USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 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 59 SER OG : rot -167:sc= 2.13 USER MOD Set 1.2: A 94 HIS : no HE2:sc= -0.933 K(o=1.9,f=-5.9!) USER MOD Set 1.3: A 105 TYR OH : rot -28:sc= 0.724 USER MOD Set 2.1: A 26 THR OG1 : rot 17:sc= 1.15 USER MOD Set 2.2: A 39 ASN : amide:sc= -1.07 K(o=0.08,f=0.87) USER MOD Set 2.3: A 47 THR OG1 : rot 180:sc= 0.00499 USER MOD Set 2.4: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.5: A 75 TYR OH : rot 15:sc=-0.000672 USER MOD Set 3.1: A 23 THR OG1 : rot -3:sc= 1.14 USER MOD Set 3.2: A 74 HIS : no HD1:sc= -0.106 X(o=1,f=1.1) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0337 (180deg=-0.327) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.626 (180deg=0.193) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.105 (180deg=-0.449) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.082 K(o=-0.082,f=-0.95) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -140:sc= 1.2 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 130:sc= 0.432 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.787 K(o=0.79,f=-6.1!) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 1.19 (180deg=1.08) USER MOD Single : A 60 SER OG : rot 96:sc= 1.25 USER MOD Single : A 61 SER OG : rot 7:sc= 1.03 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 71 THR OG1 : rot 174:sc= 1.28 USER MOD Single : A 72 CYS SG : rot 180:sc= -0.345 USER MOD Single : A 76 GLN : amide:sc= 0.871 K(o=0.87,f=-6.5!) USER MOD Single : A 77 ASN : amide:sc= -3.15! K(o=-3.2!,f=-1.8) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 87 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.41) USER MOD Single : A 89 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-6!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc=-0.00783 USER MOD Single : A 107 ASN : amide:sc= 1.62 K(o=1.6,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.359 -6.291 8.937 1.00 0.00 N ATOM 2 CA MET A 1 -11.475 -7.452 8.687 1.00 0.00 C ATOM 3 C MET A 1 -10.211 -6.998 7.973 1.00 0.00 C ATOM 4 O MET A 1 -10.225 -5.989 7.269 1.00 0.00 O ATOM 5 CB MET A 1 -12.215 -8.504 7.845 1.00 0.00 C ATOM 6 CG MET A 1 -11.363 -9.705 7.448 1.00 0.00 C ATOM 7 SD MET A 1 -10.679 -10.586 8.868 1.00 0.00 S ATOM 8 CE MET A 1 -12.172 -11.168 9.666 1.00 0.00 C ATOM 0 H1 MET A 1 -12.877 -6.434 9.827 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.785 -5.426 9.006 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.037 -6.196 8.154 1.00 0.00 H new ATOM 0 HA MET A 1 -11.197 -7.900 9.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.081 -8.857 8.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.594 -8.027 6.941 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.968 -10.393 6.858 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.547 -9.369 6.809 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.919 -11.940 10.393 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.660 -10.337 10.175 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.847 -11.582 8.917 1.00 0.00 H new ATOM 20 N TYR A 2 -9.119 -7.726 8.186 1.00 0.00 N ATOM 21 CA TYR A 2 -7.862 -7.445 7.502 1.00 0.00 C ATOM 22 C TYR A 2 -8.055 -7.497 5.994 1.00 0.00 C ATOM 23 O TYR A 2 -8.675 -8.424 5.465 1.00 0.00 O ATOM 24 CB TYR A 2 -6.776 -8.427 7.949 1.00 0.00 C ATOM 25 CG TYR A 2 -6.212 -8.107 9.316 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.972 -8.285 10.463 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.921 -7.610 9.453 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.466 -7.976 11.709 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.406 -7.303 10.697 1.00 0.00 C ATOM 30 CZ TYR A 2 -5.182 -7.486 11.821 1.00 0.00 C ATOM 31 OH TYR A 2 -4.674 -7.169 13.060 1.00 0.00 O ATOM 0 H TYR A 2 -9.080 -8.517 8.829 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.538 -6.439 7.769 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -7.189 -9.436 7.960 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.967 -8.422 7.219 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.977 -8.672 10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.312 -7.462 8.574 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.072 -8.117 12.592 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.400 -6.921 10.789 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.757 -6.838 12.963 1.00 0.00 H new ATOM 41 N LEU A 3 -7.523 -6.494 5.316 1.00 0.00 N ATOM 42 CA LEU A 3 -7.778 -6.303 3.898 1.00 0.00 C ATOM 43 C LEU A 3 -6.967 -7.272 3.049 1.00 0.00 C ATOM 44 O LEU A 3 -5.766 -7.448 3.257 1.00 0.00 O ATOM 45 CB LEU A 3 -7.453 -4.861 3.496 1.00 0.00 C ATOM 46 CG LEU A 3 -8.198 -3.778 4.280 1.00 0.00 C ATOM 47 CD1 LEU A 3 -7.769 -2.395 3.814 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.703 -3.950 4.131 1.00 0.00 C ATOM 0 H LEU A 3 -6.907 -5.794 5.729 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.835 -6.502 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.382 -4.701 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.677 -4.738 2.436 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.945 -3.880 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.308 -1.636 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.697 -2.274 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.994 -2.283 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.216 -3.171 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.975 -3.875 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.997 -4.928 4.513 1.00 0.00 H new ATOM 60 N ARG A 4 -7.638 -7.900 2.097 1.00 0.00 N ATOM 61 CA ARG A 4 -6.985 -8.796 1.155 1.00 0.00 C ATOM 62 C ARG A 4 -6.120 -7.979 0.197 1.00 0.00 C ATOM 63 O ARG A 4 -6.464 -6.842 -0.121 1.00 0.00 O ATOM 64 CB ARG A 4 -8.035 -9.579 0.360 1.00 0.00 C ATOM 65 CG ARG A 4 -9.095 -10.243 1.224 1.00 0.00 C ATOM 66 CD ARG A 4 -10.147 -10.939 0.373 1.00 0.00 C ATOM 67 NE ARG A 4 -9.613 -12.114 -0.313 1.00 0.00 N ATOM 68 CZ ARG A 4 -9.891 -12.439 -1.576 1.00 0.00 C ATOM 69 NH1 ARG A 4 -10.664 -11.658 -2.320 1.00 0.00 N ATOM 70 NH2 ARG A 4 -9.385 -13.547 -2.097 1.00 0.00 N ATOM 0 H ARG A 4 -8.644 -7.805 1.955 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.360 -9.500 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.524 -8.903 -0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.532 -10.344 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.624 -10.968 1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.573 -9.495 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.983 -11.238 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.539 -10.237 -0.363 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.986 -12.726 0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.051 -10.800 -1.927 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.871 -11.915 -3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.785 -14.148 -1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.596 -13.799 -3.063 1.00 0.00 H new ATOM 84 N PRO A 5 -4.990 -8.534 -0.266 1.00 0.00 N ATOM 85 CA PRO A 5 -4.081 -7.845 -1.191 1.00 0.00 C ATOM 86 C PRO A 5 -4.815 -7.262 -2.402 1.00 0.00 C ATOM 87 O PRO A 5 -4.614 -6.101 -2.766 1.00 0.00 O ATOM 88 CB PRO A 5 -3.094 -8.942 -1.627 1.00 0.00 C ATOM 89 CG PRO A 5 -3.658 -10.227 -1.112 1.00 0.00 C ATOM 90 CD PRO A 5 -4.494 -9.868 0.080 1.00 0.00 C ATOM 0 HA PRO A 5 -3.595 -6.992 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.992 -8.967 -2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.101 -8.759 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.259 -10.722 -1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.862 -10.919 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.309 -10.576 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.907 -9.856 0.998 1.00 0.00 H new ATOM 98 N ASP A 6 -5.674 -8.073 -3.008 1.00 0.00 N ATOM 99 CA ASP A 6 -6.485 -7.644 -4.144 1.00 0.00 C ATOM 100 C ASP A 6 -7.392 -6.476 -3.766 1.00 0.00 C ATOM 101 O ASP A 6 -7.548 -5.528 -4.539 1.00 0.00 O ATOM 102 CB ASP A 6 -7.323 -8.814 -4.673 1.00 0.00 C ATOM 103 CG ASP A 6 -8.144 -9.476 -3.585 1.00 0.00 C ATOM 104 OD1 ASP A 6 -7.574 -10.293 -2.831 1.00 0.00 O ATOM 105 OD2 ASP A 6 -9.346 -9.168 -3.469 1.00 0.00 O ATOM 0 H ASP A 6 -5.829 -9.042 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.809 -7.307 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.988 -8.455 -5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.663 -9.553 -5.127 1.00 0.00 H new ATOM 110 N GLU A 7 -7.970 -6.537 -2.568 1.00 0.00 N ATOM 111 CA GLU A 7 -8.873 -5.492 -2.105 1.00 0.00 C ATOM 112 C GLU A 7 -8.105 -4.206 -1.823 1.00 0.00 C ATOM 113 O GLU A 7 -8.580 -3.112 -2.131 1.00 0.00 O ATOM 114 CB GLU A 7 -9.644 -5.946 -0.858 1.00 0.00 C ATOM 115 CG GLU A 7 -10.658 -4.924 -0.366 1.00 0.00 C ATOM 116 CD GLU A 7 -11.749 -5.538 0.487 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.622 -6.239 -0.070 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.763 -5.301 1.711 1.00 0.00 O ATOM 0 H GLU A 7 -7.828 -7.298 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.596 -5.295 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.160 -6.880 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.934 -6.156 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.142 -4.156 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.111 -4.427 -1.224 1.00 0.00 H new ATOM 125 N VAL A 8 -6.912 -4.342 -1.252 1.00 0.00 N ATOM 126 CA VAL A 8 -6.039 -3.195 -1.025 1.00 0.00 C ATOM 127 C VAL A 8 -5.737 -2.505 -2.349 1.00 0.00 C ATOM 128 O VAL A 8 -5.889 -1.289 -2.478 1.00 0.00 O ATOM 129 CB VAL A 8 -4.710 -3.604 -0.349 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.788 -2.404 -0.178 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.975 -4.262 0.994 1.00 0.00 C ATOM 0 H VAL A 8 -6.528 -5.233 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.563 -2.513 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.212 -4.324 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.861 -2.722 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.564 -1.975 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.278 -1.654 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.028 -4.543 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.502 -3.563 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.586 -5.153 0.848 1.00 0.00 H new ATOM 141 N ALA A 9 -5.335 -3.301 -3.335 1.00 0.00 N ATOM 142 CA ALA A 9 -5.053 -2.792 -4.670 1.00 0.00 C ATOM 143 C ALA A 9 -6.277 -2.093 -5.252 1.00 0.00 C ATOM 144 O ALA A 9 -6.164 -1.030 -5.866 1.00 0.00 O ATOM 145 CB ALA A 9 -4.599 -3.925 -5.579 1.00 0.00 C ATOM 0 H ALA A 9 -5.197 -4.306 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.249 -2.060 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.391 -3.532 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.695 -4.378 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.385 -4.677 -5.643 1.00 0.00 H new ATOM 151 N ARG A 10 -7.443 -2.694 -5.040 1.00 0.00 N ATOM 152 CA ARG A 10 -8.702 -2.123 -5.502 1.00 0.00 C ATOM 153 C ARG A 10 -8.949 -0.749 -4.880 1.00 0.00 C ATOM 154 O ARG A 10 -9.267 0.198 -5.591 1.00 0.00 O ATOM 155 CB ARG A 10 -9.870 -3.076 -5.205 1.00 0.00 C ATOM 156 CG ARG A 10 -11.240 -2.412 -5.266 1.00 0.00 C ATOM 157 CD ARG A 10 -12.368 -3.428 -5.373 1.00 0.00 C ATOM 158 NE ARG A 10 -12.121 -4.634 -4.582 1.00 0.00 N ATOM 159 CZ ARG A 10 -12.671 -4.887 -3.395 1.00 0.00 C ATOM 160 NH1 ARG A 10 -13.460 -3.995 -2.808 1.00 0.00 N ATOM 161 NH2 ARG A 10 -12.425 -6.044 -2.796 1.00 0.00 N ATOM 0 H ARG A 10 -7.542 -3.582 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.634 -1.990 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.844 -3.900 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.730 -3.508 -4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.386 -1.802 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.278 -1.739 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.299 -2.967 -5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.503 -3.706 -6.418 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.483 -5.330 -4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.651 -3.104 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.875 -4.201 -1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.819 -6.732 -3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.842 -6.247 -1.887 1.00 0.00 H new ATOM 175 N VAL A 11 -8.792 -0.643 -3.561 1.00 0.00 N ATOM 176 CA VAL A 