C GLY A 33 -8.193 -3.958 -2.880 1.00 0.00 C ATOM 524 O GLY A 33 -7.325 -4.338 -3.637 1.00 0.00 O ATOM 0 H GLY A 33 -10.280 -3.605 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.353 -5.090 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.005 -5.913 -2.450 1.00 0.00 H new ATOM 528 N GLY A 34 -8.529 -2.692 -2.815 1.00 0.00 N ATOM 529 CA GLY A 34 -7.836 -1.700 -3.685 1.00 0.00 C ATOM 530 C GLY A 34 -6.344 -1.747 -3.384 1.00 0.00 C ATOM 531 O GLY A 34 -5.942 -2.068 -2.284 1.00 0.00 O ATOM 0 H GLY A 34 -9.248 -2.308 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.017 -1.927 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.227 -0.699 -3.503 1.00 0.00 H new ATOM 535 N PHE A 35 -5.520 -1.459 -4.354 1.00 0.00 N ATOM 536 CA PHE A 35 -4.049 -1.520 -4.112 1.00 0.00 C ATOM 537 C PHE A 35 -3.342 -0.249 -4.593 1.00 0.00 C ATOM 538 O PHE A 35 -3.434 0.128 -5.745 1.00 0.00 O ATOM 539 CB PHE A 35 -3.589 -2.728 -4.926 1.00 0.00 C ATOM 540 CG PHE A 35 -2.142 -3.032 -4.627 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.131 -2.365 -5.326 1.00 0.00 C ATOM 542 CD2 PHE A 35 -1.815 -3.990 -3.663 1.00 0.00 C ATOM 543 CE1 PHE A 35 0.212 -2.658 -5.060 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.472 -4.281 -3.394 1.00 0.00 C ATOM 545 CZ PHE A 35 0.542 -3.615 -4.094 1.00 0.00 C ATOM 0 H PHE A 35 -5.798 -1.186 -5.297 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.814 -1.604 -3.051 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.207 -3.594 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.715 -2.529 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.386 -1.625 -6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.598 -4.505 -3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.994 -2.145 -5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.218 -5.019 -2.647 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.578 -3.840 -3.888 1.00 0.00 H new ATOM 555 N ILE A 36 -2.616 0.401 -3.718 1.00 0.00 N ATOM 556 CA ILE A 36 -1.876 1.634 -4.118 1.00 0.00 C ATOM 557 C ILE A 36 -0.425 1.534 -3.641 1.00 0.00 C ATOM 558 O ILE A 36 -0.110 0.761 -2.758 1.00 0.00 O ATOM 559 CB ILE A 36 -2.577 2.799 -3.410 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.083 2.761 -3.694 1.00 0.00 C ATOM 561 CG2 ILE A 36 -1.996 4.119 -3.920 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.777 3.911 -2.952 1.00 0.00 C ATOM 0 H ILE A 36 -2.505 0.129 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.871 1.770 -5.199 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.418 2.713 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.263 2.845 -4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.499 1.805 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.491 4.952 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.927 4.152 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.155 4.195 -4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.847 3.882 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.608 3.807 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.369 4.863 -3.293 1.00 0.00 H new ATOM 574 N VAL A 37 0.459 2.311 -4.209 1.00 0.00 N ATOM 575 CA VAL A 37 1.885 2.259 -3.777 1.00 0.00 C ATOM 576 C VAL A 37 2.551 3.622 -3.982 1.00 0.00 C ATOM 577 O VAL A 37 2.226 4.349 -4.902 1.00 0.00 O ATOM 578 CB VAL A 37 2.552 1.209 -4.669 1.00 0.00 C ATOM 579 CG1 VAL A 37 4.024 1.068 -4.268 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.850 -0.139 -4.494 1.00 0.00 C ATOM 0 H VAL A 37 0.255 2.979 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 37 1.975 2.008 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 37 2.480 1.521 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.504 0.321 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.528 2.026 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.089 0.756 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.328 -0.883 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.920 -0.453 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.801 -0.042 -4.774 1.00 0.00 H new ATOM 590 N ARG A 38 3.486 3.971 -3.138 1.00 0.00 N ATOM 591 CA ARG A 38 4.178 5.287 -3.295 1.00 0.00 C ATOM 592 C ARG A 38 5.614 5.205 -2.770 1.00 0.00 C ATOM 593 O ARG A 38 5.970 4.295 -2.047 1.00 0.00 O ATOM 594 CB ARG A 38 3.356 6.284 -2.472 1.00 0.00 C ATOM 595 CG ARG A 38 3.247 5.800 -1.021 1.00 0.00 C ATOM 596 CD ARG A 38 4.420 6.351 -0.207 1.00 0.00 C ATOM 597 NE ARG A 38 3.833 7.430 0.634 1.00 0.00 N ATOM 598 CZ ARG A 38 3.819 7.310 1.933 1.00 0.00 C ATOM 599 NH1 ARG A 38 4.891 6.913 2.565 1.00 0.00 N ATOM 600 NH2 ARG A 38 2.733 7.585 2.602 1.00 0.00 N ATOM 0 H ARG A 38 3.800 3.405 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 38 4.243 5.587 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.825 7.267 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.361 6.392 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.303 6.130 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.249 4.710 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.873 5.574 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.204 6.740 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 38 3.442 8.263 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.740 6.697 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.879 6.820 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.895 7.894 2.109 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.722 7.491 3.618 1.00 0.00 H new ATOM 614 N ASP A 39 6.441 6.149 -3.135 1.00 0.00 N ATOM 615 CA ASP A 39 7.861 6.131 -2.670 1.00 0.00 C ATOM 616 C ASP A 39 7.971 6.666 -1.237 1.00 0.00 C ATOM 617 O ASP A 39 7.217 7.526 -0.825 1.00 0.00 O ATOM 618 CB ASP A 39 8.608 7.047 -3.641 1.00 0.00 C ATOM 619 CG ASP A 39 10.111 6.783 -3.538 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.585 5.893 -4.224 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.763 7.477 -2.774 1.00 0.00 O ATOM 0 H ASP A 39 6.194 6.935 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 39 8.272 5.121 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.266 6.870 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.395 8.091 -3.410 1.00 0.00 H new ATOM 626 N SER A 40 8.911 6.164 -0.479 1.00 0.00 N ATOM 627 CA SER A 40 9.079 6.639 0.928 1.00 0.00 C ATOM 628 C SER A 40 10.149 7.737 0.994 1.00 0.00 C ATOM 629 O SER A 40 10.294 8.526 0.081 1.00 0.00 O ATOM 630 CB SER A 40 9.519 5.399 1.706 1.00 0.00 C ATOM 631 OG SER A 40 9.105 5.523 3.060 1.00 0.00 O ATOM 0 H SER A 40 9.571 5.444 -0.774 1.00 0.00 H new ATOM 0 HA SER A 40 8.165 7.072 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.085 4.504 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.602 5.288 1.653 1.00 0.00 H new ATOM 0 HG SER A 40 9.734 5.045 3.640 1.00 0.00 H new ATOM 637 N SER A 41 10.900 7.800 2.068 1.00 0.00 N ATOM 638 CA SER A 41 11.951 8.853 2.181 1.00 0.00 C ATOM 639 C SER A 41 13.097 8.371 3.078 1.00 0.00 C ATOM 640 O SER A 41 14.253 8.427 2.703 1.00 0.00 O ATOM 641 CB SER A 41 11.243 10.051 2.813 1.00 0.00 C ATOM 642 OG SER A 41 10.955 11.010 1.804 1.00 0.00 O ATOM 0 H SER A 41 10.829 7.169 2.866 1.00 0.00 H new ATOM 0 HA SER A 41 12.391 9.100 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.322 9.729 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.872 10.495 3.584 1.00 0.00 H new ATOM 0 HG SER A 41 10.688 10.549 0.981 1.00 0.00 H new ATOM 648 N LYS A 42 12.788 7.901 4.259 1.00 0.00 N ATOM 649 CA LYS A 42 13.864 7.418 5.179 1.00 0.00 C ATOM 650 C LYS A 42 14.717 6.353 4.483 1.00 0.00 C ATOM 651 O LYS A 42 15.873 6.572 4.177 1.00 0.00 O ATOM 652 CB LYS A 42 13.124 6.814 6.374 1.00 0.00 C ATOM 653 CG LYS A 42 12.352 7.914 7.106 1.00 0.00 C ATOM 654 CD LYS A 42 11.768 7.350 8.403 1.00 0.00 C ATOM 655 CE LYS A 42 10.344 6.848 8.146 1.00 0.00 C ATOM 656 NZ LYS A 42 10.472 5.369 8.029 1.00 0.00 N ATOM 0 H LYS A 42 11.839 7.830 4.627 1.00 0.00 H new ATOM 0 HA LYS A 42 14.539 8.219 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.438 6.037 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.833 6.340 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.013 8.752 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.553 8.297 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.391 6.535 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.760 8.119 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.675 7.123 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.931 7.282 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.769 5.012 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.428 5.128 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.308 4.932 8.958 1.00 0.00 H new ATOM 670 N ALA A 43 14.151 5.206 4.224 1.00 0.00 N ATOM 671 CA ALA A 43 14.920 4.125 3.537 1.00 0.00 C ATOM 672 C ALA A 43 14.791 4.271 2.024 1.00 0.00 C ATOM 673 O ALA A 43 15.488 3.624 1.266 1.00 0.00 O ATOM 674 CB ALA A 43 14.257 2.818 3.975 1.00 0.00 C ATOM 0 H ALA A 43 13.187 4.969 4.458 1.00 0.00 H new ATOM 0 HA ALA A 43 15.980 4.161 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.769 1.976 3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.318 2.725 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.211 2.820 3.669 1.00 0.00 H new ATOM 680 N GLY A 44 13.873 5.081 1.579 1.00 0.00 N ATOM 681 CA GLY A 44 13.665 5.226 0.118 1.00 0.00 C ATOM 682 C GLY A 44 12.948 3.968 -0.364 1.00 0.00 C ATOM 683 O GLY A 44 13.080 3.553 -1.498 1.00 0.00 O ATOM 0 H GLY A 44 13.260 5.647 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.072 6.114 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.619 5.346 -0.396 1.00 0.00 H new ATOM 687 N LYS A 45 12.193 3.352 0.513 1.00 0.00 N ATOM 688 CA LYS A 45 11.467 2.111 0.142 1.00 0.00 C ATOM 689 C LYS A 45 10.087 2.461 -0.422 1.00 0.00 C ATOM 690 O LYS A 45 9.792 3.610 -0.689 1.00 0.00 O ATOM 691 CB LYS A 45 11.332 1.323 1.448 1.00 0.00 C ATOM 692 CG LYS A 45 10.477 2.109 2.451 1.00 0.00 C ATOM 693 CD LYS A 45 11.320 2.471 3.675 1.00 0.00 C ATOM 694 CE LYS A 45 10.404 2.699 4.880 1.00 0.00 C ATOM 695 NZ LYS A 45 10.450 1.422 5.645 1.00 0.00 N ATOM 0 H LYS A 45 12.052 3.663 1.474 1.00 0.00 H new ATOM 0 HA LYS A 45 11.989 1.538 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.876 0.353 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.319 1.132 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.090 3.014 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.615 1.514 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.029 1.671 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.904 3.369 3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.751 3.535 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.387 2.934 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.573 1.314 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.545 0.625 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.264 1.434 6.292 1.00 0.00 H new ATOM 709 N TYR A 46 9.238 1.486 -0.602 1.00 0.00 N ATOM 710 CA TYR A 46 7.880 1.775 -1.146 1.00 0.00 C ATOM 711 C TYR A 46 6.808 1.432 -0.106 1.00 0.00 C ATOM 712 O TYR A 46 7.046 0.683 0.821 1.00 0.00 O ATOM 713 CB TYR A 46 7.728 0.867 -2.369 1.00 0.00 C ATOM 714 CG TYR A 46 8.669 1.297 -3.474 1.00 0.00 C ATOM 715 CD1 TYR A 46 10.057 1.256 -3.280 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.150 1.719 -4.703 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.920 1.640 -4.311 1.00 0.00 C ATOM 718 CE2 TYR A 46 9.015 2.103 -5.734 1.00 0.00 C ATOM 719 CZ TYR A 46 10.400 2.063 -5.539 1.00 0.00 C ATOM 720 OH TYR A 46 11.252 2.441 -6.556 1.00 0.00 O ATOM 0 H TYR A 46 9.425 0.505 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 46 7.763 2.828 -1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.935 -0.166 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.699 0.900 -2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.460 0.928 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.081 1.748 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.989 1.610 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.613 2.431 -6.681 1.00 0.00 H new ATOM 0 HH TYR A 46 10.728 2.706 -7.340 1.00 0.00 H new ATOM 730 N THR A 47 5.624 1.959 -0.271 1.00 0.00 N ATOM 731 CA THR A 47 4.521 1.651 0.686 1.00 0.00 C ATOM 732 C THR A 47 3.298 1.194 -0.104 1.00 0.00 C ATOM 733 O THR A 47 2.837 1.885 -0.991 1.00 0.00 O ATOM 734 CB THR A 47 4.228 2.960 1.425 1.00 0.00 C ATOM 735 OG1 THR A 47 5.386 3.370 2.137 1.00 0.00 O ATOM 736 CG2 THR A 47 3.068 2.749 2.407 1.00 0.00 C ATOM 0 H THR A 47 5.372 2.592 -1.030 1.00 0.00 H new ATOM 0 HA THR A 47 4.784 0.860 1.388 1.00 0.00 H new ATOM 0 HB THR A 47 3.953 3.730 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.200 4.209 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.861 3.682 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.179 2.436 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.338 1.979 3.129 1.00 0.00 H new ATOM 744 N VAL A 48 2.782 0.032 0.197 1.00 0.00 N ATOM 745 CA VAL A 48 1.597 -0.476 -0.555 1.00 0.00 C ATOM 746 C VAL A 48 0.306 -0.228 0.234 1.00 0.00 C ATOM 747 O VAL A 48 0.037 -0.876 1.224 1.00 0.00 O ATOM 748 CB VAL A 48 1.867 -1.974 -0.728 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.576 -2.706 -1.104 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.902 -2.176 -1.838 1.00 0.00 C ATOM 0 H VAL A 48 3.129 -0.587 0.930 1.00 0.00 H new ATOM 0 HA VAL A 48 1.462 0.027 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 48 2.244 -2.377 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.782 -3.770 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.164 -2.567 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.189 -2.304 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.097 -3.241 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.519 -1.764 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.828 -1.667 -1.569 1.00 0.00 H new ATOM 760 N SER A 49 -0.497 0.703 -0.209 1.00 0.00 N ATOM 761 CA SER A 49 -1.777 0.999 0.498 1.00 0.00 C ATOM 762 C SER A 49 -2.916 0.175 -0.107 1.00 0.00 C ATOM 763 O SER A 49 -3.298 0.382 -1.242 1.00 0.00 O ATOM 764 CB SER A 49 -2.021 2.487 0.259 1.00 0.00 C ATOM 765 OG SER A 49 -1.555 3.227 1.380 1.00 0.00 O ATOM 0 H SER A 49 -0.320 1.274 -1.035 1.00 0.00 H new ATOM 0 HA SER A 49 -1.729 0.753 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.505 2.811 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.084 2.672 0.103 1.00 0.00 H new ATOM 0 HG SER A 49 -1.764 2.739 2.204 1.00 0.00 H new ATOM 771 N VAL A 50 -3.465 -0.753 0.633 1.00 0.00 N ATOM 772 CA VAL A 50 -4.580 -1.572 0.069 1.00 0.00 C ATOM 773 C VAL A 50 -5.793 -1.545 1.005 1.00 0.00 C ATOM 774 O VAL A 50 -5.655 -1.652 2.209 1.00 0.00 O ATOM 775 CB VAL A 50 -4.022 -2.998 -0.056 1.00 0.00 C ATOM 776 CG1 VAL A 50 -2.698 -2.974 -0.822 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.785 -3.593 1.336 1.00 0.00 C ATOM 0 H VAL A 50 -3.195 -0.978 1.591 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.917 -1.187 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.746 -3.610 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.308 -3.988 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.862 -2.564 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.979 -2.353 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.389 -4.604 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.070 -2.975 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.727 -3.624 1.884 1.00 0.00 H new ATOM 787 N PHE A 51 -6.983 -1.395 0.472 1.00 0.00 N ATOM 788 CA PHE A 51 -8.181 -1.362 1.365 1.00 0.00 C ATOM 789 C PHE A 51 -9.320 -2.226 0.805 1.00 0.00 C ATOM 790 O PHE A 51 -9.296 -2.634 -0.335 1.00 0.00 O ATOM 791 CB PHE A 51 -8.592 0.115 1.410 1.00 0.00 C ATOM 792 CG PHE A 51 -10.001 0.287 0.884 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.249 0.170 -0.487 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.054 0.565 1.763 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.544 0.329 -0.979 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.352 0.723 1.269 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.598 0.607 -0.103 1.00 0.00 C ATOM 0 H PHE A 51 -7.173 -1.296 -0.525 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.960 -1.763 2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.531 0.485 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.900 0.710 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.437 -0.044 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.864 0.657 2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.733 0.237 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.165 0.935 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.600 0.732 -0.485 1.00 0.00 H new ATOM 807 N ALA A 52 -10.334 -2.468 1.603 1.00 0.00 N ATOM 808 CA ALA A 52 -11.503 -3.267 1.119 1.00 0.00 C ATOM 809 C ALA A 52 -12.696 -3.115 2.066 1.00 0.00 C ATOM 810 O ALA A 52 -12.557 -2.687 3.188 1.00 0.00 O ATOM 811 CB ALA A 52 -11.051 -4.725 1.091 1.00 0.00 C ATOM 0 H ALA A 52 -10.401 -2.146 2.569 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.821 -2.924 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.871 -5.353 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.202 -4.830 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.757 -5.034 2.094 1.00 0.00 H new ATOM 817 N LYS A 53 -13.869 -3.472 1.616 1.00 0.00 N ATOM 818 CA LYS A 53 -15.079 -3.353 2.486 1.00 0.00 C ATOM 819 C LYS A 53 -15.561 -4.744 2.925 1.00 0.00 C ATOM 820 O LYS A 53 -16.714 -5.089 2.750 1.00 0.00 O ATOM 821 CB LYS A 53 -16.130 -2.685 1.599 1.00 0.00 C ATOM 822 CG LYS A 53 -15.939 -1.168 1.630 1.00 0.00 C ATOM 823 CD LYS A 53 -17.296 -0.480 1.466 1.00 0.00 C ATOM 824 CE LYS A 53 -17.092 1.031 1.327 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.899 1.421 0.137 1.00 0.00 N ATOM 0 H LYS A 53 -14.044 -3.842 0.682 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.880 -2.785 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.043 -3.052 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.131 -2.943 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.478 -0.868 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.264 -0.859 0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.809 -0.870 0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.930 -0.694 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.426 1.558 2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.039 1.276 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.630 2.379 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.722 0.750 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.909 1.407 0.383 1.00 0.00 H new ATOM 839 N SER A 54 -14.693 -5.546 3.491 1.00 0.00 N ATOM 840 CA SER A 54 -15.122 -6.912 3.929 1.00 0.00 C ATOM 841 C SER A 54 -14.126 -7.504 4.935 1.00 0.00 C ATOM 842 O SER A 54 -13.478 -8.498 4.669 1.00 0.00 O ATOM 843 CB SER A 54 -15.147 -7.744 2.649 1.00 0.00 C ATOM 844 OG SER A 54 -15.223 -9.124 2.987 1.00 0.00 O ATOM 0 H SER A 54 -13.715 -5.318 3.668 1.00 0.00 H new ATOM 0 HA SER A 54 -16.090 -6.893 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.001 -7.461 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.251 -7.551 2.059 1.00 0.00 H new ATOM 0 HG SER A 54 -14.384 -9.404 3.408 1.00 0.00 H new ATOM 850 N THR A 55 -14.007 -6.907 6.092 1.00 0.00 N ATOM 851 CA THR A 55 -13.064 -7.432 7.132 1.00 0.00 C ATOM 852 C THR A 55 -13.370 -6.747 8.467 1.00 0.00 C ATOM 853 O THR A 55 -14.513 -6.466 8.765 1.00 0.00 O ATOM 854 CB THR A 55 -11.655 -7.075 6.647 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.645 -6.903 5.235 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.687 -8.197 7.030 1.00 0.00 C ATOM 0 H THR A 55 -14.525 -6.072 6.366 1.00 0.00 H new ATOM 0 HA THR A 55 -13.159 -8.508 7.277 1.00 0.00 H new ATOM 0 HB THR A 55 -11.346 -6.142 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.897 -7.745 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.684 -7.945 6.686 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.680 -8.317 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.007 -9.129 6.564 1.00 0.00 H new ATOM 864 N GLY A 56 -12.369 -6.455 9.268 1.00 0.00 N ATOM 865 CA GLY A 56 -12.638 -5.761 10.566 1.00 0.00 C ATOM 