11 -9.010 0.626 -2.868 1.00 0.00 C ATOM 177 C VAL A 11 -8.046 1.698 -3.374 1.00 0.00 C ATOM 178 O VAL A 11 -8.454 2.830 -3.644 1.00 0.00 O ATOM 179 CB VAL A 11 -8.865 0.487 -1.334 1.00 0.00 C ATOM 180 CG1 VAL A 11 -9.058 1.836 -0.651 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.863 -0.524 -0.787 1.00 0.00 C ATOM 0 H VAL A 11 -8.516 -1.415 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.035 0.926 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.857 0.130 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.952 1.716 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.307 2.538 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.053 2.219 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.743 -0.606 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.877 -0.195 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.685 -1.496 -1.246 1.00 0.00 H new ATOM 191 N LEU A 12 -6.777 1.331 -3.521 1.00 0.00 N ATOM 192 CA LEU A 12 -5.765 2.258 -4.017 1.00 0.00 C ATOM 193 C LEU A 12 -6.157 2.773 -5.400 1.00 0.00 C ATOM 194 O LEU A 12 -6.243 3.981 -5.633 1.00 0.00 O ATOM 195 CB LEU A 12 -4.395 1.575 -4.109 1.00 0.00 C ATOM 196 CG LEU A 12 -3.881 0.917 -2.828 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.524 0.278 -3.072 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.791 1.923 -1.696 1.00 0.00 C ATOM 0 H LEU A 12 -6.425 0.399 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.701 3.090 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.443 0.815 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.664 2.316 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.590 0.142 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.170 -0.187 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.613 -0.480 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.814 1.042 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.423 1.428 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.107 2.724 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.779 2.341 -1.501 1.00 0.00 H new ATOM 210 N GLU A 13 -6.396 1.836 -6.306 1.00 0.00 N ATOM 211 CA GLU A 13 -6.745 2.149 -7.685 1.00 0.00 C ATOM 212 C GLU A 13 -8.042 2.959 -7.748 1.00 0.00 C ATOM 213 O GLU A 13 -8.163 3.905 -8.532 1.00 0.00 O ATOM 214 CB GLU A 13 -6.884 0.847 -8.467 1.00 0.00 C ATOM 215 CG GLU A 13 -6.852 1.015 -9.971 1.00 0.00 C ATOM 216 CD GLU A 13 -6.953 -0.312 -10.685 1.00 0.00 C ATOM 217 OE1 GLU A 13 -5.902 -0.952 -10.911 1.00 0.00 O ATOM 218 OE2 GLU A 13 -8.085 -0.729 -11.009 1.00 0.00 O ATOM 0 H GLU A 13 -6.354 0.837 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.957 2.757 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.080 0.172 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.822 0.367 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.674 1.659 -10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.928 1.515 -10.262 1.00 0.00 H new ATOM 225 N LYS A 14 -8.995 2.584 -6.899 1.00 0.00 N ATOM 226 CA LYS A 14 -10.290 3.257 -6.804 1.00 0.00 C ATOM 227 C LYS A 14 -10.109 4.727 -6.459 1.00 0.00 C ATOM 228 O LYS A 14 -10.769 5.601 -7.025 1.00 0.00 O ATOM 229 CB LYS A 14 -11.127 2.590 -5.712 1.00 0.00 C ATOM 230 CG LYS A 14 -12.612 2.904 -5.772 1.00 0.00 C ATOM 231 CD LYS A 14 -13.250 2.359 -7.037 1.00 0.00 C ATOM 232 CE LYS A 14 -14.768 2.432 -6.968 1.00 0.00 C ATOM 233 NZ LYS A 14 -15.318 1.565 -5.890 1.00 0.00 N ATOM 0 H LYS A 14 -8.891 1.801 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.793 3.180 -7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.994 1.510 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.743 2.898 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.110 2.478 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.758 3.983 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.896 2.925 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.940 1.325 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.074 3.464 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.190 2.130 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.318 1.357 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.781 0.675 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.240 2.056 -4.976 1.00 0.00 H new ATOM 247 N ALA A 15 -9.220 4.978 -5.512 1.00 0.00 N ATOM 248 CA ALA A 15 -8.921 6.332 -5.063 1.00 0.00 C ATOM 249 C ALA A 15 -8.306 7.169 -6.182 1.00 0.00 C ATOM 250 O ALA A 15 -8.460 8.390 -6.209 1.00 0.00 O ATOM 251 CB ALA A 15 -7.993 6.297 -3.858 1.00 0.00 C ATOM 0 H ALA A 15 -8.686 4.253 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.861 6.802 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.779 7.315 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.472 5.751 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.062 5.799 -4.130 1.00 0.00 H new ATOM 257 N GLY A 16 -7.625 6.512 -7.111 1.00 0.00 N ATOM 258 CA GLY A 16 -7.005 7.227 -8.210 1.00 0.00 C ATOM 259 C GLY A 16 -5.597 6.752 -8.506 1.00 0.00 C ATOM 260 O GLY A 16 -4.868 7.388 -9.263 1.00 0.00 O ATOM 0 H GLY A 16 -7.491 5.501 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.618 7.110 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.982 8.291 -7.977 1.00 0.00 H new ATOM 264 N PHE A 17 -5.206 5.640 -7.904 1.00 0.00 N ATOM 265 CA PHE A 17 -3.888 5.073 -8.145 1.00 0.00 C ATOM 266 C PHE A 17 -3.903 4.157 -9.353 1.00 0.00 C ATOM 267 O PHE A 17 -4.962 3.815 -9.879 1.00 0.00 O ATOM 268 CB PHE A 17 -3.394 4.309 -6.921 1.00 0.00 C ATOM 269 CG PHE A 17 -2.832 5.179 -5.832 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.647 6.046 -5.120 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.483 5.131 -5.525 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.125 6.847 -4.123 1.00 0.00 C ATOM 273 CE2 PHE A 17 -0.956 5.930 -4.528 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.777 6.789 -3.826 1.00 0.00 C ATOM 0 H PHE A 17 -5.781 5.113 -7.246 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.205 5.899 -8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.220 3.726 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.628 3.600 -7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.702 6.096 -5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.835 4.461 -6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.770 7.518 -3.576 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.098 5.882 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.367 7.414 -3.047 1.00 0.00 H new ATOM 284 N THR A 18 -2.717 3.775 -9.791 1.00 0.00 N ATOM 285 CA THR A 18 -2.561 2.944 -10.966 1.00 0.00 C ATOM 286 C THR A 18 -1.497 1.879 -10.713 1.00 0.00 C ATOM 287 O THR A 18 -0.576 2.093 -9.920 1.00 0.00 O ATOM 288 CB THR A 18 -2.158 3.809 -12.174 1.00 0.00 C ATOM 289 OG1 THR A 18 -2.663 5.143 -11.997 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.726 3.237 -13.456 1.00 0.00 C ATOM 0 H THR A 18 -1.838 4.033 -9.342 1.00 0.00 H new ATOM 0 HA THR A 18 -3.511 2.455 -11.181 1.00 0.00 H new ATOM 0 HB THR A 18 -1.070 3.822 -12.241 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.406 5.695 -12.765 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.429 3.864 -14.297 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.345 2.227 -13.604 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.814 3.208 -13.391 1.00 0.00 H new ATOM 298 N VAL A 19 -1.633 0.730 -11.358 1.00 0.00 N ATOM 299 CA VAL A 19 -0.672 -0.354 -11.182 1.00 0.00 C ATOM 300 C VAL A 19 0.644 -0.028 -11.892 1.00 0.00 C ATOM 301 O VAL A 19 0.658 0.631 -12.934 1.00 0.00 O ATOM 302 CB VAL A 19 -1.232 -1.706 -11.697 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.296 -1.743 -13.217 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.408 -2.874 -11.171 1.00 0.00 C ATOM 0 H VAL A 19 -2.394 0.523 -12.005 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.486 -0.452 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.249 -1.801 -11.317 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.693 -2.705 -13.541 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.946 -0.944 -13.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.295 -1.607 -13.627 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.822 -3.810 -11.547 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.624 -2.772 -11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.435 -2.877 -10.081 1.00 0.00 H new ATOM 314 N ASP A 20 1.747 -0.470 -11.310 1.00 0.00 N ATOM 315 CA ASP A 20 3.059 -0.267 -11.904 1.00 0.00 C ATOM 316 C ASP A 20 3.647 -1.599 -12.339 1.00 0.00 C ATOM 317 O ASP A 20 3.741 -1.892 -13.530 1.00 0.00 O ATOM 318 CB ASP A 20 4.011 0.413 -10.917 1.00 0.00 C ATOM 319 CG ASP A 20 5.356 0.719 -11.544 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.405 1.571 -12.455 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.364 0.102 -11.142 1.00 0.00 O ATOM 0 H ASP A 20 1.760 -0.974 -10.423 1.00 0.00 H new ATOM 0 HA ASP A 20 2.938 0.381 -12.772 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.560 1.338 -10.557 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.154 -0.231 -10.049 1.00 0.00 H new ATOM 326 N VAL A 21 4.024 -2.413 -11.369 1.00 0.00 N ATOM 327 CA VAL A 21 4.595 -3.713 -11.654 1.00 0.00 C ATOM 328 C VAL A 21 3.756 -4.823 -11.025 1.00 0.00 C ATOM 329 O VAL A 21 3.815 -5.077 -9.821 1.00 0.00 O ATOM 330 CB VAL A 21 6.074 -3.801 -11.194 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.234 -3.390 -9.736 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.633 -5.200 -11.425 1.00 0.00 C ATOM 0 H VAL A 21 3.944 -2.194 -10.376 1.00 0.00 H new ATOM 0 HA VAL A 21 4.584 -3.849 -12.735 1.00 0.00 H new ATOM 0 HB VAL A 21 6.646 -3.098 -11.799 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.283 -3.464 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.895 -2.362 -9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.638 -4.049 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.671 -5.236 -11.095 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.047 -5.924 -10.859 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.582 -5.442 -12.487 1.00 0.00 H new ATOM 342 N VAL A 22 2.943 -5.460 -11.847 1.00 0.00 N ATOM 343 CA VAL A 22 2.102 -6.548 -11.386 1.00 0.00 C ATOM 344 C VAL A 22 2.861 -7.873 -11.443 1.00 0.00 C ATOM 345 O VAL A 22 3.178 -8.383 -12.516 1.00 0.00 O ATOM 346 CB VAL A 22 0.786 -6.634 -12.203 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.060 -6.660 -13.702 1.00 0.00 C ATOM 348 CG2 VAL A 22 -0.033 -7.847 -11.785 1.00 0.00 C ATOM 0 H VAL A 22 2.847 -5.242 -12.839 1.00 0.00 H new ATOM 0 HA VAL A 22 1.834 -6.345 -10.349 1.00 0.00 H new ATOM 0 HB VAL A 22 0.206 -5.737 -11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.116 -6.721 -14.243 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.587 -5.751 -13.991 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.674 -7.528 -13.945 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.951 -7.886 -12.372 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.546 -8.754 -11.957 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.282 -7.771 -10.727 1.00 0.00 H new ATOM 358 N THR A 23 3.187 -8.405 -10.279 1.00 0.00 N ATOM 359 CA THR A 23 3.882 -9.675 -10.196 1.00 0.00 C ATOM 360 C THR A 23 3.015 -10.706 -9.487 1.00 0.00 C ATOM 361 O THR A 23 2.051 -10.351 -8.806 1.00 0.00 O ATOM 362 CB THR A 23 5.242 -9.543 -9.468 1.00 0.00 C ATOM 363 OG1 THR A 23 5.078 -8.925 -8.186 1.00 0.00 O ATOM 364 CG2 THR A 23 6.228 -8.739 -10.299 1.00 0.00 C ATOM 0 H THR A 23 2.981 -7.976 -9.377 1.00 0.00 H new ATOM 0 HA THR A 23 4.080 -10.004 -11.216 1.00 0.00 H new ATOM 0 HB THR A 23 5.637 -10.549 -9.328 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.138 -8.676 -8.061 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.175 -8.661 -9.765 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.390 -9.238 -11.255 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.827 -7.741 -10.474 1.00 0.00 H new ATOM 372 N ASN A 24 3.377 -11.974 -9.622 1.00 0.00 N ATOM 373 CA ASN A 24 2.601 -13.064 -9.038 1.00 0.00 C ATOM 374 C ASN A 24 2.860 -13.157 -7.531 1.00 0.00 C ATOM 375 O ASN A 24 2.355 -14.045 -6.847 1.00 0.00 O ATOM 376 CB ASN A 24 2.964 -14.386 -9.724 1.00 0.00 C ATOM 377 CG ASN A 24 1.988 -15.504 -9.407 1.00 0.00 C ATOM 378 OD1 ASN A 24 0.797 -15.272 -9.210 1.00 0.00 O ATOM 379 ND2 ASN A 24 2.488 -16.728 -9.362 1.00 0.00 N ATOM 0 H ASN A 24 4.207 -12.276 -10.133 1.00 0.00 H new ATOM 0 HA ASN A 24 1.541 -12.864 -9.192 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.995 -14.233 -10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.965 -14.686 -9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.879 -17.520 -9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.482 -16.879 -9.531 1.00 0.00 H new ATOM 386 N LYS A 25 3.668 -12.236 -7.019 1.00 0.00 N ATOM 387 CA LYS A 25 3.952 -12.181 -5.594 1.00 0.00 C ATOM 388 C LYS A 25 3.505 -10.850 -5.013 1.00 0.00 C ATOM 389 O LYS A 25 3.390 -10.699 -3.794 1.00 0.00 O ATOM 390 CB LYS A 25 5.450 -12.349 -5.330 1.00 0.00 C ATOM 391 CG LYS A 25 6.052 -13.629 -5.890 1.00 0.00 C ATOM 392 CD LYS A 25 7.509 -13.762 -5.478 1.00 0.00 C ATOM 393 CE LYS A 25 8.185 -14.956 -6.134 1.00 0.00 C ATOM 394 NZ LYS A 25 9.591 -15.112 -5.676 1.00 0.00 N ATOM 0 H LYS A 25 4.137 -11.518 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 25 3.405 -12.995 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.979 -11.497 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.621 -12.323 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.487 -14.490 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.975 -13.628 -6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.045 -12.851 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.571 -13.862 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.625 -15.863 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.166 -14.835 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.019 -15.936 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.132 -14.257 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.607 -15.253 -4.646 1.00 0.00 H new ATOM 408 N THR A 26 3.243 -9.882 -5.880 1.00 0.00 N ATOM 409 CA THR A 26 3.056 -8.516 -5.426 1.00 0.00 C ATOM 410 C THR A 26 2.467 -7.603 -6.509 1.00 0.00 C ATOM 411 O THR A 26 2.822 -7.704 -7.683 1.00 0.00 O ATOM 412 CB THR A 26 4.418 -7.959 -4.933 1.00 0.00 C ATOM 413 OG1 THR A 26 4.652 -8.362 -3.579 1.00 0.00 O ATOM 414 CG2 THR A 26 4.514 -6.449 -5.059 1.00 0.00 C ATOM 0 H THR A 26 3.156 -10.016 -6.887 1.00 0.00 H new ATOM 0 HA THR A 26 2.332 -8.531 -4.611 1.00 0.00 H new ATOM 0 HB THR A 26 5.189 -8.379 -5.579 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.051 -9.101 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.487 -6.115 -4.700 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.395 -6.163 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.728 -5.984 -4.464 1.00 0.00 H new ATOM 422 N TYR A 27 1.564 -6.716 -6.103 1.00 0.00 N ATOM 423 CA TYR A 27 1.019 -5.713 -7.004 1.00 0.00 C ATOM 424 C TYR A 27 1.697 -4.371 -6.763 1.00 0.00 C ATOM 425 O TYR A 27 1.359 -3.660 -5.816 1.00 0.00 O ATOM 426 CB TYR A 27 -0.491 -5.544 -6.811 1.00 0.00 C ATOM 427 CG TYR A 27 -1.318 -6.761 -7.147 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.572 -7.104 -8.468 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.862 -7.552 -6.145 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.346 -8.203 -8.781 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.633 -8.655 -6.450 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.873 -8.977 -7.769 1.00 0.00 C ATOM 433 OH TYR A 27 -3.646 -10.073 -8.078 1.00 0.00 O ATOM 0 H TYR A 27 1.195 -6.674 -5.153 1.00 0.00 H new ATOM 0 HA TYR A 27 1.206 -6.053 -8.023 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.681 -5.270 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.830 -4.712 -7.428 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.158 -6.502 -9.263 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.679 -7.301 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.538 -8.455 -9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.047 -9.263 -5.659 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.939 -10.510 -7.251 1.00 0.00 H new ATOM 443 N GLY A 28 2.675 -4.039 -7.588 1.00 0.00 N ATOM 444 CA GLY A 28 3.287 -2.731 -7.507 1.00 0.00 C ATOM 445 C GLY A 28 2.322 -1.658 -7.957 1.00 0.00 C ATOM 446 O GLY A 28 1.716 -1.779 -9.017 1.00 0.00 O ATOM 0 H GLY A 28 3.056 -4.650 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.603 -2.535 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.183 -2.705 -8.128 1.00 0.00 H new ATOM 450 N TYR A 29 2.172 -0.618 -7.159 1.00 0.00 N ATOM 451 CA TYR A 29 1.178 0.412 -7.418 1.00 0.00 C ATOM 452 C TYR A 29 1.789 1.801 -7.276 1.00 0.00 C ATOM 453 O TYR A 29 2.724 1.998 -6.509 1.00 0.00 O ATOM 454 CB TYR A 29 -0.006 0.232 -6.463 1.00 0.00 C ATOM 455 CG TYR A 29 -1.220 -0.407 -7.109 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.255 -1.773 -7.370 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.325 0.356 -7.467 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.358 -2.359 -7.964 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.430 -0.224 -8.062 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.441 -1.581 -8.311 1.00 0.00 C ATOM 461 OH TYR A 29 -4.540 -2.163 -8.905 1.00 0.00 O ATOM 0 H TYR A 29 2.729 -0.462 -6.319 1.00 0.00 H new ATOM 0 HA TYR A 29 0.821 0.314 -8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.310 -0.381 -5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.289 1.205 -6.062 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.407 -2.386 -7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.320 1.419 -7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.370 -3.422 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.282 0.383 -8.331 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.878 -1.576 -9.614 1.00 0.00 H new ATOM 471 N ARG A 30 1.275 2.760 -8.028 1.00 0.00 N ATOM 472 CA ARG A 30 1.817 4.110 -7.999 1.00 0.00 C ATOM 473 C ARG A 30 0.776 5.144 -8.393 1.00 0.00 C ATOM 474 O ARG A 30 -0.322 4.810 -8.843 1.00 0.00 O ATOM 475 CB ARG A 30 3.011 4.238 -8.950 1.00 0.00 C ATOM 476 CG ARG A 30 2.680 3.891 -10.393 1.00 0.00 C ATOM 477 CD ARG A 30 3.747 4.389 -11.354 1.00 0.00 C ATOM 478 NE ARG A 30 3.708 3.686 -12.635 1.00 0.00 N ATOM 479 CZ ARG A 30 3.200 4.189 -13.761 1.00 0.00 C ATOM 480 NH1 ARG A 30 2.674 5.407 -13.781 1.00 0.00 N ATOM 481 NH2 ARG A 30 3.235 3.473 -14.875 1.00 0.00 N ATOM 0 H ARG A 30 0.487 2.631 -8.663 1.00 0.00 H new ATOM 0 HA ARG A 30 2.134 4.297 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.390 5.259 -8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.813 3.586 -8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.578 2.810 -10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.718 4.328 -10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.611 5.457 -11.523 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.730 4.261 -10.901 1.00 0.00 H new ATOM 0 HE ARG A 30 4.097 2.744 -12.670 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.655 5.969 -12.930 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.288 5.782 -14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.649 2.541 -14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.848 3.854 -15.738 1.00 0.00 H new ATOM 495 N ARG A 31 1.139 6.399 -8.197 1.00 0.00 N ATOM 496 CA ARG A 31 0.383 7.526 -8.716 1.00 0.00 C ATOM 497 C ARG A 31 1.315 8.718 -8.831 1.00 0.00 C ATOM 498 O ARG A 31 1.929 9.128 -7.845 1.00 0.00 O ATOM 499 CB ARG A 31 -0.809 7.883 -7.824 1.00 0.00 C ATOM 500 CG ARG A 31 -1.804 8.807 -8.512 1.00 0.00 C ATOM 501 CD ARG A 31 -2.838 9.350 -7.542 1.00 0.00 C ATOM 502 NE ARG A 31 -2.242 10.280 -6.586 1.00 0.00 N ATOM 503 CZ ARG A 31 -2.895 10.841 -5.572 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.194 10.611 -5.397 1.00 0.00 N ATOM 505 NH2 ARG A 31 -2.248 11.658 -4.751 1.00 0.00 N ATOM 0 H ARG A 31 1.971 6.667 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.019 7.252 -9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.318 6.968 -7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.446 8.360 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.269 9.637 -8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.307 8.266 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.629 9.855 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.303 8.524 -7.005 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.257 10.516 -6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.695 10.001 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.688 11.045 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.258 11.852 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.741 12.093 -3.971 1.00 0.00 H new ATOM 519 N GLY A 32 1.444 9.252 -10.032 1.00 0.00 N ATOM 520 CA GLY A 32 2.361 10.348 -10.252 1.00 0.00 C ATOM 521 C GLY A 32 3.801 9.923 -10.058 1.00 0.00 C ATOM 522 O GLY A 32 4.338 9.155 -10.857 1.00 0.00 O ATOM 0 H GLY A 32 0.931 8.947 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.229 10.735 -11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.126 11.162 -9.566 1.00 0.00 H new ATOM 526 N GLU A 33 4.414 10.402 -8.987 1.00 0.00 N ATOM 527 CA GLU A 33 5.802 10.081 -8.690 1.00 0.00 C ATOM 528 C GLU A 33 5.928 9.373 -7.344 1.00 0.00 C ATOM 529 O GLU A 33 7.030 9.228 -6.808 1.00 0.00 O ATOM 530 CB GLU A 33 6.641 11.358 -8.705 1.00 0.00 C ATOM 531 CG GLU A 33 6.708 12.006 -10.076 1.00 0.00 C ATOM 532 CD GLU A 33 7.331 13.382 -10.047 1.00 0.00 C ATOM 533 OE1 GLU A 33 8.569 13.479 -9.924 1.00 0.00 O ATOM 534 OE2 GLU A 33 6.581 14.379 -10.148 1.00 0.00 O ATOM 0 H GLU A 33 3.970 11.018 -8.306 1.00 0.00 H new ATOM 0 HA GLU A 33 6.172 9.401 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.223 12.069 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.652 11.126 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.282 11.367 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.701 12.077 -10.488 1.00 0.00 H new ATOM 541 N ASN A 34 4.800 8.932 -6.800 1.00 0.00 N ATOM 542 CA ASN A 34 4.803 8.162 -5.559 1.00 0.00 C ATOM 543 C ASN A 34 4.511 6.697 -5.847 1.00 0.00 C ATOM 544 O ASN A 34 3.612 6.376 -6.627 1.00 0.00 O ATOM 545 CB ASN A 34 3.793 8.712 -4.546 1.00 0.00 C ATOM 546 CG ASN A 34 4.248 10.016 -3.920 1.00 0.00 C ATOM 547 OD1 ASN A 34 5.017 10.018 -2.959 1.00 0.00 O ATOM 548 ND2 ASN A 34 3.747 11.133 -4.425 1.00 0.00 N ATOM 0 H ASN A 34 3.874 9.093 -7.196 1.00 0.00 H new ATOM 0 HA ASN A 34 5.796 8.252 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.834 8.866 -5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.632 7.973 -3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.996 12.034 -4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.112 11.092 -5.222 1.00 0.00 H new ATOM 555 N TYR A 35 5.279 5.812 -5.220 1.00 0.00 N ATOM 556 CA TYR A 35 5.167 4.378 -5.468 1.00 0.00 C ATOM 557 C TYR A 35 4.926 3.608 -4.176 1.00 0.00 C ATOM 558 O TYR A 35 5.524 3.909 -3.141 1.00 0.00 O ATOM 559 CB TYR A 35 6.442 3.841 -6.125 1.00 0.00 C ATOM 560 CG TYR A 35 6.697 4.338 -7.531 1.00 0.00 C ATOM 561 CD1 TYR A 35 7.202 5.611 -7.765 1.00 0.00 C ATOM 562 CD2 TYR A 35 6.458 3.518 -8.626 1.00 0.00 C ATOM 563 CE1 TYR A 35 7.461 6.052 -9.049 1.00 0.00 C ATOM 564 CE2 TYR A 35 6.711 3.952 -9.910 1.00 0.00 C ATOM 565 CZ TYR A 35 7.212 5.219 -10.117 1.00 0.00 C ATOM 566 OH TYR A 35 7.475 5.647 -11.397 1.00 0.00 O ATOM 0 H TYR A 35 5.989 6.064 -4.533 1.00 0.00 H new ATOM 0 HA TYR A 35 4.317 4.235 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.295 4.109 -5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.391 2.752 -6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.395 6.267 -6.929 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.067 2.523 -8.469 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.856 7.044 -9.214 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.517 3.302 -10.750 1.00 0.00 H new ATOM 0 HH TYR A 35 7.244 4.938 -12.033 1.00 0.00 H new ATOM 576 N VAL A 36 4.056 2.611 -4.251 1.00 0.00 N ATOM 577 CA VAL A 36 3.802 1.703 -3.140 1.00 0.00 C ATOM 578 C VAL A 36 3.741 0.267 -3.664 1.00 0.00 C ATOM 579 O VAL A 36 3.704 0.043 -4.876 1.00 0.00 O ATOM 580 CB VAL A 36 2.485 2.043 -2.394 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.548 3.435 -1.787 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.282 1.919 -3.319 1.00 0.00 C ATOM 0 H VAL A 36 3.505 2.408 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 36 4.619 1.813 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 36 2.367 1.321 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.613 3.649 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.375 3.486 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.702 4.170 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.373 2.163 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.395 2.607 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.215 0.898 -3.694 1.00 0.00 H new ATOM 592 N TYR A 37 3.741 -0.706 -2.770 1.00 0.00 N ATOM 593 CA TYR A 37 3.704 -2.104 -3.176 1.00 0.00 C ATOM 594 C TYR A 37 2.667 -2.873 -2.375 1.00 0.00 C ATOM 595 O TYR A 37 2.661 -2.829 -1.147 1.00 0.00 O ATOM 596 CB TYR A 37 5.079 -2.757 -3.001 1.00 0.00 C ATOM 597 CG TYR A 37 6.157 -2.191 -3.904 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.235 -2.562 -5.242 1.00 0.00 C ATOM 599 CD2 TYR A 37 7.094 -1.285 -3.420 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.214 -2.046 -6.070 1.00 0.00 C ATOM 601 CE2 TYR A 37 8.075 -0.765 -4.243 1.00 0.00 C ATOM 602 CZ TYR A 37 8.131 -1.148 -5.566 1.00 0.00 C ATOM 603 OH TYR A 37 9.107 -0.628 -6.390 1.00 0.00 O ATOM 0 H TYR A 37 3.766 -0.557 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 37 3.429 -2.136 -4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.393 -2.643 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.987 -3.827 -3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.519 -3.265 -5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.055 -0.983 -2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.261 -2.345 -7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.795 -0.062 -3.851 1.00 0.00 H new ATOM 0 HH TYR A 37 9.122 0.348 -6.304 1.00 0.00 H new ATOM 613 N VAL A 38 1.784 -3.566 -3.071 1.00 0.00 N ATOM 614 CA VAL A 38 0.793 -4.398 -2.413 1.00 0.00 C ATOM 615 C VAL A 38 1.275 -5.842 -2.366 1.00 0.00 C ATOM 616 O VAL A 38 1.437 -6.487 -3.404 1.00 0.00 O ATOM 617 CB VAL A 38 -0.567 -4.345 -3.134 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.605 -5.159 -2.382 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.035 -2.909 -3.307 1.00 0.00 C ATOM 0 H VAL A 38 1.733 -3.569 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 38 0.661 -4.012 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.440 -4.781 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.558 -5.108 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.279 -6.197 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.724 -4.757 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.997 -2.899 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.139 -2.440 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.304 -2.357 -3.898 1.00 0.00 H new ATOM 629 N ASN A 39 1.506 -6.343 -1.164 1.00 0.00 N ATOM 630 CA ASN A 39 1.982 -7.706 -0.988 1.00 0.00 C ATOM 631 C ASN A 39 0.880 -8.689 -1.349 1.00 0.00 C ATOM 632 O ASN A 39 -0.075 -8.875 -0.599 1.00 0.00 O ATOM 633 CB ASN A 39 2.447 -7.938 0.450 1.00 0.00 C ATOM 634 CG ASN A 39 3.151 -9.273 0.640 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.051 -9.891 1.699 1.00 0.00 O ATOM 636 ND2 ASN A 39 3.908 -9.703 -0.360 1.00 0.00 N ATOM 0 H ASN A 39 1.372 -5.826 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 39 2.833 -7.864 -1.650 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.122 -7.133 0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.586 -7.890 1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.432 -10.573 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.967 -9.164 -1.224 1.00 0.00 H new ATOM 643 N ARG A 40 1.020 -9.312 -2.506 1.00 0.00 N ATOM 644 CA ARG A 40 0.011 -10.232 -3.007 1.00 0.00 C ATOM 645 C ARG A 40 0.134 -11.569 -2.287 1.00 0.00 C ATOM 646 O ARG A 40 -0.825 -12.332 -2.191 1.00 0.00 O ATOM 647 CB ARG A 40 0.165 -10.379 -4.530 1.00 0.00 C ATOM 648 CG ARG A 40 -0.794 -11.359 -5.188 1.00 0.00 C ATOM 649 CD ARG A 40 -0.155 -12.725 -5.357 1.00 0.00 C ATOM 650 NE ARG A 40 -1.049 -13.671 -6.029 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.012 -14.996 -5.862 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.175 -15.546 -4.993 1.00 0.00 N ATOM 653 NH2 ARG A 40 -1.833 -15.774 -6.551 1.00 0.00 N ATOM 0 H ARG A 40 1.827 -9.197 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.988 -9.843 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.029 -9.400 -4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.186 -10.694 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.697 -11.449 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.099 -10.975 -6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.766 -12.626 -5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.121 -13.119 -4.379 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.748 -13.292 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.450 -14.956 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.156 -16.559 -4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.494 -15.362 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.804 -16.786 -6.423 1.00 0.00 H new ATOM 667 N GLU A 41 1.317 -11.820 -1.741 1.00 0.00 N ATOM 668 CA GLU A 41 1.567 -13.025 -0.966 1.00 0.00 C ATOM 669 C GLU A 41 1.177 -12.830 0.494 1.00 0.00 C ATOM 670 O GLU A 41 1.470 -13.678 1.337 1.00 0.00 O ATOM 671 CB GLU A 41 3.036 -13.438 -1.071 1.00 0.00 C ATOM 672 CG GLU A 41 3.422 -13.960 -2.446 1.00 0.00 C ATOM 673 CD GLU A 41 2.697 -15.242 -2.806 1.00 0.00 C ATOM 674 OE1 GLU A 41 1.457 -15.217 -2.933 1.00 0.00 O ATOM 675 OE2 GLU A 41 3.366 -16.280 -2.980 1.00 0.00 O ATOM 0 H GLU A 41 2.122 -11.199 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 41 0.949 -13.822 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.664 -12.582 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.243 -14.208 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.201 -13.199 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.498 -14.134 -2.476 1.00 0.00 H new ATOM 682 N ALA A 42 0.514 -11.715 0.795 1.00 0.00 N ATOM 683 CA ALA A 42 0.018 -11.468 2.141 1.00 0.00 C ATOM 684 C ALA A 42 -1.176 -12.367 2.423 1.00 0.00 C ATOM 685 O ALA A 42 -2.313 -12.041 2.082 1.00 0.00 O ATOM 686 CB ALA A 42 -0.360 -10.007 2.326 1.00 0.00 C ATOM 0 H ALA A 42 0.310 -10.973 0.126 1.00 0.00 H new ATOM 0 HA ALA A 42 0.813 -11.698 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.727 -9.852 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.516 -9.380 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.140 -9.740 1.613 1.00 0.00 H new ATOM 692 N ARG A 43 -0.904 -13.516 3.018 1.00 0.00 N ATOM 693 CA ARG A 43 -1.938 -14.500 3.295 1.00 0.00 C ATOM 694 C ARG A 43 -2.600 -14.189 4.626 1.00 0.00 C ATOM 695 O ARG A 43 -3.680 -14.686 4.936 1.00 0.00 O ATOM 696 CB ARG A 43 -1.333 -15.906 3.318 1.00 0.00 C ATOM 697 CG ARG A 43 -0.518 -16.238 2.077 1.00 0.00 C ATOM 698 CD ARG A 43 -1.379 -16.230 0.823 1.00 0.00 C ATOM 699 NE ARG A 43 -0.578 -16.386 -0.392 1.00 0.00 N ATOM 700 CZ ARG A 43 -0.651 -17.438 -1.205 1.00 0.00 C ATOM 701 NH1 ARG A 43 -1.459 -18.450 -0.912 1.00 0.00 N ATOM 702 NH2 ARG A 43 0.090 -17.475 -2.306 1.00 0.00 N ATOM 0 H ARG A 43 0.030 -13.792 3.320 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.691 -14.459 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.697 -16.004 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.136 -16.636 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.291 -15.516 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.056 -17.218 2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.111 -17.035 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.937 -15.295 0.772 1.00 0.00 H new ATOM 0 HE ARG A 43 0.077 -15.642 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.024 -18.422 -0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.514 -19.255 -1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.713 -16.699 -2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.036 -18.280 -2.930 1.00 0.00 H new ATOM 716 N MET A 44 -1.931 -13.351 5.405 1.00 0.00 N ATOM 717 CA MET A 44 -2.437 -12.931 6.704 1.00 0.00 C ATOM 718 C MET A 44 -3.500 -11.855 6.539 1.00 0.00 C ATOM 719 O MET A 44 -4.361 -11.682 7.398 1.00 0.00 O ATOM 720 CB MET A 44 -1.306 -12.360 7.564 1.00 0.00 C ATOM 721 CG MET A 44 -0.054 -13.220 7.622 1.00 0.00 C ATOM 722 SD MET A 44 1.305 -12.372 8.452 1.00 0.00 S ATOM 723 CE MET A 44 2.641 -13.537 8.189 1.00 0.00 C ATOM 0 H MET A 44 -1.029 -12.945 5.157 1.00 0.00 H new ATOM 0 HA MET A 44 -2.866 -13.807 7.190 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.037 -11.376 7.179 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.677 -12.215 8.578 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.276 -14.150 8.146 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.249 -13.489 6.610 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.553 -13.154 8.646 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.383 -14.494 8.642 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.800 -13.673 7.119 1.00 0.00 H new ATOM 733 N GLY A 45 -3.422 -11.130 5.424 1.00 0.00 N ATOM 734 CA GLY A 45 -4.239 -9.946 5.246 1.00 0.00 C ATOM 735 C GLY A 45 -3.659 -8.760 5.995 1.00 0.00 C ATOM 736 O GLY A 45 -4.266 -7.696 6.069 1.00 0.00 O ATOM 0 H GLY A 45 -2.805 -11.345 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.313 -9.708 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.251 -10.143 5.600 1.00 0.00 H new ATOM 740 N ARG A 46 -2.466 -8.955 6.547 1.00 0.00 N ATOM 741 CA ARG A 46 -1.820 -7.934 7.357 1.00 0.00 C ATOM 742 C ARG A 46 -0.827 -7.128 6.529 1.00 0.00 C ATOM 743 O ARG A 46 -1.057 -5.956 6.249 1.00 0.00 O ATOM 744 CB ARG A 46 -1.106 -8.579 8.553 1.00 0.00 C ATOM 745 CG ARG A 46 -0.451 -7.574 9.486 1.00 0.00 C ATOM 746 CD ARG A 46 0.200 -8.251 10.684 1.00 0.00 C ATOM 747 NE ARG A 46 1.371 -9.052 10.310 1.00 0.00 N ATOM 748 CZ ARG A 46 2.183 -9.632 11.196 1.00 0.00 C ATOM 749 NH1 ARG A 46 1.934 -9.514 12.495 1.00 0.00 N ATOM 750 NH2 ARG A 46 3.238 -10.330 10.788 1.00 0.00 N ATOM 0 H ARG A 46 -1.927 -9.815 6.446 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.590 -7.255 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.825 -9.171 9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.346 -9.268 8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.300 -7.006 8.938 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.198 -6.861 9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.499 -7.493 11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.531 -8.891 11.177 1.00 0.00 H new ATOM 0 HE ARG A 46 1.576 -9.172 9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.124 -8.981 12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.553 -9.956 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.432 -10.425 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.854 -10.770 11.472 1.00 0.00 H new ATOM 764 N THR A 47 0.248 -7.783 6.102 1.00 0.00 N ATOM 765 CA THR A 47 1.367 -7.117 5.434 1.00 0.00 C ATOM 766 C THR A 47 1.042 -6.730 3.989 1.00 0.00 C ATOM 767 O THR A 47 1.938 -6.638 3.151 1.00 0.00 O ATOM 768 CB THR A 47 2.592 -8.047 5.434 1.00 0.00 C ATOM 769 OG1 THR A 47 2.215 -9.335 4.926 1.00 0.00 O ATOM 770 CG2 THR A 47 3.160 -8.198 6.835 1.00 0.00 C ATOM 0 H THR A 47 0.370 -8.790 6.208 1.00 0.00 H new ATOM 0 HA THR A 47 1.572 -6.201 5.988 1.00 0.00 H new ATOM 0 HB THR A 47 3.360 -7.607 4.797 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.996 -9.927 4.924 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.025 -8.860 6.807 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.463 -7.221 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.400 -8.621 7.492 1.00 0.00 H new ATOM 778 N ALA A 48 -0.224 -6.457 3.718 1.00 0.00 N ATOM 779 CA ALA A 48 -0.691 -6.226 2.360 1.00 0.00 C ATOM 780 C ALA A 48 -0.185 -4.902 1.795 1.00 0.00 C ATOM 781 O ALA A 48 0.060 -4.792 0.596 1.00 0.00 O ATOM 782 CB ALA A 48 -2.209 -6.271 2.319 1.00 0.00 C ATOM 0 H ALA A 48 -0.953 -6.389 4.428 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.286 -7.020 1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.551 -6.097 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.553 -7.249 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.614 -5.499 2.974 1.00 0.00 H new ATOM 788 N LEU A 49 -0.014 -3.902 2.646 1.00 0.00 N ATOM 789 CA LEU A 49 0.397 -2.590 2.171 1.00 0.00 C ATOM 790 C LEU A 49 1.845 -2.293 2.536 1.00 0.00 C ATOM 791 O LEU A 49 2.195 -2.176 3.716 1.00 0.00 O ATOM 792 CB LEU A 49 -0.505 -1.489 2.728 1.00 0.00 C ATOM 793 CG LEU A 49 -0.198 -0.083 2.199 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.463 0.000 0.704 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.011 0.958 2.948 1.00 0.00 C ATOM 0 H LEU A 49 -0.151 -3.971 3.654 1.00 0.00 H new ATOM 0 HA LEU A 49 0.306 -2.606 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.541 -1.733 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.418 -1.481 3.814 1.00 0.00 H new ATOM 0 HG LEU A 49 0.859 0.122 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.239 1.006 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.170 -0.718 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.510 -0.229 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.780 1.949 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.074 0.755 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.764 0.918 4.009 1.00 0.00 H new ATOM 807 N ILE A 50 2.677 -2.181 1.513 1.00 0.00 N ATOM 808 CA ILE A 50 4.059 -1.764 1.678 1.00 0.00 C ATOM 809 C ILE A 50 4.237 -0.384 1.052 1.00 0.00 C ATOM 810 O ILE A 50 3.797 -0.153 -0.073 1.00 0.00 O ATOM 811 CB ILE A 50 5.046 -2.740 0.998 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.681 -4.204 1.288 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.465 -2.442 1.457 1.00 0.00 C ATOM 814 CD1 ILE A 50 4.777 -4.598 2.747 1.00 0.00 C ATOM 0 H ILE A 50 2.414 -2.376 0.547 1.00 0.00 H new ATOM 0 HA ILE A 50 4.276 -1.749 2.746 1.00 0.00 H new ATOM 0 HB ILE A 50 4.980 -2.595 -0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.664 -4.387 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.337 -4.851 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.156 -3.133 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.727 -1.419 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.530 -2.560 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.502 -5.647 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.799 -4.451 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.099 -3.980 3.336 1.00 0.00 H new ATOM 826 N ILE A 51 4.861 0.536 1.770 1.00 0.00 N ATOM 827 CA ILE A 51 5.071 1.875 1.236 1.00 0.00 C ATOM 828 C ILE A 51 6.556 2.177 1.099 1.00 0.00 C ATOM 829 O ILE A 51 7.403 1.448 1.626 1.00 0.00 O ATOM 830 CB ILE A 51 4.427 2.971 2.116 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.165 3.093 3.450 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.950 2.673 2.349 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.765 4.307 4.262 1.00 0.00 C ATOM 0 H ILE A 51 5.227 0.386 2.710 1.00 0.00 H new ATOM 0 HA ILE A 51 4.591 1.889 0.258 1.00 0.00 H new ATOM 0 HB ILE A 51 4.507 3.922 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.980 2.196 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.237 3.133 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.515 3.456 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.430 2.639 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.848 1.711 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.331 4.324 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.977 5.212 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.699 4.260 4.486 1.00 0.00 H new ATOM 845 N HIS A 52 6.855 3.256 0.390 1.00 0.00 N ATOM 846 CA HIS A 52 8.216 3.749 0.261 1.00 0.00 C ATOM 847 C HIS A 52 8.715 4.255 1.616 1.00 0.00 C ATOM 848 O HIS A 52 7.939 4.817 2.390 1.00 0.00 O ATOM 849 CB HIS A 52 8.253 4.883 -0.779 1.00 0.00 C ATOM 850 CG HIS A 52 9.622 5.451 -1.038 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.283 6.252 -0.135 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.462 5.314 -2.093 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.465 6.579 -0.612 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.603 6.025 -1.802 1.00 0.00 N ATOM 0 H HIS A 52 6.162 3.812 -0.110 1.00 0.00 H new ATOM 0 HA HIS A 52 8.867 2.940 -0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.845 4.510 -1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.598 5.687 -0.444 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.912 6.548 0.768 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.271 4.751 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.198 7.196 -0.114 1.00 0.00 H new ATOM 863 N PRO A 53 10.007 4.037 1.932 1.00 0.00 N ATOM 864 CA PRO A 53 10.657 4.620 3.123 1.00 0.00 C ATOM 865 C PRO A 53 10.566 6.153 3.164 1.00 0.00 C ATOM 866 O PRO A 53 9.763 6.756 2.446 1.00 0.00 O ATOM 867 CB PRO A 53 12.113 4.178 2.983 1.00 0.00 C ATOM 868 CG PRO A 53 12.057 2.946 2.148 1.00 0.00 C ATOM 869 CD PRO A 53 10.926 3.159 1.184 1.00 0.00 C ATOM 0 HA PRO A 53 10.178 4.288 4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.717 4.951 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.561 3.977 3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.997 2.788 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.885 2.063 2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.267 3.626 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.449 2.218 0.908 1.00 0.00 H new ATOM 877 N ARG A 54 11.403 6.779 3.999 1.00 0.00 N ATOM 878 CA ARG A 54 11.367 8.231 4.240 1.00 0.00 C ATOM 879 C ARG A 54 10.165 8.602 5.107 1.00 0.00 C ATOM 880 O ARG A 54 10.301 9.269 6.129 1.00 0.00 O ATOM 881 CB ARG A 54 11.317 9.040 2.933 1.00 0.00 C ATOM 882 CG ARG A 54 11.232 10.545 3.161 1.00 0.00 C ATOM 883 CD ARG A 54 10.662 11.271 1.951 1.00 0.00 C ATOM 884 NE ARG A 54 10.624 12.725 2.149 1.00 0.00 N ATOM 885 CZ ARG A 54 9.503 13.442 2.269 1.00 0.00 C ATOM 886 NH1 ARG A 54 8.317 12.846 2.237 1.00 0.00 N ATOM 887 NH2 ARG A 54 9.565 14.760 2.415 1.00 0.00 N ATOM 0 H ARG A 54 12.127 6.294 4.529 1.00 0.00 H new ATOM 0 HA ARG A 54 12.292 8.484 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.206 8.818 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.456 8.719 2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.608 10.746 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.225 10.935 3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.265 11.040 1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.655 10.906 1.751 1.00 0.00 H new ATOM 0 HE ARG A 54 11.514 13.222 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.258 11.834 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.465 13.400 2.329 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.471 15.229 2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.707 15.304 2.506 1.00 0.00 H new ATOM 901 N LEU A 55 8.996 8.132 4.696 1.00 0.00 N ATOM 902 CA LEU A 55 7.735 8.457 5.351 1.00 0.00 C ATOM 903 C LEU A 55 7.476 7.585 6.573 1.00 0.00 C ATOM 904 O LEU A 55 6.334 7.453 7.004 1.00 0.00 O ATOM 905 CB LEU A 55 6.592 8.277 4.354 1.00 0.00 C ATOM 906 CG LEU A 55 6.474 9.373 3.303 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.490 8.965 2.218 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.037 10.669 3.962 1.00 0.00 C ATOM 0 H LEU A 55 8.894 7.510 3.894 1.00 0.00 H new ATOM 0 HA LEU A 55 7.795 9.491 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.720 7.321 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.654 8.222 4.906 1.00 0.00 H new ATOM 0 HG LEU A 55 7.447 9.525 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.418 9.759 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.837 8.050 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.510 8.793 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.954 11.451 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.070 10.524 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.774 10.963 4.710 1.00 0.00 H new ATOM 920 N LYS A 56 8.529 7.015 7.140 1.00 0.00 N ATOM 921 CA LYS A 56 8.385 6.103 8.266 1.00 0.00 C ATOM 922 C LYS A 56 7.722 6.814 9.445 1.00 0.00 C ATOM 923 O LYS A 56 6.764 6.309 10.024 1.00 0.00 O ATOM 924 CB LYS A 56 9.748 5.541 8.675 1.00 0.00 C ATOM 925 CG LYS A 56 9.665 4.306 9.565 1.00 0.00 C ATOM 926 CD LYS A 56 11.043 3.708 9.810 1.00 0.00 C ATOM 927 CE LYS A 56 10.972 2.339 10.479 1.00 0.00 C ATOM 928 NZ LYS A 56 10.489 2.403 11.888 1.00 0.00 N ATOM 0 H LYS A 56 9.492 7.167 6.840 1.00 0.00 H new ATOM 0 HA LYS A 56 7.748 5.273 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.312 5.292 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.308 6.317 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.207 4.572 10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.021 3.561 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.571 3.619 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.624 4.385 10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.310 1.693 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.960 1.880 10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.590 1.468 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.052 3.100 12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.488 2.686 11.899 1.00 0.00 H new ATOM 942 N ASP A 57 8.208 8.010 9.756 1.00 0.00 N ATOM 943 CA ASP A 57 7.699 8.781 10.886 1.00 0.00 C ATOM 944 C ASP A 57 6.304 9.332 10.593 1.00 0.00 C ATOM 945 O ASP A 57 5.426 9.323 11.459 1.00 0.00 O ATOM 946 CB ASP A 57 8.653 9.933 11.219 1.00 0.00 C ATOM 947 CG ASP A 57 8.703 10.986 10.127 1.00 0.00 C ATOM 948 OD1 ASP A 57 9.327 10.730 9.073 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.102 12.063 10.306 1.00 0.00 O ATOM 0 H ASP A 57 8.958 8.469 9.239 1.00 0.00 H new ATOM 0 HA ASP A 57 7.632 8.112 11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.341 10.399 12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.655 9.535 11.380 1.00 0.00 H new ATOM 954 N ARG A 58 6.106 9.798 9.367 1.00 0.00 N ATOM 955 CA ARG A 58 4.839 10.391 8.965 1.00 0.00 C ATOM 956 C ARG A 58 3.743 9.333 8.928 1.00 0.00 C ATOM 957 O ARG A 58 2.649 9.532 9.453 1.00 0.00 O ATOM 958 CB ARG A 58 4.985 11.051 7.591 1.00 0.00 C ATOM 959 CG ARG A 58 3.766 11.851 7.162 1.00 0.00 C ATOM 960 CD ARG A 58 3.427 12.921 8.185 1.00 0.00 C ATOM 961 NE ARG A 58 2.343 13.797 7.743 1.00 0.00 N ATOM 962 CZ ARG A 58 1.517 14.423 8.576 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.596 14.198 9.885 1.00 0.00 N ATOM 964 NH2 ARG A 58 0.611 15.266 8.092 1.00 0.00 N ATOM 0 H ARG A 58 6.811 9.776 8.631 1.00 0.00 H new ATOM 0 HA ARG A 58 4.560 11.150 9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.854 11.709 7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.182 10.279 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.954 12.315 6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.915 11.182 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.145 12.445 9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.315 13.521 8.386 1.00 0.00 H new ATOM 0 HE ARG A 58 2.213 13.935 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.290 13.545 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.962 14.678 10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.552 15.430 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.026 15.749 8.726 1.00 0.00 H new ATOM 978 N SER A 59 4.044 8.215 8.295 1.00 0.00 N ATOM 979 CA SER A 59 3.121 7.101 8.220 1.00 0.00 C ATOM 980 C SER A 59 2.779 6.563 9.616 1.00 0.00 C ATOM 981 O SER A 59 1.635 6.186 9.874 1.00 0.00 O ATOM 982 CB SER A 59 3.716 6.009 7.326 1.00 0.00 C ATOM 983 OG SER A 59 3.033 4.777 7.469 1.00 0.00 O ATOM 0 H SER A 59 4.932 8.055 7.820 1.00 0.00 H new ATOM 0 HA SER A 59 2.185 7.444 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.673 6.329 6.285 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.769 5.871 7.574 1.00 0.00 H new ATOM 0 HG SER A 59 3.556 4.062 7.050 1.00 0.00 H new ATOM 989 N SER A 60 3.767 6.551 10.515 1.00 0.00 N ATOM 990 CA SER A 60 3.563 6.053 11.879 1.00 0.00 C ATOM 991 C SER A 60 2.498 6.855 12.629 1.00 0.00 C ATOM 992 O SER A 60 1.848 6.334 13.537 1.00 0.00 O ATOM 993 CB SER A 60 4.875 6.068 12.666 1.00 0.00 C ATOM 994 OG SER A 60 5.811 5.150 12.122 1.00 0.00 O ATOM 0 H SER A 60 4.714 6.879 10.324 1.00 0.00 H new ATOM 0 HA SER A 60 3.210 5.026 11.791 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.298 7.073 12.654 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.680 5.817 13.709 1.00 0.00 H new ATOM 0 HG SER A 60 6.410 5.620 11.505 1.00 0.00 H new ATOM 1000 N SER A 61 2.311 8.117 12.256 1.00 0.00 N ATOM 1001 CA SER A 61 1.312 8.951 12.911 1.00 0.00 C ATOM 1002 C SER A 61 -0.047 8.832 12.220 1.00 0.00 C ATOM 1003 O SER A 61 -0.995 9.543 12.559 1.00 0.00 O ATOM 1004 CB SER A 61 1.773 10.413 12.955 1.00 0.00 C ATOM 1005 OG SER A 61 2.185 10.875 11.678 1.00 0.00 O ATOM 0 H SER A 61 2.832 8.580 11.512 1.00 0.00 H new ATOM 0 HA SER A 61 1.197 8.595 13.935 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.960 11.039 13.323 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.597 10.513 13.661 1.00 0.00 H new ATOM 0 HG SER A 61 1.981 10.195 11.003 1.00 0.00 H new ATOM 1011 N LEU A 62 -0.135 7.922 11.261 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.375 7.683 10.534 1.00 0.00 C ATOM 1013 C LEU A 62 -1.839 