866 C GLY A 56 -13.518 -4.542 10.281 1.00 0.00 C ATOM 867 O GLY A 56 -14.342 -4.145 11.082 1.00 0.00 O ATOM 0 H GLY A 56 -11.389 -6.665 9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.136 -6.436 11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.703 -5.454 11.034 1.00 0.00 H new ATOM 871 N ASP A 57 -13.355 -3.969 9.118 1.00 0.00 N ATOM 872 CA ASP A 57 -14.174 -2.800 8.716 1.00 0.00 C ATOM 873 C ASP A 57 -15.005 -3.191 7.484 1.00 0.00 C ATOM 874 O ASP A 57 -14.630 -2.897 6.369 1.00 0.00 O ATOM 875 CB ASP A 57 -13.154 -1.724 8.358 1.00 0.00 C ATOM 876 CG ASP A 57 -13.661 -0.358 8.826 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.787 -0.022 8.499 1.00 0.00 O ATOM 878 OD2 ASP A 57 -12.914 0.329 9.503 1.00 0.00 O ATOM 0 H ASP A 57 -12.675 -4.271 8.421 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.862 -2.459 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.196 -1.947 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.987 -1.711 7.281 1.00 0.00 H new ATOM 883 N PRO A 58 -16.100 -3.870 7.721 1.00 0.00 N ATOM 884 CA PRO A 58 -16.970 -4.341 6.615 1.00 0.00 C ATOM 885 C PRO A 58 -17.334 -3.221 5.642 1.00 0.00 C ATOM 886 O PRO A 58 -17.696 -3.469 4.508 1.00 0.00 O ATOM 887 CB PRO A 58 -18.205 -4.845 7.362 1.00 0.00 C ATOM 888 CG PRO A 58 -17.974 -4.677 8.875 1.00 0.00 C ATOM 889 CD PRO A 58 -16.542 -4.182 9.100 1.00 0.00 C ATOM 0 HA PRO A 58 -16.489 -5.094 5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.088 -4.287 7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.389 -5.892 7.123 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.689 -3.967 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.131 -5.625 9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.511 -3.305 9.746 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.916 -4.943 9.566 1.00 0.00 H new ATOM 897 N GLN A 59 -17.257 -1.999 6.072 1.00 0.00 N ATOM 898 CA GLN A 59 -17.620 -0.875 5.160 1.00 0.00 C ATOM 899 C GLN A 59 -16.389 -0.058 4.753 1.00 0.00 C ATOM 900 O GLN A 59 -16.517 0.996 4.160 1.00 0.00 O ATOM 901 CB GLN A 59 -18.599 -0.009 5.957 1.00 0.00 C ATOM 902 CG GLN A 59 -18.024 0.266 7.347 1.00 0.00 C ATOM 903 CD GLN A 59 -18.523 1.622 7.854 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.515 2.135 7.376 1.00 0.00 O ATOM 905 NE2 GLN A 59 -17.870 2.227 8.809 1.00 0.00 N ATOM 0 H GLN A 59 -16.961 -1.725 7.009 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.056 -1.245 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.779 0.930 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.561 -0.515 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.323 -0.523 8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.935 0.260 7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -17.037 1.796 9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.193 3.131 9.154 1.00 0.00 H new ATOM 914 N GLY A 60 -15.203 -0.522 5.047 1.00 0.00 N ATOM 915 CA GLY A 60 -14.003 0.257 4.646 1.00 0.00 C ATOM 916 C GLY A 60 -12.755 -0.231 5.386 1.00 0.00 C ATOM 917 O GLY A 60 -12.442 0.230 6.465 1.00 0.00 O ATOM 0 H GLY A 60 -15.018 -1.395 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.850 0.167 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.165 1.314 4.858 1.00 0.00 H new ATOM 921 N VAL A 61 -12.030 -1.145 4.799 1.00 0.00 N ATOM 922 CA VAL A 61 -10.787 -1.657 5.450 1.00 0.00 C ATOM 923 C VAL A 61 -9.573 -1.115 4.729 1.00 0.00 C ATOM 924 O VAL A 61 -9.588 -0.941 3.536 1.00 0.00 O ATOM 925 CB VAL A 61 -10.817 -3.175 5.292 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.623 -3.785 6.026 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.114 -3.733 5.861 1.00 0.00 C ATOM 0 H VAL A 61 -12.245 -1.561 3.893 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.736 -1.355 6.496 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.760 -3.428 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.642 -4.869 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.698 -3.393 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.676 -3.528 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.126 -4.817 5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.185 -3.482 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.961 -3.301 5.328 1.00 0.00 H new ATOM 937 N ILE A 62 -8.530 -0.833 5.450 1.00 0.00 N ATOM 938 CA ILE A 62 -7.304 -0.276 4.808 1.00 0.00 C ATOM 939 C ILE A 62 -6.040 -0.754 5.526 1.00 0.00 C ATOM 940 O ILE A 62 -6.070 -1.135 6.679 1.00 0.00 O ATOM 941 CB ILE A 62 -7.436 1.245 4.941 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.896 1.603 5.263 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.999 1.904 3.626 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.092 3.111 5.275 1.00 0.00 C ATOM 0 H ILE A 62 -8.469 -0.963 6.460 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.218 -0.599 3.770 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.800 1.608 5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.557 1.152 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.172 1.188 6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.090 2.987 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.962 1.643 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.634 1.551 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.132 3.341 5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.446 3.556 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.838 3.519 4.297 1.00 0.00 H new ATOM 956 N ARG A 63 -4.926 -0.719 4.844 1.00 0.00 N ATOM 957 CA ARG A 63 -3.640 -1.151 5.466 1.00 0.00 C ATOM 958 C ARG A 63 -2.484 -0.842 4.510 1.00 0.00 C ATOM 959 O ARG A 63 -2.427 -1.351 3.407 1.00 0.00 O ATOM 960 CB ARG A 63 -3.780 -2.660 5.681 1.00 0.00 C ATOM 961 CG ARG A 63 -3.260 -3.029 7.073 1.00 0.00 C ATOM 962 CD ARG A 63 -4.179 -4.078 7.704 1.00 0.00 C ATOM 963 NE ARG A 63 -4.029 -3.886 9.174 1.00 0.00 N ATOM 964 CZ ARG A 63 -4.994 -4.234 9.980 1.00 0.00 C ATOM 965 NH1 ARG A 63 -6.224 -3.895 9.710 1.00 0.00 N ATOM 966 NH2 ARG A 63 -4.728 -4.921 11.056 1.00 0.00 N ATOM 0 H ARG A 63 -4.851 -0.407 3.876 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.433 -0.636 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.824 -2.957 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.220 -3.200 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.244 -3.417 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.218 -2.141 7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.213 -3.936 7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.891 -5.086 7.406 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.171 -3.482 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.432 -3.358 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.978 -4.167 10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.766 -5.186 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.482 -5.193 11.687 1.00 0.00 H new ATOM 980 N HIS A 64 -1.566 0.000 4.915 1.00 0.00 N ATOM 981 CA HIS A 64 -0.426 0.344 4.013 1.00 0.00 C ATOM 982 C HIS A 64 0.784 -0.535 4.314 1.00 0.00 C ATOM 983 O HIS A 64 1.483 -0.336 5.289 1.00 0.00 O ATOM 984 CB HIS A 64 -0.082 1.816 4.286 1.00 0.00 C ATOM 985 CG HIS A 64 -1.339 2.599 4.556 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.429 2.564 3.701 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.695 3.435 5.584 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.379 3.355 4.225 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.985 3.912 5.373 1.00 0.00 N ATOM 0 H HIS A 64 -1.557 0.461 5.825 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.697 0.182 2.970 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.591 1.888 5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.443 2.240 3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.069 3.685 6.428 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.346 3.521 3.773 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.515 4.550 5.967 1.00 0.00 H new ATOM 997 N TYR A 65 1.048 -1.490 3.469 1.00 0.00 N ATOM 998 CA TYR A 65 2.229 -2.369 3.685 1.00 0.00 C ATOM 999 C TYR A 65 3.473 -1.640 3.205 1.00 0.00 C ATOM 1000 O TYR A 65 3.556 -1.227 2.068 1.00 0.00 O ATOM 1001 CB TYR A 65 1.996 -3.596 2.815 1.00 0.00 C ATOM 1002 CG TYR A 65 0.611 -4.167 3.045 1.00 0.00 C ATOM 1003 CD1 TYR A 65 0.019 -4.105 4.314 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.074 -4.771 1.985 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.256 -4.645 4.519 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.347 -5.315 2.191 1.00 0.00 C ATOM 1007 CZ TYR A 65 -1.938 -5.252 3.458 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.193 -5.788 3.661 1.00 0.00 O ATOM 0 H TYR A 65 0.496 -1.700 2.637 1.00 0.00 H new ATOM 0 HA TYR A 65 2.359 -2.637 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.114 -3.330 1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.748 -4.353 3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.547 -3.640 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.380 -4.818 1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.714 -4.593 5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.873 -5.783 1.372 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.526 -6.169 2.822 1.00 0.00 H new ATOM 1018 N VAL A 66 4.440 -1.477 4.046 1.00 0.00 N ATOM 1019 CA VAL A 66 5.672 -0.768 3.611 1.00 0.00 C ATOM 1020 C VAL A 66 6.822 -1.756 3.479 1.00 0.00 C ATOM 1021 O VAL A 66 6.739 -2.882 3.925 1.00 0.00 O ATOM 1022 CB VAL A 66 5.974 0.255 4.704 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.182 1.098 4.283 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.759 1.168 4.907 1.00 0.00 C ATOM 0 H VAL A 66 4.437 -1.800 5.013 1.00 0.00 H new ATOM 0 HA VAL A 66 5.541 -0.288 2.641 1.00 0.00 H new ATOM 0 HB VAL A 66 6.193 -0.263 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.403 1.831 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.046 0.449 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.958 1.615 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.978 1.897 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.536 1.689 