6.249 10.745 1.00 0.00 C ATOM 1014 O LEU A 62 -3.012 5.989 11.021 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.170 7.945 9.041 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.808 9.385 8.679 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.505 9.501 7.195 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -1.939 10.321 9.066 1.00 0.00 C ATOM 0 H LEU A 62 0.643 7.333 10.966 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.137 8.363 10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.381 7.286 8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.083 7.672 8.511 1.00 0.00 H new ATOM 0 HG LEU A 62 0.086 9.670 9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.249 10.533 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.333 8.852 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.381 9.202 6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.670 11.344 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.846 10.036 8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.114 10.256 10.140 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.902 5.327 10.611 1.00 0.00 N ATOM 1031 CA ALA A 63 -1.169 3.915 10.790 1.00 0.00 C ATOM 1032 C ALA A 63 0.024 3.257 11.466 1.00 0.00 C ATOM 1033 O ALA A 63 1.029 3.920 11.727 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.455 3.264 9.448 1.00 0.00 C ATOM 0 H ALA A 63 0.067 5.539 10.374 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.047 3.787 11.423 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.654 2.202 9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.325 3.737 8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.592 3.384 8.794 1.00 0.00 H new ATOM 1040 N ASP A 64 -0.069 1.971 11.749 1.00 0.00 N ATOM 1041 CA ASP A 64 1.025 1.276 12.406 1.00 0.00 C ATOM 1042 C ASP A 64 1.658 0.259 11.461 1.00 0.00 C ATOM 1043 O ASP A 64 0.963 -0.415 10.696 1.00 0.00 O ATOM 1044 CB ASP A 64 0.557 0.602 13.706 1.00 0.00 C ATOM 1045 CG ASP A 64 -0.271 -0.646 13.479 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -1.433 -0.526 13.044 1.00 0.00 O ATOM 1047 OD2 ASP A 64 0.232 -1.753 13.762 1.00 0.00 O ATOM 0 H ASP A 64 -0.881 1.391 11.538 1.00 0.00 H new ATOM 0 HA ASP A 64 1.782 2.014 12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.430 0.345 14.306 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.029 1.316 14.285 1.00 0.00 H new ATOM 1052 N PRO A 65 2.995 0.182 11.454 1.00 0.00 N ATOM 1053 CA PRO A 65 3.726 -0.783 10.640 1.00 0.00 C ATOM 1054 C PRO A 65 3.644 -2.193 11.214 1.00 0.00 C ATOM 1055 O PRO A 65 3.727 -2.385 12.427 1.00 0.00 O ATOM 1056 CB PRO A 65 5.178 -0.279 10.674 1.00 0.00 C ATOM 1057 CG PRO A 65 5.134 1.052 11.352 1.00 0.00 C ATOM 1058 CD PRO A 65 3.909 1.041 12.216 1.00 0.00 C ATOM 0 HA PRO A 65 3.316 -0.851 9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.820 -0.973 11.217 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.585 -0.191 9.666 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.031 1.214 11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.088 1.860 10.621 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.115 0.637 13.207 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.502 2.042 12.358 1.00 0.00 H new ATOM 1066 N ALA A 66 3.499 -3.177 10.335 1.00 0.00 N ATOM 1067 CA ALA A 66 3.417 -4.575 10.749 1.00 0.00 C ATOM 1068 C ALA A 66 4.810 -5.137 11.001 1.00 0.00 C ATOM 1069 O ALA A 66 4.980 -6.316 11.311 1.00 0.00 O ATOM 1070 CB ALA A 66 2.702 -5.397 9.687 1.00 0.00 C ATOM 0 H ALA A 66 3.435 -3.033 9.327 1.00 0.00 H new ATOM 0 HA ALA A 66 2.848 -4.630 11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.647 -6.437 10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.694 -5.008 9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.252 -5.335 8.748 1.00 0.00 H new ATOM 1076 N SER A 67 5.796 -4.269 10.865 1.00 0.00 N ATOM 1077 CA SER A 67 7.191 -4.631 10.986 1.00 0.00 C ATOM 1078 C SER A 67 8.016 -3.359 11.077 1.00 0.00 C ATOM 1079 O SER A 67 7.765 -2.494 11.920 1.00 0.00 O ATOM 1080 CB SER A 67 7.605 -5.485 9.777 1.00 0.00 C ATOM 1081 OG SER A 67 8.928 -5.978 9.907 1.00 0.00 O ATOM 0 H SER A 67 5.645 -3.280 10.665 1.00 0.00 H new ATOM 0 HA SER A 67 7.360 -5.222 11.886 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.915 -6.322 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.527 -4.889 8.868 1.00 0.00 H new ATOM 0 HG SER A 67 9.155 -6.517 9.121 1.00 0.00 H new ATOM 1087 N ASP A 68 8.945 -3.245 10.164 1.00 0.00 N ATOM 1088 CA ASP A 68 9.813 -2.089 10.049 1.00 0.00 C ATOM 1089 C ASP A 68 10.333 -1.996 8.631 1.00 0.00 C ATOM 1090 O ASP A 68 10.030 -1.050 7.907 1.00 0.00 O ATOM 1091 CB ASP A 68 10.995 -2.221 11.005 1.00 0.00 C ATOM 1092 CG ASP A 68 10.850 -1.370 12.247 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.264 -0.194 12.224 1.00 0.00 O ATOM 1094 OD2 ASP A 68 10.337 -1.877 13.261 1.00 0.00 O ATOM 0 H ASP A 68 9.128 -3.964 9.463 1.00 0.00 H new ATOM 0 HA ASP A 68 9.246 -1.193 10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.103 -3.265 11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.910 -1.940 10.484 1.00 0.00 H new ATOM 1099 N ILE A 69 11.102 -2.991 8.232 1.00 0.00 N ATOM 1100 CA ILE A 69 11.552 -3.111 6.855 1.00 0.00 C ATOM 1101 C ILE A 69 11.356 -4.542 6.374 1.00 0.00 C ATOM 1102 O ILE A 69 11.688 -5.496 7.081 1.00 0.00 O ATOM 1103 CB ILE A 69 13.042 -2.721 6.681 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.932 -3.580 7.580 1.00 0.00 C ATOM 1105 CG2 ILE A 69 13.256 -1.244 6.975 1.00 0.00 C ATOM 1106 CD1 ILE A 69 15.410 -3.274 7.455 1.00 0.00 C ATOM 0 H ILE A 69 11.432 -3.735 8.847 1.00 0.00 H new ATOM 0 HA ILE A 69 10.954 -2.419 6.262 1.00 0.00 H new ATOM 0 HB ILE A 69 13.319 -2.904 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.628 -3.438 8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.767 -4.630 7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.310 -0.996 6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.656 -0.646 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.956 -1.030 8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.974 -3.924 8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.731 -3.444 6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.590 -2.233 7.724 1.00 0.00 H new ATOM 1118 N LYS A 70 10.789 -4.693 5.194 1.00 0.00 N ATOM 1119 CA LYS A 70 10.670 -6.003 4.577 1.00 0.00 C ATOM 1120 C LYS A 70 11.482 -6.035 3.296 1.00 0.00 C ATOM 1121 O LYS A 70 11.131 -5.380 2.312 1.00 0.00 O ATOM 1122 CB LYS A 70 9.213 -6.376 4.273 1.00 0.00 C ATOM 1123 CG LYS A 70 9.089 -7.755 3.638 1.00 0.00 C ATOM 1124 CD LYS A 70 7.654 -8.120 3.290 1.00 0.00 C ATOM 1125 CE LYS A 70 7.596 -9.476 2.596 1.00 0.00 C ATOM 1126 NZ LYS A 70 6.211 -9.869 2.218 1.00 0.00 N ATOM 0 H LYS A 70 10.403 -3.927 4.642 1.00 0.00 H new ATOM 0 HA LYS A 70 11.052 -6.736 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.634 -6.350 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.781 -5.631 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.697 -7.789 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.493 -8.502 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.049 -8.144 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.226 -7.355 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.218 -9.449 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.018 -10.235 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.229 -10.798 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.620 -9.923 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.815 -9.161 1.567 1.00 0.00 H new ATOM 1140 N THR A 71 12.574 -6.776 3.321 1.00 0.00 N ATOM 1141 CA THR A 71 13.418 -6.911 2.155 1.00 0.00 C ATOM 1142 C THR A 71 12.869 -7.966 1.202 1.00 0.00 C ATOM 1143 O THR A 71 12.394 -9.023 1.627 1.00 0.00 O ATOM 1144 CB THR A 71 14.864 -7.258 2.550 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.876 -8.208 3.623 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.635 -6.014 2.963 1.00 0.00 C ATOM 0 H THR A 71 12.895 -7.293 4.139 1.00 0.00 H new ATOM 0 HA THR A 71 13.423 -5.948 1.644 1.00 0.00 H new ATOM 0 HB THR A 71 15.349 -7.693 1.677 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.798 -8.488 3.802 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.653 -6.291 3.237 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.662 -5.310 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.144 -5.548 3.817 1.00 0.00 H new ATOM 1154 N CYS A 72 12.920 -7.655 -0.082 1.00 0.00 N ATOM 1155 CA CYS A 72 12.462 -8.550 -1.124 1.00 0.00 C ATOM 1156 C CYS A 72 13.002 -8.080 -2.470 1.00 0.00 C ATOM 1157 O CYS A 72 13.460 -6.943 -2.608 1.00 0.00 O ATOM 1158 CB CYS A 72 10.931 -8.597 -1.153 1.00 0.00 C ATOM 1159 SG CYS A 72 10.244 -9.867 -2.244 1.00 0.00 S ATOM 0 H CYS A 72 13.283 -6.768 -0.430 1.00 0.00 H new ATOM 0 HA CYS A 72 12.831 -9.555 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.565 -8.768 -0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.555 -7.623 -1.467 1.00 0.00 H new ATOM 0 HG CYS A 72 8.946 -9.825 -2.195 1.00 0.00 H new ATOM 1165 N ASP A 73 12.954 -8.951 -3.459 1.00 0.00 N ATOM 1166 CA ASP A 73 13.461 -8.628 -4.784 1.00 0.00 C ATOM 1167 C ASP A 73 12.424 -7.843 -5.592 1.00 0.00 C ATOM 1168 O ASP A 73 12.726 -7.304 -6.654 1.00 0.00 O ATOM 1169 CB ASP A 73 13.857 -9.921 -5.509 1.00 0.00 C ATOM 1170 CG ASP A 73 14.516 -9.682 -6.855 1.00 0.00 C ATOM 1171 OD1 ASP A 73 15.528 -8.949 -6.912 1.00 0.00 O ATOM 1172 OD2 ASP A 73 14.040 -10.254 -7.856 1.00 0.00 O ATOM 0 H ASP A 73 12.568 -9.891 -3.372 1.00 0.00 H new ATOM 0 HA ASP A 73 14.342 -7.994 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 73 14.538 -10.489 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.968 -10.535 -5.652 1.00 0.00 H new ATOM 1177 N HIS A 74 11.199 -7.758 -5.075 1.00 0.00 N ATOM 1178 CA HIS A 74 10.113 -7.081 -5.792 1.00 0.00 C ATOM 1179 C HIS A 74 9.697 -5.773 -5.116 1.00 0.00 C ATOM 1180 O HIS A 74 8.700 -5.166 -5.499 1.00 0.00 O ATOM 1181 CB HIS A 74 8.898 -8.006 -5.926 1.00 0.00 C ATOM 1182 CG HIS A 74 9.095 -9.127 -6.904 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.077 -9.967 -7.302 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.204 -9.549 -7.557 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.554 -10.859 -8.151 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.840 -10.626 -8.324 1.00 0.00 N ATOM 0 H HIS A 74 10.932 -8.145 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 74 10.494 -6.834 -6.783 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.664 -8.426 -4.948 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.035 -7.415 -6.234 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.192 -9.117 -7.487 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.986 -11.647 -8.624 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.463 -11.160 -8.930 1.00 0.00 H new ATOM 1195 N TYR A 75 10.459 -5.339 -4.121 1.00 0.00 N ATOM 1196 CA TYR A 75 10.183 -4.070 -3.445 1.00 0.00 C ATOM 1197 C TYR A 75 11.318 -3.085 -3.690 1.00 0.00 C ATOM 1198 O TYR A 75 11.895 -2.551 -2.743 1.00 0.00 O ATOM 1199 CB TYR A 75 10.030 -4.274 -1.931 1.00 0.00 C ATOM 1200 CG TYR A 75 8.821 -5.078 -1.510 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.690 -5.162 -2.310 1.00 0.00 C ATOM 1202 CD2 TYR A 75 8.809 -5.738 -0.288 1.00 0.00 C ATOM 1203 CE1 TYR A 75 6.583 -5.884 -1.908 1.00 0.00 C ATOM 1204 CE2 TYR A 75 7.710 -6.462 0.119 1.00 0.00 C ATOM 1205 CZ TYR A 75 6.599 -6.532 -0.691 1.00 0.00 C ATOM 1206 OH TYR A 75 5.499 -7.241 -0.278 1.00 0.00 O ATOM 0 H TYR A 75 11.271 -5.842 -3.762 1.00 0.00 H new ATOM 0 HA TYR A 75 9.251 -3.676 -3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.925 -4.769 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.981 -3.296 -1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.675 -4.654 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.676 -5.683 0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.711 -5.941 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.720 -6.973 1.070 1.00 0.00 H new ATOM 0 HH TYR A 75 4.899 -7.387 -1.039 1.00 0.00 H new ATOM 1216 N GLN A 76 11.645 -2.846 -4.955 1.00 0.00 N ATOM 1217 CA GLN A 76 12.827 -2.081 -5.294 1.00 0.00 C ATOM 1218 C GLN A 76 12.769 -0.635 -4.799 1.00 0.00 C ATOM 1219 O GLN A 76 13.647 -0.217 -4.040 1.00 0.00 O ATOM 1220 CB GLN A 76 13.117 -2.133 -6.803 1.00 0.00 C ATOM 1221 CG GLN A 76 11.982 -1.680 -7.715 1.00 0.00 C ATOM 1222 CD GLN A 76 11.043 -2.806 -8.119 1.00 0.00 C