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.898 0.568 5.202 1.00 0.00 H new ATOM 1034 N VAL A 67 7.892 -1.349 2.867 1.00 0.00 N ATOM 1035 CA VAL A 67 9.038 -2.276 2.707 1.00 0.00 C ATOM 1036 C VAL A 67 10.277 -1.744 3.421 1.00 0.00 C ATOM 1037 O VAL A 67 10.701 -0.626 3.211 1.00 0.00 O ATOM 1038 CB VAL A 67 9.277 -2.346 1.202 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.503 -3.222 0.924 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.040 -2.944 0.521 1.00 0.00 C ATOM 0 H VAL A 67 8.023 -0.418 2.472 1.00 0.00 H new ATOM 0 HA VAL A 67 8.832 -3.255 3.140 1.00 0.00 H new ATOM 0 HB VAL A 67 9.455 -1.346 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.677 -3.274 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.377 -2.790 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.329 -4.225 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.206 -2.996 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.860 -3.947 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.173 -2.315 0.724 1.00 0.00 H new ATOM 1050 N CYS A 68 10.869 -2.555 4.247 1.00 0.00 N ATOM 1051 CA CYS A 68 12.098 -2.131 4.962 1.00 0.00 C ATOM 1052 C CYS A 68 13.309 -2.493 4.103 1.00 0.00 C ATOM 1053 O CYS A 68 13.259 -3.416 3.315 1.00 0.00 O ATOM 1054 CB CYS A 68 12.091 -2.927 6.267 1.00 0.00 C ATOM 1055 SG CYS A 68 13.525 -2.460 7.269 1.00 0.00 S ATOM 0 H CYS A 68 10.551 -3.501 4.459 1.00 0.00 H new ATOM 0 HA CYS A 68 12.140 -1.059 5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.171 -2.734 6.818 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.116 -3.996 6.053 1.00 0.00 H new ATOM 0 HG CYS A 68 14.227 -3.520 7.543 1.00 0.00 H new ATOM 1061 N SER A 69 14.387 -1.772 4.230 1.00 0.00 N ATOM 1062 CA SER A 69 15.582 -2.082 3.393 1.00 0.00 C ATOM 1063 C SER A 69 16.841 -2.208 4.251 1.00 0.00 C ATOM 1064 O SER A 69 17.120 -1.381 5.096 1.00 0.00 O ATOM 1065 CB SER A 69 15.708 -0.900 2.434 1.00 0.00 C ATOM 1066 OG SER A 69 15.372 0.300 3.119 1.00 0.00 O ATOM 0 H SER A 69 14.494 -0.987 4.872 1.00 0.00 H new ATOM 0 HA SER A 69 15.471 -3.032 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.725 -0.838 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.048 -1.040 1.578 1.00 0.00 H new ATOM 0 HG SER A 69 16.192 0.748 3.416 1.00 0.00 H new ATOM 1072 N THR A 70 17.611 -3.235 4.018 1.00 0.00 N ATOM 1073 CA THR A 70 18.872 -3.425 4.791 1.00 0.00 C ATOM 1074 C THR A 70 20.057 -2.940 3.938 1.00 0.00 C ATOM 1075 O THR A 70 19.947 -2.873 2.730 1.00 0.00 O ATOM 1076 CB THR A 70 18.942 -4.933 5.064 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.042 -5.215 5.913 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.105 -5.696 3.752 1.00 0.00 C ATOM 0 H THR A 70 17.420 -3.955 3.321 1.00 0.00 H new ATOM 0 HA THR A 70 18.903 -2.862 5.724 1.00 0.00 H new ATOM 0 HB THR A 70 18.017 -5.247 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.083 -6.179 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.154 -6.765 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.254 -5.489 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.024 -5.379 3.258 1.00 0.00 H new ATOM 1086 N PRO A 71 21.147 -2.589 4.582 1.00 0.00 N ATOM 1087 CA PRO A 71 22.331 -2.077 3.845 1.00 0.00 C ATOM 1088 C PRO A 71 22.950 -3.117 2.902 1.00 0.00 C ATOM 1089 O PRO A 71 23.935 -2.841 2.244 1.00 0.00 O ATOM 1090 CB PRO A 71 23.299 -1.706 4.974 1.00 0.00 C ATOM 1091 CG PRO A 71 22.627 -2.022 6.324 1.00 0.00 C ATOM 1092 CD PRO A 71 21.261 -2.667 6.059 1.00 0.00 C ATOM 0 HA PRO A 71 22.078 -1.246 3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.229 -2.266 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.557 -0.648 4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.254 -2.694 6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.506 -1.110 6.908 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.223 -3.697 6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.455 -2.128 6.557 1.00 0.00 H new ATOM 1100 N GLN A 72 22.391 -4.289 2.801 1.00 0.00 N ATOM 1101 CA GLN A 72 22.969 -5.295 1.867 1.00 0.00 C ATOM 1102 C GLN A 72 22.236 -5.208 0.520 1.00 0.00 C ATOM 1103 O GLN A 72 22.184 -6.155 -0.236 1.00 0.00 O ATOM 1104 CB GLN A 72 22.736 -6.646 2.555 1.00 0.00 C ATOM 1105 CG GLN A 72 23.220 -7.797 1.664 1.00 0.00 C ATOM 1106 CD GLN A 72 24.671 -7.552 1.238 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.495 -7.164 2.042 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.020 -7.765 -0.001 1.00 0.00 N ATOM 0 H GLN A 72 21.567 -4.593 3.319 1.00 0.00 H new ATOM 0 HA GLN A 72 24.028 -5.140 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.264 -6.670 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.676 -6.770 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.145 -8.742 2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.582 -7.880 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.329 -8.091 -0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.984 -7.606 -0.294 1.00 0.00 H new ATOM 1117 N SER A 73 21.662 -4.064 0.218 1.00 0.00 N ATOM 1118 CA SER A 73 20.918 -3.903 -1.069 1.00 0.00 C ATOM 1119 C SER A 73 19.740 -4.874 -1.088 1.00 0.00 C ATOM 1120 O SER A 73 19.515 -5.582 -2.050 1.00 0.00 O ATOM 1121 CB SER A 73 21.923 -4.244 -2.173 1.00 0.00 C ATOM 1122 OG SER A 73 21.824 -3.279 -3.212 1.00 0.00 O ATOM 0 H SER A 73 21.679 -3.235 0.811 1.00 0.00 H new ATOM 0 HA SER A 73 20.520 -2.897 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.935 -4.257 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.724 -5.241 -2.567 1.00 0.00 H new ATOM 0 HG SER A 73 22.467 -3.493 -3.920 1.00 0.00 H new ATOM 1128 N GLN A 74 19.000 -4.928 -0.011 1.00 0.00 N ATOM 1129 CA GLN A 74 17.848 -5.873 0.063 1.00 0.00 C ATOM 1130 C GLN A 74 16.613 -5.165 0.635 1.00 0.00 C ATOM 1131 O GLN A 74 16.696 -4.063 1.138 1.00 0.00 O ATOM 1132 CB GLN A 74 18.313 -6.993 1.000 1.00 0.00 C ATOM 1133 CG GLN A 74 19.845 -7.058 1.026 1.00 0.00 C ATOM 1134 CD GLN A 74 20.295 -8.431 1.534 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.403 -8.638 2.819 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.551 -9.325 0.752 1.00 0.00 N flip ATOM 0 H GLN A 74 19.145 -4.357 0.822 1.00 0.00 H new ATOM 0 HA GLN A 74 17.564 -6.255 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.932 -6.818 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.907 -7.948 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.243 -6.881 0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.241 -6.273 1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.467 -9.164 -0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.850 -10.236 1.099 1.00 0.00 H new ATOM 1145 N TYR A 75 15.460 -5.785 0.541 1.00 0.00 N ATOM 1146 CA TYR A 75 14.209 -5.131 1.062 1.00 0.00 C ATOM 1147 C TYR A 75 13.231 -6.165 1.631 1.00 0.00 C ATOM 1148 O TYR A 75 13.297 -7.327 1.314 1.00 0.00 O ATOM 1149 CB TYR A 75 13.573 -4.448 -0.150 1.00 0.00 C ATOM 1150 CG TYR A 75 14.594 -3.595 -0.857 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.494 -4.183 -1.749 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.642 -2.220 -0.616 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.446 -3.398 -2.401 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.593 -1.433 -1.270 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.496 -2.020 -2.163 1.00 0.00 C ATOM 1156 OH TYR A 75 17.435 -1.242 -2.808 1.00 0.00 O ATOM 0 H TYR A 75 15.328 -6.709 0.130 1.00 0.00 H new ATOM 0 HA TYR A 75 14.443 -4.435 1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.178 -5.199 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.732 -3.833 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.453 -5.246 -1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.946 -1.767 0.074 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.143 -3.854 -3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.631 -0.369 -1.086 1.00 0.00 H new ATOM 0 HH TYR A 75 17.332 -0.308 -2.531 1.00 0.00 H new ATOM 1166 N TYR A 76 12.304 -5.728 2.452 1.00 0.00 N ATOM 1167 CA TYR A 76 11.292 -6.665 3.048 1.00 0.00 C ATOM 1168 C TYR A 76 10.358 -5.913 4.001 1.00 0.00 C ATOM 1169 O TYR A 76 10.696 -4.873 4.521 1.00 0.00 O ATOM 1170 CB TYR A 76 12.096 -7.703 3.853 1.00 0.00 C ATOM 1171 CG TYR A 76 12.902 -7.013 4.935 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.288 -6.666 6.144 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.260 -6.739 4.741 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.026 -6.048 7.157 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.000 -6.117 5.754 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.384 -5.774 6.963 1.00 0.00 C ATOM 1177 OH TYR A 76 15.116 -5.164 7.962 1.00 0.00 O ATOM 0 H TYR A 76 12.203 -4.754 2.738 1.00 0.00 H new ATOM 0 HA TYR A 76 10.682 -7.124 2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.419 -8.431 4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.762 -8.254 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.240 -6.877 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.738 -7.007 3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.549 -5.782 8.089 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.047 -5.902 5.602 1.00 0.00 H new ATOM 0 HH TYR A 76 16.042 -5.047 7.664 1.00 0.00 H new ATOM 1187 N LEU A 77 9.216 -6.474 4.289 1.00 0.00 N ATOM 1188 CA LEU A 77 8.289 -5.833 5.271 1.00 0.00 C ATOM 1189 C LEU A 77 8.518 -6.549 6.604 1.00 0.00 C ATOM 1190 O LEU A 77 8.090 -6.122 7.658 1.00 0.00 O ATOM 1191 CB LEU A 77 6.876 -6.097 4.737 1.00 0.00 C ATOM 1192 CG LEU A 77 5.895 -5.096 5.356 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.834 -4.711 4.321 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.207 -5.733 6.566 1.00 0.00 C ATOM 0 H LEU A 77 8.882 -7.350 3.887 1.00 0.00 H new ATOM 0 HA LEU A 77 8.441 -4.762 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.865 -6.008 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.571 -7.116 4.976 1.00 0.00 H new ATOM 0 HG LEU A 77 6.441 -4.207 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.137 -3.999 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.317 -4.257 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.292 -5.603 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.510 -5.020 7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.664 -6.623 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.957 -6.010 7.307 1.00 0.00 H new ATOM 1206 N ALA A 78 9.254 -7.627 6.529 1.00 0.00 N ATOM 1207 CA ALA A 78 9.634 -8.425 7.716 1.00 0.00 C ATOM 1208 C ALA A 78 10.975 -9.082 7.379 1.00 0.00 C ATOM 1209 O ALA A 78 11.094 -9.769 6.383 1.00 0.00 O ATOM 1210 CB ALA A 78 8.531 -9.471 7.883 1.00 0.00 C ATOM 0 H ALA A 78 9.619 -7.996 5.651 1.00 0.00 H new ATOM 0 HA ALA A 78 9.737 -7.847 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.752 -10.097 8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.574 -8.970 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.480 -10.092 6.989 1.00 0.00 H new ATOM 1216 N GLU A 79 11.991 -8.853 8.166 1.00 0.00 N ATOM 1217 CA GLU A 79 13.335 -9.442 7.853 1.00 0.00 C ATOM 1218 C GLU A 79 13.226 -10.935 7.532 1.00 0.00 C ATOM 1219 O GLU A 79 14.116 -11.515 6.941 1.00 0.00 O ATOM 1220 CB GLU A 79 14.169 -9.223 9.113 1.00 0.00 C ATOM 1221 CG GLU A 79 14.870 -7.868 9.025 1.00 0.00 C ATOM 1222 CD GLU A 79 15.903 -7.751 10.146 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.853 -8.518 10.133 1.00 0.00 O ATOM 1224 OE2 GLU A 79 15.729 -6.897 11.000 1.00 0.00 O ATOM 0 H GLU A 79 11.954 -8.285 9.012 1.00 0.00 H new ATOM 0 HA GLU A 79 13.783 -8.975 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.531 -9.259 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.905 -10.020 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.357 -7.761 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.139 -7.063 9.105 1.00 0.00 H new ATOM 1231 N LYS A 80 12.141 -11.552 7.910 1.00 0.00 N ATOM 1232 CA LYS A 80 11.951 -13.011 7.625 1.00 0.00 C ATOM 1233 C LYS A 80 12.393 -13.339 6.193 1.00 0.00 C ATOM 1234 O LYS A 80 12.970 -14.376 5.930 1.00 0.00 O ATOM 1235 CB LYS A 80 10.449 -13.245 7.778 1.00 0.00 C ATOM 1236 CG LYS A 80 10.193 -14.228 8.922 1.00 0.00 C ATOM 1237 CD LYS A 80 10.097 -15.650 8.365 1.00 0.00 C ATOM 1238 CE LYS A 80 9.953 -16.643 9.520 1.00 0.00 C ATOM 1239 NZ LYS A 80 8.938 -17.630 9.055 1.00 0.00 N ATOM 0 H LYS A 80 11.369 -11.109 8.408 1.00 0.00 H new ATOM 0 HA LYS A 80 12.540 -13.640 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.943 -12.301 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.036 -13.638 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.998 -14.167 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.270 -13.966 9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.243 -15.732 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.986 -15.883 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.903 -17.129 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.628 -16.143 10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.785 -18.345 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.043 -17.140 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.277 -18.095 8.189 1.00 0.00 H new ATOM 1253 N HIS A 81 12.128 -12.452 5.271 1.00 0.00 N ATOM 1254 CA HIS A 81 12.531 -12.693 3.854 1.00 0.00 C ATOM 1255 C HIS A 81 12.691 -11.348 3.150 1.00 0.00 C ATOM 1256 O HIS A 81 11.910 -10.439 3.359 1.00 0.00 O ATOM 1257 CB HIS A 81 11.393 -13.506 3.225 1.00 0.00 C ATOM 1258 CG HIS A 81 10.057 -12.953 3.652 1.00 0.00 C ATOM 1259 ND1 HIS A 81 9.662 -11.658 3.357 1.00 0.00 N ATOM 1260 CD2 HIS A 81 9.018 -13.511 4.355 1.00 0.00 C ATOM 1261 CE1 HIS A 81 8.433 -11.480 3.876 1.00 0.00 C ATOM 1262 NE2 HIS A 81 7.994 -12.580 4.495 1.00 0.00 N ATOM 0 H HIS A 81 11.648 -11.568 5.439 1.00 0.00 H new ATOM 0 HA HIS A 81 13.477 -13.228 3.773 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.475 -13.479 2.138 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.474 -14.551 3.525 1.00 0.00 H new ATOM 0 HD1 HIS A 81 10.204 -10.965 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.999 -14.520 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.871 -10.561 3.801 1.00 0.00 H new ATOM 1270 N LEU A 82 13.701 -11.191 2.337 1.00 0.00 N ATOM 1271 CA LEU A 82 13.888 -9.883 1.665 1.00 0.00 C ATOM 1272 C LEU A 82 14.486 -10.056 0.264 1.00 0.00 C ATOM 1273 O LEU A 82 15.349 -10.882 0.039 1.00 0.00 O ATOM 1274 CB LEU A 82 14.836 -9.109 2.592 1.00 0.00 C ATOM 1275 CG LEU A 82 16.217 -9.758 2.612 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.223 -8.780 3.222 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.186 -11.037 3.457 1.00 0.00 C ATOM 0 H LEU A 82 14.394 -11.905 2.114 1.00 0.00 H new ATOM 0 HA LEU A 82 12.945 -9.358 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.919 -8.076 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.426 -9.084 3.601 1.00 0.00 H new ATOM 0 HG LEU A 82 16.508 -10.009 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.212 -9.238 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.255 -7.870 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.920 -8.534 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.176 -11.492 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.891 -10.792 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.468 -11.738 3.031 1.00 0.00 H new ATOM 1289 N PHE A 83 14.028 -9.273 -0.675 1.00 0.00 N ATOM 1290 CA PHE A 83 14.559 -9.368 -2.064 1.00 0.00 C ATOM 1291 C PHE A 83 15.409 -8.131 -2.373 1.00 0.00 C ATOM 1292 O PHE A 83 15.845 -7.436 -1.478 1.00 0.00 O ATOM 1293 CB PHE A 83 13.320 -9.421 -2.955 1.00 0.00 C ATOM 1294 CG PHE A 83 12.915 -10.861 -3.149 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.422 -11.600 -2.068 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.038 -11.457 -4.409 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.051 -12.939 -2.248 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.667 -12.795 -4.590 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.173 -13.535 -3.510 1.00 0.00 C ATOM 0 H PHE A 83 13.304 -8.567 -0.538 1.00 0.00 H new ATOM 0 HA PHE A 83 15.197 -10.238 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.505 -8.859 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.529 -8.956 -3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.328 -11.139 -1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.419 -10.885 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.671 -13.511 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.762 -13.255 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.885 -14.567 -3.649 1.00 0.00 H new ATOM 1309 N SER A 84 15.656 -7.853 -3.626 1.00 0.00 N ATOM 1310 CA SER A 84 16.489 -6.663 -3.967 1.00 0.00 C ATOM 1311 C SER A 84 15.612 -5.478 -4.398 1.00 0.00 C ATOM 1312 O SER A 84 16.111 -4.455 -4.820 1.00 0.00 O ATOM 1313 CB SER A 84 17.376 -7.121 -5.123 1.00 0.00 C ATOM 1314 OG SER A 84 18.190 -8.204 -4.689 1.00 0.00 O ATOM 0 H SER A 84 15.320 -8.394 -4.423 1.00 0.00 H new ATOM 0 HA SER A 84 17.069 -6.318 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.761 -7.429 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.000 -6.296 -5.467 1.00 0.00 H new ATOM 0 HG SER A 84 18.760 -8.502 -5.429 1.00 0.00 H new ATOM 1320 N THR A 85 14.311 -5.600 -4.290 1.00 0.00 N ATOM 1321 CA THR A 85 13.411 -4.467 -4.681 1.00 0.00 C ATOM 1322 C THR A 85 11.984 -4.740 -4.191 1.00 0.00 C ATOM 1323 O THR A 85 11.623 -5.869 -3.910 1.00 0.00 O ATOM 1324 CB THR A 85 13.426 -4.412 -6.215 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.726 -4.705 -6.706 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.011 -3.012 -6.674 1.00 0.00 C ATOM 0 H THR A 85 13.833 -6.434 -3.949 1.00 0.00 H new ATOM 0 HA THR A 85 13.746 -3.527 -4.243 1.00 0.00 H new ATOM 0 HB THR A 85 12.727 -5.152 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.379 -4.117 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.020 -2.969 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.007 -2.793 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.710 -2.276 -6.276 1.00 0.00 H new ATOM 1334 N ILE A 86 11.164 -3.722 -4.088 1.00 0.00 N ATOM 1335 CA ILE A 86 9.764 -3.945 -3.615 1.00 0.00 C ATOM 1336 C ILE A 86 8.932 -4.704 -4.668 1.00 0.00 C ATOM 1337 O ILE A 86 8.343 -5.718 -4.347 1.00 0.00 O ATOM 1338 CB ILE A 86 9.205 -2.545 -3.341 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.585 -2.150 -1.915 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.677 -2.544 -3.474 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.908 -1.387 -1.929 1.00 0.00 C ATOM 0 H ILE A 86 11.402 -2.755 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 86 9.729 -4.567 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 86 9.618 -1.839 -4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.802 -1.531 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.674 -3.040 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.295 -1.542 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.400 -2.845 -4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.249 -3.244 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.177 -1.106 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.689 -2.021 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.803 -0.489 -2.537 1.00 0.00 H new ATOM 1353 N PRO A 87 8.896 -4.216 -5.895 1.00 0.00 N ATOM 1354 CA PRO A 87 8.114 -4.908 -6.947 1.00 0.00 C ATOM 1355 C PRO A 87 8.545 -6.372 -7.042 1.00 0.00 C ATOM 1356 O PRO A 87 7.734 -7.257 -7.238 1.00 0.00 O ATOM 1357 CB PRO A 87 8.473 -4.122 -8.211 1.00 0.00 C ATOM 1358 CG PRO A 87 9.444 -2.991 -7.826 1.00 0.00 C ATOM 1359 CD PRO A 87 9.618 -2.985 -6.300 1.00 0.00 C ATOM 0 HA PRO A 87 7.040 -4.931 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.932 -4.780 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.574 -3.709 -8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.407 -3.138 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.057 -2.030 -8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.668 -3.016 -6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.188 -2.093 -5.845 1.00 0.00 H new ATOM 1367 N GLU A 88 9.812 -6.637 -6.873 1.00 0.00 N ATOM 1368 CA GLU A 88 10.287 -8.047 -6.920 1.00 