ATOM 1223 OE1 GLN A 76 10.843 -3.768 -7.380 1.00 0.00 O ATOM 1224 NE2 GLN A 76 10.461 -2.689 -9.303 1.00 0.00 N ATOM 0 H GLN A 76 11.106 -3.172 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 76 13.654 -2.557 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.990 -1.514 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.383 -3.156 -7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.409 -0.903 -7.210 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.405 -1.231 -8.613 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.653 -1.875 -9.887 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.821 -3.413 -9.630 1.00 0.00 H new ATOM 1233 N ASN A 77 11.726 0.102 -5.183 1.00 0.00 N ATOM 1234 CA ASN A 77 11.684 1.552 -4.982 1.00 0.00 C ATOM 1235 C ASN A 77 12.983 2.201 -5.449 1.00 0.00 C ATOM 1236 O ASN A 77 13.184 2.407 -6.646 1.00 0.00 O ATOM 1237 CB ASN A 77 11.407 1.928 -3.521 1.00 0.00 C ATOM 1238 CG ASN A 77 9.928 1.983 -3.184 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.534 1.751 -2.044 1.00 0.00 O ATOM 1240 ND2 ASN A 77 9.099 2.314 -4.165 1.00 0.00 N ATOM 0 H ASN A 77 10.897 -0.282 -5.636 1.00 0.00 H new ATOM 0 HA ASN A 77 10.857 1.930 -5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.894 1.204 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.856 2.899 -3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.097 2.383 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.463 2.500 -5.100 1.00 0.00 H new ATOM 1247 N PHE A 78 13.867 2.491 -4.501 1.00 0.00 N ATOM 1248 CA PHE A 78 15.181 3.058 -4.790 1.00 0.00 C ATOM 1249 C PHE A 78 16.196 2.645 -3.718 1.00 0.00 C ATOM 1250 O PHE A 78 17.248 2.108 -4.057 1.00 0.00 O ATOM 1251 CB PHE A 78 15.138 4.592 -4.911 1.00 0.00 C ATOM 1252 CG PHE A 78 14.433 5.103 -6.135 1.00 0.00 C ATOM 1253 CD1 PHE A 78 15.050 5.058 -7.375 1.00 0.00 C ATOM 1254 CD2 PHE A 78 13.155 5.632 -6.045 1.00 0.00 C ATOM 1255 CE1 PHE A 78 14.406 5.529 -8.501 1.00 0.00 C ATOM 1256 CE2 PHE A 78 12.506 6.103 -7.168 1.00 0.00 C ATOM 1257 CZ PHE A 78 13.132 6.053 -8.398 1.00 0.00 C ATOM 0 H PHE A 78 13.693 2.339 -3.507 1.00 0.00 H new ATOM 0 HA PHE A 78 15.494 2.659 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.646 4.999 -4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 78 16.160 4.972 -4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 78 16.046 4.650 -7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.662 5.676 -5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.898 5.488 -9.462 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.509 6.510 -7.085 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.626 6.423 -9.278 1.00 0.00 H new ATOM 1267 N PRO A 79 15.897 2.911 -2.416 1.00 0.00 N ATOM 1268 CA PRO A 79 16.737 2.551 -1.269 1.00 0.00 C ATOM 1269 C PRO A 79 17.644 1.328 -1.474 1.00 0.00 C ATOM 1270 O PRO A 79 18.849 1.488 -1.664 1.00 0.00 O ATOM 1271 CB PRO A 79 15.695 2.286 -0.174 1.00 0.00 C ATOM 1272 CG PRO A 79 14.461 3.041 -0.583 1.00 0.00 C ATOM 1273 CD PRO A 79 14.720 3.643 -1.935 1.00 0.00 C ATOM 0 HA PRO A 79 17.457 3.339 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 79 15.488 1.220 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.055 2.625 0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 79 13.600 2.374 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.230 3.819 0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.867 3.514 -2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.913 4.714 -1.867 1.00 0.00 H new ATOM 1281 N LEU A 80 17.056 0.127 -1.444 1.00 0.00 N ATOM 1282 CA LEU A 80 17.808 -1.137 -1.559 1.00 0.00 C ATOM 1283 C LEU A 80 18.710 -1.350 -0.334 1.00 0.00 C ATOM 1284 O LEU A 80 19.485 -0.476 0.053 1.00 0.00 O ATOM 1285 CB LEU A 80 18.646 -1.161 -2.857 1.00 0.00 C ATOM 1286 CG LEU A 80 18.848 -2.536 -3.513 1.00 0.00 C ATOM 1287 CD1 LEU A 80 19.812 -2.431 -4.681 1.00 0.00 C ATOM 1288 CD2 LEU A 80 19.355 -3.561 -2.523 1.00 0.00 C ATOM 0 H LEU A 80 16.049 -0.001 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 80 17.087 -1.954 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.170 -0.502 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.627 -0.739 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 80 17.875 -2.868 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.943 -3.414 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.411 -1.740 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.775 -2.063 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.485 -4.519 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.311 -3.232 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.635 -3.671 -1.712 1.00 0.00 H new ATOM 1300 N TYR A 81 18.595 -2.518 0.282 1.00 0.00 N ATOM 1301 CA TYR A 81 19.461 -2.879 1.391 1.00 0.00 C ATOM 1302 C TYR A 81 20.662 -3.653 0.855 1.00 0.00 C ATOM 1303 O TYR A 81 20.537 -4.804 0.425 1.00 0.00 O ATOM 1304 CB TYR A 81 18.700 -3.719 2.420 1.00 0.00 C ATOM 1305 CG TYR A 81 19.424 -3.878 3.736 1.00 0.00 C ATOM 1306 CD1 TYR A 81 20.451 -4.802 3.884 1.00 0.00 C ATOM 1307 CD2 TYR A 81 19.083 -3.095 4.831 1.00 0.00 C ATOM 1308 CE1 TYR A 81 21.115 -4.941 5.084 1.00 0.00 C ATOM 1309 CE2 TYR A 81 19.743 -3.228 6.036 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.760 -4.154 6.157 1.00 0.00 C ATOM 1311 OH TYR A 81 21.432 -4.289 7.349 1.00 0.00 O ATOM 0 H TYR A 81 17.910 -3.231 0.031 1.00 0.00 H new ATOM 0 HA TYR A 81 19.805 -1.972 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.729 -3.259 2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.510 -4.706 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.734 -5.421 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.288 -2.370 4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 81 21.911 -5.664 5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.466 -2.612 6.879 1.00 0.00 H new ATOM 0 HH TYR A 81 21.063 -3.662 8.005 1.00 0.00 H new ATOM 1321 N LEU A 82 21.817 -3.009 0.852 1.00 0.00 N ATOM 1322 CA LEU A 82 23.023 -3.617 0.314 1.00 0.00 C ATOM 1323 C LEU A 82 23.738 -4.448 1.369 1.00 0.00 C ATOM 1324 O LEU A 82 24.506 -3.923 2.175 1.00 0.00 O ATOM 1325 CB LEU A 82 23.977 -2.558 -0.252 1.00 0.00 C ATOM 1326 CG LEU A 82 23.564 -1.940 -1.593 1.00 0.00 C ATOM 1327 CD1 LEU A 82 22.367 -1.018 -1.436 1.00 0.00 C ATOM 1328 CD2 LEU A 82 24.728 -1.186 -2.208 1.00 0.00 C ATOM 0 H LEU A 82 21.945 -2.065 1.216 1.00 0.00 H new ATOM 0 HA LEU A 82 22.716 -4.275 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.077 -1.757 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.963 -3.009 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 82 23.275 -2.754 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 82 22.102 -0.598 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 82 21.522 -1.583 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 82 22.617 -0.211 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 82 24.419 -0.753 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 82 25.044 -0.391 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 82 25.559 -1.872 -2.374 1.00 0.00 H new ATOM 1340 N GLY A 83 23.461 -5.744 1.368 1.00 0.00 N ATOM 1341 CA GLY A 83 24.158 -6.652 2.258 1.00 0.00 C ATOM 1342 C GLY A 83 25.513 -7.054 1.705 1.00 0.00 C ATOM 1343 O GLY A 83 26.020 -6.427 0.770 1.00 0.00 O ATOM 0 H GLY A 83 22.765 -6.184 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 83 24.289 -6.178 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.551 -7.543 2.416 1.00 0.00 H new ATOM 1347 N GLY A 84 26.095 -8.102 2.266 1.00 0.00 N ATOM 1348 CA GLY A 84 27.393 -8.562 1.817 1.00 0.00 C ATOM 1349 C GLY A 84 27.294 -9.415 0.571 1.00 0.00 C ATOM 1350 O GLY A 84 28.132 -9.323 -0.329 1.00 0.00 O ATOM 0 H GLY A 84 25.690 -8.645 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 84 28.033 -7.702 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 84 27.869 -9.136 2.612 1.00 0.00 H new ATOM 1354 N GLU A 85 26.270 -10.252 0.524 1.00 0.00 N ATOM 1355 CA GLU A 85 26.027 -11.107 -0.617 1.00 0.00 C ATOM 1356 C GLU A 85 25.111 -10.410 -1.619 1.00 0.00 C ATOM 1357 O GLU A 85 25.428 -9.327 -2.109 1.00 0.00 O ATOM 1358 CB GLU A 85 25.408 -12.420 -0.147 1.00 0.00 C ATOM 1359 CG GLU A 85 26.317 -13.229 0.759 1.00 0.00 C ATOM 1360 CD GLU A 85 27.630 -13.583 0.096 1.00 0.00 C ATOM 1361 OE1 GLU A 85 28.593 -12.790 0.198 1.00 0.00 O ATOM 1362 OE2 GLU A 85 27.709 -14.652 -0.537 1.00 0.00 O ATOM 0 H GLU A 85 25.588 -10.355 1.276 1.00 0.00 H new ATOM 0 HA GLU A 85 26.974 -11.319 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 85 24.479 -12.206 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 85 25.148 -13.022 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 85 26.514 -12.663 1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 85 25.806 -14.144 1.057 1.00 0.00 H new ATOM 1369 N THR A 86 23.977 -11.023 -1.912 1.00 0.00 N ATOM 1370 CA THR A 86 23.012 -10.434 -2.820 1.00 0.00 C ATOM 1371 C THR A 86 22.194 -9.353 -2.116 1.00 0.00 C ATOM 1372 O THR A 86 21.690 -9.558 -1.010 1.00 0.00 O ATOM 1373 CB THR A 86 22.086 -11.513 -3.413 1.00 0.00 C ATOM 1374 OG1 THR A 86 21.704 -12.449 -2.391 1.00 0.00 O ATOM 1375 CG2 THR A 86 22.780 -12.251 -4.546 1.00 0.00 C ATOM 0 H THR A 86 23.703 -11.929 -1.533 1.00 0.00 H new ATOM 0 HA THR A 86 23.561 -9.969 -3.639 1.00 0.00 H new ATOM 0 HB THR A 86 21.196 -11.023 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 86 21.114 -13.131 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 86 22.109 -13.009 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 86 23.046 -11.544 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 86 23.683 -12.730 -4.169 1.00 0.00 H new ATOM 1383 N HIS A 87 22.096 -8.191 -2.748 1.00 0.00 N ATOM 1384 CA HIS A 87 21.383 -7.059 -2.169 1.00 0.00 C ATOM 1385 C HIS A 87 19.879 -7.249 -2.339 1.00 0.00 C ATOM 1386 O HIS A 87 19.422 -7.775 -3.354 1.00 0.00 O ATOM 1387 CB HIS A 87 21.825 -5.733 -2.813 1.00 0.00 C ATOM 1388 CG HIS A 87 23.314 -5.536 -2.885 1.00 0.00 C ATOM 1389 ND1 HIS A 87 23.927 -4.812 -3.883 1.00 0.00 N ATOM 1390 CD2 HIS A 87 24.309 -5.962 -2.070 1.00 0.00 C ATOM 1391 CE1 HIS A 87 25.230 -4.798 -3.679 1.00 0.00 C ATOM 1392 NE2 HIS A 87 25.491 -5.490 -2.586 1.00 0.00 N ATOM 0 H HIS A 87 22.503 -8.007 -3.665 1.00 0.00 H new ATOM 0 HA HIS A 87 21.623 -7.014 -1.107 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.416 -5.681 -3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.390 -4.908 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.194 -6.562 -1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 87 25.961 -4.303 -4.302 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.418 -5.648 -2.190 1.00 0.00 H new ATOM 1401 N GLU A 88 19.109 -6.804 -1.354 1.00 0.00 N ATOM 1402 CA GLU A 88 17.667 -6.988 -1.376 1.00 0.00 C ATOM 1403 C GLU A 88 16.968 -5.673 -1.067 1.00 0.00 C ATOM 1404 O GLU A 88 17.375 -4.932 -0.179 1.00 0.00 O ATOM 1405 CB GLU A 88 17.226 -8.101 -0.410 1.00 0.00 C ATOM 1406 CG GLU A 88 17.947 -8.107 0.934 1.00 0.00 C ATOM 1407 CD GLU A 88 17.446 -9.207 1.859 1.00 0.00 C ATOM 1408 OE1 GLU A 88 17.104 -10.302 1.364 1.00 0.00 O ATOM 1409 OE2 GLU A 88 17.359 -8.971 3.083 1.00 0.00 O ATOM 0 H GLU A 88 19.460 -6.314 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 88 17.376 -7.305 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.155 -8.004 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.382 -9.065 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.017 -8.235 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.813 -7.140 1.419 1.00 0.00 H new ATOM 1416 N HIS A 89 15.923 -5.383 -1.820 1.00 0.00 N ATOM 1417 CA HIS A 89 15.256 -4.088 -1.747 1.00 0.00 C ATOM 1418 C HIS A 89 14.203 -4.126 -0.649 1.00 0.00 C ATOM 1419 O HIS A 89 13.567 -5.152 -0.456 1.00 0.00 O ATOM 1420 CB HIS A 89 14.604 -3.754 -3.093 1.00 0.00 C ATOM 1421 CG HIS A 89 15.492 -3.948 -4.294 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.979 -2.905 -5.054 1.00 0.00 N ATOM 1423 CD2 HIS A 89 15.952 -5.080 -4.883 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.694 -3.390 -6.054 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.695 -4.705 -5.972 1.00 0.00 N ATOM 0 H HIS A 89 15.513 -6.029 -2.495 1.00 0.00 H new ATOM 0 HA HIS A 89 15.990 -3.315 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.715 -4.373 -3.213 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.269 -2.717 -3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.767 -6.092 -4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 