0.00 C ATOM 1369 C GLU A 88 9.730 -8.793 -5.706 1.00 0.00 C ATOM 1370 O GLU A 88 9.276 -9.913 -5.806 1.00 0.00 O ATOM 1371 CB GLU A 88 11.813 -7.962 -6.854 1.00 0.00 C ATOM 1372 CG GLU A 88 12.408 -9.365 -6.976 1.00 0.00 C ATOM 1373 CD GLU A 88 12.105 -9.930 -8.365 1.00 0.00 C ATOM 1374 OE1 GLU A 88 12.661 -9.422 -9.324 1.00 0.00 O ATOM 1375 OE2 GLU A 88 11.320 -10.861 -8.445 1.00 0.00 O ATOM 0 H GLU A 88 10.536 -5.939 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 88 9.963 -8.578 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.187 -7.326 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.122 -7.505 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.485 -9.330 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.991 -10.016 -6.208 1.00 0.00 H new ATOM 1382 N LEU A 89 9.750 -8.158 -4.561 1.00 0.00 N ATOM 1383 CA LEU A 89 9.207 -8.804 -3.327 1.00 0.00 C ATOM 1384 C LEU A 89 7.732 -9.162 -3.535 1.00 0.00 C ATOM 1385 O LEU A 89 7.330 -10.298 -3.382 1.00 0.00 O ATOM 1386 CB LEU A 89 9.348 -7.739 -2.231 1.00 0.00 C ATOM 1387 CG LEU A 89 10.072 -8.330 -1.021 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.640 -7.197 -0.161 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.083 -9.152 -0.191 1.00 0.00 C ATOM 0 H LEU A 89 10.120 -7.217 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 89 9.731 -9.725 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.902 -6.882 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.364 -7.376 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 89 10.886 -8.970 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.156 -7.619 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.342 -6.609 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.827 -6.556 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.596 -9.575 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.271 -8.509 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.677 -9.958 -0.802 1.00 0.00 H new ATOM 1401 N ILE A 90 6.923 -8.197 -3.892 1.00 0.00 N ATOM 1402 CA ILE A 90 5.472 -8.479 -4.118 1.00 0.00 C ATOM 1403 C ILE A 90 5.312 -9.604 -5.145 1.00 0.00 C ATOM 1404 O ILE A 90 4.556 -10.535 -4.948 1.00 0.00 O ATOM 1405 CB ILE A 90 4.890 -7.169 -4.654 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.067 -6.065 -3.609 1.00 0.00 C ATOM 1407 CG2 ILE A 90 3.399 -7.353 -4.951 1.00 0.00 C ATOM 1408 CD1 ILE A 90 5.360 -4.737 -4.310 1.00 0.00 C ATOM 0 H ILE A 90 7.204 -7.227 -4.037 1.00 0.00 H new ATOM 0 HA ILE A 90 4.965 -8.803 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 90 5.411 -6.891 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.166 -5.977 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.883 -6.318 -2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.986 -6.419 -5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.271 -8.138 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.878 -7.633 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.486 -3.952 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.274 -4.829 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.530 -4.482 -4.969 1.00 0.00 H new ATOM 1420 N ASN A 91 6.027 -9.525 -6.236 1.00 0.00 N ATOM 1421 CA ASN A 91 5.925 -10.593 -7.274 1.00 0.00 C ATOM 1422 C ASN A 91 6.391 -11.929 -6.689 1.00 0.00 C ATOM 1423 O ASN A 91 5.814 -12.967 -6.947 1.00 0.00 O ATOM 1424 CB ASN A 91 6.856 -10.144 -8.404 1.00 0.00 C ATOM 1425 CG ASN A 91 6.022 -9.662 -9.592 1.00 0.00 C ATOM 1426 OD1 ASN A 91 6.245 -10.073 -10.714 1.00 0.00 O ATOM 1427 ND2 ASN A 91 5.064 -8.797 -9.393 1.00 0.00 N ATOM 0 H ASN A 91 6.676 -8.769 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 91 4.904 -10.735 -7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.508 -9.343 -8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.499 -10.969 -8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.504 -8.467 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.876 -8.452 -8.452 1.00 0.00 H new ATOM 1434 N TYR A 92 7.429 -11.904 -5.897 1.00 0.00 N ATOM 1435 CA TYR A 92 7.939 -13.167 -5.284 1.00 0.00 C ATOM 1436 C TYR A 92 6.893 -13.739 -4.315 1.00 0.00 C ATOM 1437 O TYR A 92 6.919 -14.907 -3.980 1.00 0.00 O ATOM 1438 CB TYR A 92 9.233 -12.756 -4.555 1.00 0.00 C ATOM 1439 CG TYR A 92 9.221 -13.230 -3.118 1.00 0.00 C ATOM 1440 CD1 TYR A 92 9.367 -14.590 -2.830 1.00 0.00 C ATOM 1441 CD2 TYR A 92 9.069 -12.305 -2.078 1.00 0.00 C ATOM 1442 CE1 TYR A 92 9.358 -15.027 -1.500 1.00 0.00 C ATOM 1443 CE2 TYR A 92 9.061 -12.742 -0.749 1.00 0.00 C ATOM 1444 CZ TYR A 92 9.205 -14.104 -0.459 1.00 0.00 C ATOM 1445 OH TYR A 92 9.196 -14.536 0.851 1.00 0.00 O ATOM 0 H TYR A 92 7.948 -11.062 -5.647 1.00 0.00 H new ATOM 0 HA TYR A 92 8.132 -13.950 -6.018 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.095 -13.176 -5.073 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.341 -11.672 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.487 -15.303 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.958 -11.254 -2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.469 -16.078 -1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.944 -12.029 0.053 1.00 0.00 H new ATOM 0 HH TYR A 92 9.749 -15.340 0.934 1.00 0.00 H new ATOM 1455 N HIS A 93 5.972 -12.926 -3.866 1.00 0.00 N ATOM 1456 CA HIS A 93 4.927 -13.422 -2.919 1.00 0.00 C ATOM 1457 C HIS A 93 4.210 -14.644 -3.502 1.00 0.00 C ATOM 1458 O HIS A 93 3.932 -15.600 -2.806 1.00 0.00 O ATOM 1459 CB HIS A 93 3.950 -12.256 -2.757 1.00 0.00 C ATOM 1460 CG HIS A 93 3.055 -12.510 -1.575 1.00 0.00 C ATOM 1461 ND1 HIS A 93 1.934 -11.737 -1.320 1.00 0.00 N ATOM 1462 CD2 HIS A 93 3.101 -13.447 -0.573 1.00 0.00 C ATOM 1463 CE1 HIS A 93 1.356 -12.217 -0.202 1.00 0.00 C ATOM 1464 NE2 HIS A 93 2.027 -13.260 0.294 1.00 0.00 N ATOM 0 H HIS A 93 5.898 -11.939 -4.114 1.00 0.00 H new ATOM 0 HA HIS A 93 5.355 -13.733 -1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.499 -11.325 -2.617 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.352 -12.141 -3.661 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.856 -14.213 -0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.459 -11.808 0.240 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.802 -13.803 1.128 1.00 0.00 H new ATOM 1472 N GLN A 94 3.909 -14.620 -4.773 1.00 0.00 N ATOM 1473 CA GLN A 94 3.210 -15.782 -5.397 1.00 0.00 C ATOM 1474 C GLN A 94 3.778 -16.057 -6.792 1.00 0.00 C ATOM 1475 O GLN A 94 4.516 -17.002 -6.996 1.00 0.00 O ATOM 1476 CB GLN A 94 1.740 -15.360 -5.485 1.00 0.00 C ATOM 1477 CG GLN A 94 0.875 -16.338 -4.685 1.00 0.00 C ATOM 1478 CD GLN A 94 0.635 -15.779 -3.281 1.00 0.00 C ATOM 1479 OE1 GLN A 94 -0.480 -15.153 -3.024 1.00 0.00 O flip ATOM 1480 NE2 GLN A 94 1.471 -15.913 -2.410 1.00 0.00 N flip ATOM 0 H GLN A 94 4.116 -13.847 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 94 3.336 -16.698 -4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.618 -14.349 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.418 -15.342 -6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.077 -16.496 -5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.368 -17.308 -4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.343 -16.403 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.301 -15.536 -1.478 1.00 0.00 H new ATOM 1489 N HIS A 95 3.442 -15.239 -7.756 1.00 0.00 N ATOM 1490 CA HIS A 95 3.961 -15.451 -9.139 1.00 0.00 C ATOM 1491 C HIS A 95 3.552 -14.282 -10.038 1.00 0.00 C ATOM 1492 O HIS A 95 3.137 -13.241 -9.566 1.00 0.00 O ATOM 1493 CB HIS A 95 3.315 -16.754 -9.622 1.00 0.00 C ATOM 1494 CG HIS A 95 1.816 -16.636 -9.555 1.00 0.00 C ATOM 1495 ND1 HIS A 95 1.071 -17.247 -8.558 1.00 0.00 N ATOM 1496 CD2 HIS A 95 0.910 -15.984 -10.354 1.00 0.00 C ATOM 1497 CE1 HIS A 95 -0.223 -16.952 -8.782 1.00 0.00 C ATOM 1498 NE2 HIS A 95 -0.377 -16.184 -9.863 1.00 0.00 N ATOM 0 H HIS A 95 2.829 -14.432 -7.644 1.00 0.00 H new ATOM 0 HA HIS A 95 5.049 -15.509 -9.164 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.627 -16.968 -10.644 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.651 -17.588 -9.005 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.158 -15.404 -11.231 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.038 -17.295 -8.162 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.250 -15.822 -10.247 1.00 0.00 H new ATOM 1506 N ASN A 96 3.666 -14.444 -11.329 1.00 0.00 N ATOM 1507 CA ASN A 96 3.284 -13.341 -12.258 1.00 0.00 C ATOM 1508 C ASN A 96 3.313 -13.836 -13.707 1.00 0.00 C ATOM 1509 O ASN A 96 4.359 -13.939 -14.317 1.00 0.00 O ATOM 1510 CB ASN A 96 4.339 -12.255 -12.038 1.00 0.00 C ATOM 1511 CG ASN A 96 4.038 -11.054 -12.938 1.00 0.00 C ATOM 1512 OD1 ASN A 96 3.061 -10.360 -12.738 1.00 0.00 O ATOM 1513 ND2 ASN A 96 4.842 -10.777 -13.928 1.00 0.00 N ATOM 0 H ASN A 96 4.007 -15.293 -11.781 1.00 0.00 H new ATOM 0 HA ASN A 96 2.276 -12.972 -12.070 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.344 -11.946 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.331 -12.648 -12.259 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.650 -9.979 -14.533 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.663 -11.359 -14.097 1.00 0.00 H new ATOM 1520 N SER A 97 2.169 -14.143 -14.261 1.00 0.00 N ATOM 1521 CA SER A 97 2.126 -14.631 -15.670 1.00 0.00 C ATOM 1522 C SER A 97 1.246 -13.711 -16.521 1.00 0.00 C ATOM 1523 O SER A 97 0.855 -12.643 -16.094 1.00 0.00 O ATOM 1524 CB SER A 97 1.518 -16.030 -15.586 1.00 0.00 C ATOM 1525 OG SER A 97 2.092 -16.853 -16.592 1.00 0.00 O ATOM 0 H SER A 97 1.263 -14.077 -13.798 1.00 0.00 H new ATOM 0 HA SER A 97 3.112 -14.644 -16.134 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.700 -16.460 -14.601 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.437 -15.978 -15.716 1.00 0.00 H new ATOM 0 HG SER A 97 1.705 -17.752 -16.539 1.00 0.00 H new ATOM 1531 N ALA A 98 0.932 -14.120 -17.722 1.00 0.00 N ATOM 1532 CA ALA A 98 0.078 -13.271 -18.601 1.00 0.00 C ATOM 1533 C ALA A 98 -1.226 -13.999 -18.937 1.00 0.00 C ATOM 1534 O ALA A 98 -1.403 -15.157 -18.611 1.00 0.00 O ATOM 1535 CB ALA A 98 0.908 -13.047 -19.865 1.00 0.00 C ATOM 0 H ALA A 98 1.230 -15.005 -18.131 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.198 -12.331 -18.123 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.346 -12.428 -20.565 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.840 -12.545 -19.604 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.131 -14.008 -20.329 1.00 0.00 H new ATOM 1541 N GLY A 99 -2.139 -13.328 -19.588 1.00 0.00 N ATOM 1542 CA GLY A 99 -3.432 -13.978 -19.947 1.00 0.00 C ATOM 1543 C GLY A 99 -4.530 -12.916 -20.036 1.00 0.00 C ATOM 1544 O GLY A 99 -5.058 -12.646 -21.098 1.00 0.00 O ATOM 0 H GLY A 99 -2.044 -12.357 -19.887 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.337 -14.499 -20.900 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.695 -14.726 -19.199 1.00 0.00 H new ATOM 1548 N LEU A 100 -4.874 -12.312 -18.931 1.00 0.00 N ATOM 1549 CA LEU A 100 -5.936 -11.264 -18.950 1.00 0.00 C ATOM 1550 C LEU A 100 -5.631 -10.187 -17.905 1.00 0.00 C ATOM 1551 O LEU A 100 -5.408 -9.038 -18.231 1.00 0.00 O ATOM 1552 CB LEU A 100 -7.231 -12.004 -18.601 1.00 0.00 C ATOM 1553 CG LEU A 100 -8.281 -11.737 -19.682 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -8.214 -12.838 -20.741 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -9.673 -11.726 -19.048 1.00 0.00 C ATOM 0 H LEU A 100 -4.466 -12.499 -18.015 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.004 -10.760 -19.914 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.040 -13.074 -18.521 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.601 -11.673 -17.631 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.085 -10.771 -20.148 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.962 -12.648 -21.511 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.222 -12.848 -21.193 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.410 -13.804 -20.275 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.422 -11.536 -19.817 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.868 -12.692 -18.582 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.722 -10.942 -18.292 1.00 0.00 H new ATOM 1567 N ILE A 101 -5.619 -10.553 -16.650 1.00 0.00 N ATOM 1568 CA ILE A 101 -5.328 -9.552 -15.582 1.00 0.00 C ATOM 1569 C ILE A 101 -3.825 -9.259 -15.524 1.00 0.00 C ATOM 1570 O ILE A 101 -3.078 -9.627 -16.410 1.00 0.00 O ATOM 1571 CB ILE A 101 -5.802 -10.203 -14.279 1.00 0.00 C ATOM 1572 CG1 ILE A 101 -5.070 -11.533 -14.064 1.00 0.00 C ATOM 1573 CG2 ILE A 101 -7.307 -10.463 -14.358 1.00 0.00 C ATOM 1574 CD1 ILE A 101 -4.936 -11.806 -12.564 1.00 0.00 C ATOM 0 H ILE A 101 -5.798 -11.501 -16.319 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.829 -8.601 -15.764 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.586 -9.534 -13.446 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.618 -12.344 -14.544 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.084 -11.497 -14.527 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.645 -10.926 -13.431 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.832 -9.519 -14.505 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.518 -11.129 -15.195 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.416 -12.752 -12.411 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.370 -11.000 -12.097 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.927 -11.861 -12.114 1.00 0.00 H new ATOM 1586 N SER A 102 -3.380 -8.602 -14.487 1.00 0.00 N ATOM 1587 CA SER A 102 -1.926 -8.285 -14.370 1.00 0.00 C ATOM 1588 C SER A 102 -1.522 -8.207 -12.895 1.00 0.00 C ATOM 1589 O SER A 102 -1.048 -7.192 -12.424 1.00 0.00 O ATOM 1590 CB SER A 102 -1.763 -6.923 -15.044 1.00 0.00 C ATOM 1591 OG SER A 102 -2.519 -5.953 -14.332 1.00 0.00 O ATOM 0 H SER A 102 -3.960 -8.271 -13.716 1.00 0.00 H new ATOM 0 HA SER A 102 -1.297 -9.046 -14.833 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.711 -6.638 -15.064 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.099 -6.974 -16.080 1.00 0.00 H new ATOM 0 HG SER A 102 -2.201 -5.906 -13.406 1.00 0.00 H new ATOM 1597 N ARG A 103 -1.706 -9.276 -12.162 1.00 0.00 N ATOM 1598 CA ARG A 103 -1.337 -9.274 -10.713 1.00 0.00 C ATOM 1599 C ARG A 103 -1.979 -8.078 -10.001 1.00 0.00 C ATOM 1600 O ARG A 103 -2.862 -7.432 -10.531 1.00 0.00 O ATOM 1601 CB ARG A 103 0.191 -9.160 -10.687 1.00 0.00 C ATOM 1602 CG ARG A 103 0.773 -10.269 -9.806 1.00 0.00 C ATOM 1603 CD ARG A 103 2.268 -10.021 -9.588 1.00 0.00 C ATOM 1604 NE ARG A 103 2.373 -9.500 -8.196 1.00 0.00 N ATOM 1605 CZ ARG A 103 1.991 -8.284 -7.923 1.00 0.00 C ATOM 1606 NH1 ARG A 103 2.353 -7.296 -8.695 1.00 0.00 N ATOM 1607 NH2 ARG A 103 1.247 -8.053 -6.875 1.00 0.00 N ATOM 0 H ARG A 103 -2.097 -10.153 -12.506 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.685 -10.171 -10.201 1.00 0.00 H new ATOM 0 HB2 ARG A 103 0.589 -9.239 -11.699 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.487 -8.184 -10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.255 -10.295 -8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.620 -11.240 -10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 103 2.842 -10.939 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 103 2.658 -9.303 -10.309 1.00 0.00 H new ATOM 0 HE ARG A 103 2.744 -10.096 -7.456 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.935 -7.475 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.053 -6.345 -8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.965 -8.824 -6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.948 -7.101 -6.661 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.540 -7.778 -8.806 1.00 0.00 N ATOM 1622 CA LEU A 104 -2.122 -6.624 -8.053 1.00 0.00 C ATOM 1623 C LEU A 104 -3.625 -6.832 -7.846 1.00 0.00 C ATOM 1624 O LEU A 104 -4.250 -7.620 -8.527 1.00 0.00 O ATOM 1625 CB LEU A 104 -1.866 -5.397 -8.934 1.00 0.00 C ATOM 1626 CG LEU A 104 -1.956 -4.126 -8.087 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -0.910 -3.119 -8.566 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -3.353 -3.515 -8.230 1.00 0.00 C ATOM 0 H LEU A 104 -0.801 -8.283 -8.317 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.676 -6.512 -7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.882 -5.468 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.596 -5.359 -9.743 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.772 -4.373 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.974 -2.213 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.085 -3.552 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.094 -2.872 -9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.418 -2.609 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.537 -3.268 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.100 -4.232 -7.890 1.00 0.00 H new ATOM 1640 N LYS A 105 -4.209 -6.134 -6.910 1.00 0.00 N ATOM 1641 CA LYS A 105 -5.671 -6.298 -6.664 1.00 0.00 C ATOM 1642 C LYS A 105 -6.466 -5.315 -7.536 1.00 0.00 C ATOM 1643 O LYS A 105 -6.873 -5.649 -8.632 1.00 0.00 O ATOM 1644 CB LYS A 105 -5.863 -6.003 -5.175 1.00 0.00 C ATOM 1645 CG LYS A 105 -5.081 -7.028 -4.350 1.00 0.00 C ATOM 1646 CD LYS A 105 -5.255 -6.725 -2.859 1.00 0.00 C ATOM 1647 CE LYS A 105 -3.927 -6.951 -2.131 1.00 0.00 C ATOM 1648 NZ LYS A 105 -4.297 -7.631 -0.859 1.00 0.00 N ATOM 0 H LYS A 105 -3.739 -5.459 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.028 -7.296 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.518 -4.995 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.922 -6.044 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.435 -8.035 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.025 -6.996 -4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.585 -5.695 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.028 -7.366 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.251 -7.566 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.416 -6.007 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.438 -7.820 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.936 -7.020 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.776 -8.529 -1.072 1.00 0.00 H new ATOM 1662 N TYR A 106 -6.692 -4.108 -7.074 1.00 0.00 N ATOM 1663 CA TYR A 106 -7.459 -3.133 -7.902 1.00 0.00 C ATOM 1664 C TYR A 106 -6.710 -1.793 -7.977 1.00 0.00 C ATOM 1665 O TYR A 106 -6.503 -1.158 -6.962 1.00 0.00 O ATOM 1666 CB TYR A 106 -8.788 -2.959 -7.170 1.00 0.00 C ATOM 1667 CG TYR A 106 -9.784 -2.297 -8.086 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.555 -0.995 -8.546 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.938 -2.984 -8.472 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.481 -0.381 -9.397 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -11.865 -2.371 -9.323 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.636 -1.069 -9.786 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.551 -0.464 -10.625 1.00 0.00 O ATOM 0 H TYR A 106 -6.380 -3.761 -6.167 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.596 -3.478 -8.927 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.166 -3.928 -6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.645 -2.355 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.664 -0.464 -8.244 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.115 -3.987 -8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.304 0.623 -9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.757 -2.902 -9.623 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.457 -0.829 -11.529 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.329 -1.395 -9.172 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.607 -0.111 -9.347 1.00 0.00 C ATOM 1685 C PRO A 107 -6.511 1.066 -8.977 1.00 0.00 C ATOM 1686 O PRO A 107 -6.967 1.808 -9.825 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.278 -0.104 -10.840 1.00 0.00 C ATOM 1688 CG PRO A 107 -5.836 -1.393 -11.476 1.00 0.00 C ATOM 1689 CD PRO A 107 -6.582 -2.191 -10.398 1.00 0.00 C ATOM 0 HA PRO A 107 -4.724 -0.017 -8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.714 0.773 -11.319 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.200 -0.045 -10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.509 -1.148 -12.298 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.025 -1.989 -11.894 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.647 -2.271 -10.617 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.198 -3.207 -10.308 1.00 0.00 H new ATOM 1697 N VAL A 108 -6.770 1.240 -7.715 1.00 0.00 N ATOM 1698 CA VAL A 108 -7.631 2.363 -7.273 1.00 0.00 C ATOM 1699 C VAL A 108 -6.851 3.265 -6.313 1.00 0.00 C ATOM 1700 O VAL A 108 -6.909 3.102 -5.109 1.00 0.00 O ATOM 1701 CB VAL A 108 -8.799 1.688 -6.558 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -8.286 0.835 -5.392 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -9.756 2.755 -6.028 1.00 0.00 C ATOM 0 H VAL A 108 -6.418 0.646 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.967 2.993 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.322 1.043 -7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.129 0.359 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.610 0.069 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.754 1.470 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.590 2.274 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.227 3.403 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.134 3.350 -6.859 1.00 0.00 H new ATOM 1713 N SER A 109 -6.117 4.212 -6.829 1.00 0.00 N ATOM 1714 CA SER A 109 -5.339 5.105 -5.932 1.00 0.00 C ATOM 1715 C SER A 109 -6.107 6.402 -5.688 1.00 0.00 C ATOM 1716 O SER A 109 -7.304 6.381 -5.477 1.00 0.00 O ATOM 1717 CB SER A 109 -4.024 5.359 -6.663 1.00 0.00 C ATOM 1718 OG SER A 109 -3.362 4.118 -6.855 1.00 0.00 O ATOM 0 H SER A 109 -6.024 4.404 -7.826 1.00 0.00 H new ATOM 0 HA SER A 109 -5.164 4.664 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.212 5.839 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.396 6.037 -6.085 1.00 0.00 H new ATOM 0 HG SER A 109 -2.564 4.255 -7.407 1.00 0.00 H new ATOM 1724 N GLN A 110 -5.437 7.526 -5.695 1.00 0.00 N ATOM 1725 CA GLN A 110 -6.138 8.816 -5.446 1.00 0.00 C ATOM 1726 C GLN A 110 -7.462 8.869 -6.220 1.00 0.00 C ATOM 1727 O GLN A 110 -8.497 9.189 -5.668 1.00 0.00 O ATOM 1728 CB GLN A 110 -5.170 9.901 -5.928 1.00 0.00 C ATOM 1729 CG GLN A 110 -4.762 9.634 -7.380 1.00 0.00 C ATOM 1730 CD GLN A 110 -3.484 10.411 -7.703 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -3.422 11.118 -8.690 1.00 0.00 O ATOM 1732 NE2 GLN A 110 -2.453 10.309 -6.909 1.00 0.00 N ATOM 0 H GLN A 110 -4.434 7.603 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.394 8.948 -4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.641 10.881 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.286 9.920 -5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.600 8.567 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -5.563 9.935 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.504 9.716 -6.081 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.596 10.822 -7.117 1.00 0.00 H new ATOM 1741 N GLN A 111 -7.440 8.525 -7.483 1.00 0.00 N ATOM 1742 CA GLN A 111 -8.694 8.520 -8.296 1.00 0.00 C ATOM 1743 C GLN A 111 -9.548 9.768 -8.033 1.00 0.00 C ATOM 1744 O GLN A 111 -9.096 10.734 -7.451 1.00 0.00 O ATOM 1745 CB GLN A 111 -9.425 7.265 -7.826 1.00 0.00 C ATOM 1746 CG GLN A 111 -8.776 6.034 -8.464 1.00 0.00 C ATOM 1747 CD GLN A 111 -9.854 5.003 -8.799 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -10.901 4.979 -8.183 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -9.642 4.143 -9.758 1.00 0.00 N ATOM 0 H GLN A 111 -6.600 8.245 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.489 8.526 -9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -9.383 7.191 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -10.478 7.319 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.239 6.321 -9.368 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.044 5.601 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.763 4.163 -10.276 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.355 3.451 -9.990 1.00 0.00 H new ATOM 1758 N ASN A 112 -10.784 9.741 -8.457 1.00 0.00 N ATOM 1759 CA ASN A 112 -11.682 10.902 -8.235 1.00 0.00 C ATOM 1760 C ASN A 112 -12.890 10.484 -7.385 1.00 0.00 C ATOM 1761 O ASN A 112 -13.827 11.239 -7.210 1.00 0.00 O ATOM 1762 CB ASN A 112 -12.129 11.335 -9.632 1.00 0.00 C ATOM 1763 CG ASN A 112 -12.727 12.742 -9.566 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -13.922 12.913 -9.708 1.00 0.00 O ATOM 1765 ND2 ASN A 112 -11.942 13.762 -9.354 1.00 0.00 N ATOM 0 H ASN A 112 -11.209 8.956 -8.951 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.184 11.711 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -11.281 11.321 -10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.866 10.634 -10.023 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.331 14.704 -9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.939 13.618 -9.235 1.00 0.00 H new ATOM 1772 N LYS A 113 -12.871 9.285 -6.855 1.00 0.00 N ATOM 1773 CA LYS A 113 -14.010 8.807 -6.009 1.00 0.00 C ATOM 1774 C LYS A 113 -15.313 8.838 -6.808 1.00 0.00 C ATOM 1775 O LYS A 113 -16.308 9.380 -6.365 1.00 0.00 O ATOM 1776 CB LYS A 113 -14.088 9.783 -4.828 1.00 0.00 C ATOM 1777 CG LYS A 113 -12.691 10.005 -4.243 1.00 0.00 C ATOM 1778 CD LYS A 113 -12.100 8.661 -3.809 1.00 0.00 C ATOM 1779 CE LYS A 113 -10.966 8.261 -4.763 1.00 0.00 C ATOM 1780 NZ LYS A 113 -11.371 6.949 -5.353 1.00 0.00 N ATOM 0 H LYS A 113 -12.112 8.614 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.860 7.780 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.509 10.733 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -14.754 9.387 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.045 10.476 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.745 10.683 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -11.722 8.732 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.875 7.895 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.826 9.012 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.019 8.174 -4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -10.570 6.287 -5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -12.171 6.559 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.654 7.087 -6.344 1.00 0.00 H new ATOM 1794 N ASN A 114 -15.318 8.268 -7.983 1.00 0.00 N ATOM 1795 CA ASN A 114 -16.560 8.277 -8.810 1.00 0.00 C ATOM 1796 C ASN A 114 -16.366 7.436 -10.077 1.00 0.00 C ATOM 1797 O ASN A 114 -15.568 6.521 -10.109 1.00 0.00 O ATOM 1798 CB ASN A 114 -16.779 9.746 -9.166 1.00 0.00 C ATOM 1799 CG ASN A 114 -18.223 10.144 -8.854 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -19.015 10.497 -9.829 1.00 0.00 O flip ATOM 1801 ND2 ASN A 114 -18.635 10.133 -7.710 1.00 0.00 N flip ATOM 0 H ASN A 114 -14.518 7.797 -8.406 1.00 0.00 H new ATOM 0 HA ASN A 114 -17.413 7.851 -8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -16.089 10.373 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.567 9.909 -10.223 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -18.016 9.857 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -19.600 10.400 -7.513 1.00 0.00 H new ATOM 1808 N ALA A 115 -17.096 7.741 -11.122 1.00 0.00 N ATOM 1809 CA ALA A 115 -16.962 6.964 -12.393 1.00 0.00 C ATOM 1810 C ALA A 115 -17.243 5.477 -12.142 1.00 0.00 C ATOM 1811 O ALA A 115 -16.329 4.681 -12.072 1.00 0.00 O ATOM 1812 CB ALA A 115 -15.514 7.171 -12.844 1.00 0.00 C ATOM 0 H ALA A 115 -17.781 8.497 -11.149 1.00 0.00 H new ATOM 0 HA ALA A 115 -17.672 7.296 -13.151 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.341 6.628 -13.773 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.331 8.234 -13.005 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.837 6.799 -12.075 1.00 0.00 H new ATOM 1818 N PRO A 116 -18.506 5.145 -12.013 1.00 0.00 N ATOM 1819 CA PRO A 116 -18.905 3.738 -11.770 1.00 0.00 C ATOM 1820 C PRO A 116 -18.479 2.849 -12.943 1.00 0.00 C ATOM 1821 O PRO A 116 -18.987 2.970 -14.041 1.00 0.00 O ATOM 1822 CB PRO A 116 -20.431 3.831 -11.675 1.00 0.00 C ATOM 1823 CG PRO A 116 -20.852 5.300 -11.871 1.00 0.00 C ATOM 1824 CD PRO A 116 -19.596 6.148 -12.103 1.00 0.00 C ATOM 0 HA PRO A 116 -18.446 3.299 -10.884 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -20.895 3.201 -12.434 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -20.772 3.467 -10.706 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -21.529 5.388 -12.721 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -21.392 5.658 -10.994 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -19.614 6.641 -13.075 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -19.490 6.930 -11.351 1.00 0.00 H new ATOM 1832 N SER A 117 -17.549 1.960 -12.719 1.00 0.00 N ATOM 1833 CA SER A 117 -17.090 1.062 -13.819 1.00 0.00 C ATOM 1834 C SER A 117 -16.471 -0.212 -13.238 1.00 0.00 C ATOM 1835 O SER A 117 -16.385 -0.380 -12.038 1.00 0.00 O ATOM 1836 CB SER A 117 -16.039 1.872 -14.578 1.00 0.00 C ATOM 1837 OG SER A 117 -16.568 2.259 -15.840 1.00 0.00 O ATOM 0 H SER A 117 -17.087 1.816 -11.821 1.00 0.00 H new ATOM 0 HA SER A 117 -17.909 0.749 -14.467 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.757 2.754 -14.003 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.135 1.279 -14.716 1.00 0.00 H new ATOM 0 HG SER A 117 -17.472 2.618 -15.720 1.00 0.00 H new ATOM 1843 N THR A 118 -16.040 -1.110 -14.083 1.00 0.00 N ATOM 1844 CA THR A 118 -15.426 -2.375 -13.582 1.00 0.00 C ATOM 1845 C THR A 118 -14.146 -2.069 -12.799 1.00 0.00 C ATOM 1846 O THR A 118 -13.664 -0.953 -12.902 1.00 0.00 O ATOM 1847 CB THR A 118 -15.107 -3.193 -14.838 1.00 0.00 C ATOM 1848 OG1 THR A 118 -14.456 -4.399 -14.462 1.00 0.00 O ATOM 1849 CG2 THR A 118 -14.194 -2.387 -15.766 1.00 0.00 C ATOM 0 H THR A 118 -16.086 -1.023 -15.098 1.00 0.00 H new ATOM 0 HA THR A 118 -16.090 -2.914 -12.906 1.00 0.00 H new ATOM 0 HB THR A 118 -16.034 -3.425 -15.362 1.00 0.00 H new ATOM 0 HG1 THR A 118 -14.253 -4.925 -15.264 1.00 0.00 H new ATOM 0 HG21 THR A 118 -13.971 -2.974 -16.657 1.00 0.00 H new ATOM 0 HG22 THR A 118 -14.694 -1.463 -16.056 1.00 0.00 H new ATOM 0 HG23 THR A 118 -13.266 -2.149 -15.247 1.00 0.00 H new TER 1857 THR A 118