89 17.194 -2.806 -6.812 1.00 0.00 H new ATOM 0 HE2 HIS A 89 17.171 -5.340 -6.613 1.00 0.00 H new ATOM 1434 N TYR A 90 14.005 -3.032 0.072 1.00 0.00 N ATOM 1435 CA TYR A 90 13.101 -3.074 1.214 1.00 0.00 C ATOM 1436 C TYR A 90 12.065 -1.960 1.188 1.00 0.00 C ATOM 1437 O TYR A 90 12.327 -0.847 0.729 1.00 0.00 O ATOM 1438 CB TYR A 90 13.878 -3.029 2.536 1.00 0.00 C ATOM 1439 CG TYR A 90 14.626 -1.739 2.799 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.911 -1.545 2.310 1.00 0.00 C ATOM 1441 CD2 TYR A 90 14.051 -0.723 3.553 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.600 -0.376 2.564 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.735 0.446 3.815 1.00 0.00 C ATOM 1444 CZ TYR A 90 16.006 0.616 3.317 1.00 0.00 C ATOM 1445 OH TYR A 90 16.695 1.776 3.589 1.00 0.00 O ATOM 0 H TYR A 90 14.443 -2.128 -0.105 1.00 0.00 H new ATOM 0 HA TYR A 90 12.567 -4.021 1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.180 -3.199 3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.591 -3.853 2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.379 -2.321 1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.051 -0.851 3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.598 -0.239 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.275 1.223 4.408 1.00 0.00 H new ATOM 0 HH TYR A 90 16.134 2.371 4.129 1.00 0.00 H new ATOM 1455 N GLY A 91 10.885 -2.293 1.692 1.00 0.00 N ATOM 1456 CA GLY A 91 9.845 -1.315 1.909 1.00 0.00 C ATOM 1457 C GLY A 91 9.291 -1.445 3.313 1.00 0.00 C ATOM 1458 O GLY A 91 9.683 -2.356 4.047 1.00 0.00 O ATOM 0 H GLY A 91 10.629 -3.244 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.242 -0.311 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.046 -1.455 1.180 1.00 0.00 H new ATOM 1462 N ILE A 92 8.384 -0.558 3.695 1.00 0.00 N ATOM 1463 CA ILE A 92 7.843 -0.570 5.049 1.00 0.00 C ATOM 1464 C ILE A 92 6.463 -1.223 5.087 1.00 0.00 C ATOM 1465 O ILE A 92 5.496 -0.695 4.527 1.00 0.00 O ATOM 1466 CB ILE A 92 7.762 0.856 5.631 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.127 1.539 5.514 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.308 0.810 7.086 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.143 2.964 6.016 1.00 0.00 C ATOM 0 H ILE A 92 8.008 0.175 3.093 1.00 0.00 H new ATOM 0 HA ILE A 92 8.525 -1.159 5.662 1.00 0.00 H new ATOM 0 HB ILE A 92 7.030 1.432 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.862 0.959 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.439 1.528 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.256 1.824 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.324 0.346 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.020 0.228 7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.144 3.379 5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.434 3.560 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.863 2.982 7.069 1.00 0.00 H new ATOM 1481 N PRO A 93 6.357 -2.391 5.744 1.00 0.00 N ATOM 1482 CA PRO A 93 5.105 -3.145 5.854 1.00 0.00 C ATOM 1483 C PRO A 93 4.116 -2.516 6.827 1.00 0.00 C ATOM 1484 O PRO A 93 4.497 -2.006 7.881 1.00 0.00 O ATOM 1485 CB PRO A 93 5.543 -4.523 6.376 1.00 0.00 C ATOM 1486 CG PRO A 93 7.035 -4.525 6.303 1.00 0.00 C ATOM 1487 CD PRO A 93 7.455 -3.090 6.419 1.00 0.00 C ATOM 0 HA PRO A 93 4.586 -3.178 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.200 -4.682 7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.120 -5.324 5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.464 -5.124 7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.379 -4.958 5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.558 -2.779 7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.414 -2.906 5.935 1.00 0.00 H new ATOM 1495 N HIS A 94 2.846 -2.556 6.463 1.00 0.00 N ATOM 1496 CA HIS A 94 1.777 -2.035 7.305 1.00 0.00 C ATOM 1497 C HIS A 94 0.657 -3.053 7.386 1.00 0.00 C ATOM 1498 O HIS A 94 0.851 -4.210 7.028 1.00 0.00 O ATOM 1499 CB HIS A 94 1.243 -0.715 6.744 1.00 0.00 C ATOM 1500 CG HIS A 94 2.236 0.397 6.808 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.319 0.480 5.967 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.323 1.460 7.639 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.033 1.540 6.276 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.453 2.159 7.288 1.00 0.00 N ATOM 0 H HIS A 94 2.525 -2.949 5.578 1.00 0.00 H new ATOM 0 HA HIS A 94 2.174 -1.848 8.303 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.941 -0.864 5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.349 -0.428 7.298 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.536 -0.179 5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.633 1.713 8.431 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.942 1.852 5.784 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.501 -2.616 7.847 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.653 -3.483 7.898 1.00 0.00 C ATOM 1515 C GLY A 95 -2.869 -2.743 8.392 1.00 0.00 C ATOM 1516 O GLY A 95 -2.743 -1.711 9.053 1.00 0.00 O ATOM 0 H GLY A 95 -0.664 -1.669 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.850 -3.890 6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.447 -4.328 8.554 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.045 -3.262 8.080 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.289 -2.592 8.424 1.00 0.00 C ATOM 1522 C PHE A 96 -6.372 -3.598 8.768 1.00 0.00 C ATOM 1523 O PHE A 96 -6.139 -4.804 8.779 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.777 -1.716 7.262 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.890 -0.544 6.961 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.985 0.620 7.705 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -3.960 -0.606 5.938 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -4.169 1.699 7.433 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.141 0.469 5.662 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.245 1.623 6.410 1.00 0.00 C ATOM 0 H PHE A 96 -4.165 -4.147 7.588 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.089 -1.965 9.293 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.861 -2.333 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.778 -1.350 7.493 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.706 0.684 8.507 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.874 -1.507 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.253 2.602 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.419 0.407 4.861 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.605 2.466 6.196 1.00 0.00 H new ATOM 1540 N SER A 97 -7.557 -3.082 9.027 1.00 0.00 N ATOM 1541 CA SER A 97 -8.722 -3.906 9.293 1.00 0.00 C ATOM 1542 C SER A 97 -9.995 -3.155 8.912 1.00 0.00 C ATOM 1543 O SER A 97 -11.106 -3.593 9.212 1.00 0.00 O ATOM 1544 CB SER A 97 -8.745 -4.291 10.773 1.00 0.00 C ATOM 1545 OG SER A 97 -8.389 -3.183 11.589 1.00 0.00 O ATOM 0 H SER A 97 -7.741 -2.079 9.059 1.00 0.00 H new ATOM 0 HA SER A 97 -8.670 -4.814 8.692 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.739 -4.645 11.046 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.054 -5.115 10.950 1.00 0.00 H new ATOM 0 HG SER A 97 -8.412 -3.450 12.532 1.00 0.00 H new ATOM 1551 N SER A 98 -9.816 -2.039 8.211 1.00 0.00 N ATOM 1552 CA SER A 98 -10.922 -1.191 7.806 1.00 0.00 C ATOM 1553 C SER A 98 -10.593 -0.522 6.476 1.00 0.00 C ATOM 1554 O SER A 98 -9.523 0.082 6.321 1.00 0.00 O ATOM 1555 CB SER A 98 -11.195 -0.124 8.869 1.00 0.00 C ATOM 1556 OG SER A 98 -11.372 -0.703 10.149 1.00 0.00 O ATOM 0 H SER A 98 -8.901 -1.702 7.911 1.00 0.00 H new ATOM 0 HA SER A 98 -11.814 -1.807 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.365 0.582 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.086 0.442 8.598 1.00 0.00 H new ATOM 0 HG SER A 98 -11.543 0.003 10.807 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.499 -0.638 5.515 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.302 -0.024 4.206 1.00 0.00 C ATOM 1564 C ARG A 99 -11.156 1.485 4.335 1.00 0.00 C ATOM 1565 O ARG A 99 -10.292 2.089 3.702 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.461 -0.358 3.267 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.566 -1.835 2.941 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.745 -2.111 2.031 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.891 -3.535 1.747 1.00 0.00 N ATOM 1570 CZ ARG A 99 -15.056 -4.125 1.494 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -16.177 -3.411 1.467 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -15.095 -5.427 1.249 1.00 0.00 N ATOM 0 H ARG A 99 -12.376 -1.150 5.615 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.383 -0.430 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.394 -0.027 3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.341 0.203 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.646 -2.171 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.672 -2.407 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.658 -1.738 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.618 -1.565 1.096 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.050 -4.112 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.146 -2.406 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.068 -3.868 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.234 -5.973 1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.987 -5.883 1.055 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.003 2.090 5.161 1.00 0.00 N ATOM 1587 CA ILE A 100 -11.941 3.528 5.391 1.00 0.00 C ATOM 1588 C ILE A 100 -10.593 3.945 5.985 1.00 0.00 C ATOM 1589 O ILE A 100 -10.118 5.050 5.739 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.088 4.024 6.297 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.038 5.552 6.403 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.014 3.379 7.676 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -14.186 6.148 7.175 1.00 0.00 C ATOM 0 H ILE A 100 -12.737 1.609 5.680 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.054 3.998 4.414 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.039 3.733 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.102 5.843 6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.029 5.976 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.834 3.746 8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.092 2.296 7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.064 3.633 8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.080 7.232 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.126 5.889 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.184 5.754 8.191 1.00 0.00 H new ATOM 1605 N ALA A 101 -9.969 3.056 6.754 1.00 0.00 N ATOM 1606 CA ALA A 101 -8.667 3.356 7.331 1.00 0.00 C ATOM 1607 C ALA A 101 -7.637 3.508 6.228 1.00 0.00 C ATOM 1608 O ALA A 101 -6.819 4.423 6.253 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.232 2.285 8.318 1.00 0.00 C ATOM 0 H ALA A 101 -10.340 2.135 6.988 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.749 4.294 7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.256 2.543 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.959 2.219 9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.169 1.324 7.808 1.00 0.00 H new ATOM 1615 N LEU A 102 -7.700 2.613 5.250 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.837 2.710 4.081 1.00 0.00 C ATOM 1617 C LEU A 102 -7.195 3.954 3.266 1.00 0.00 C ATOM 1618 O LEU A 102 -6.319 4.620 2.713 1.00 0.00 O ATOM 1619 CB LEU A 102 -6.960 1.449 3.220 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.091 1.431 1.959 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.622 1.597 2.315 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.306 0.141 1.187 1.00 0.00 C ATOM 0 H LEU A 102 -8.336 1.816 5.243 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.803 2.797 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.702 0.585 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.003 1.331 2.925 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.387 2.269 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.023 1.581 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.477 2.548 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.311 0.781 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.682 0.143 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.037 -0.708 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.354 0.061 0.897 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.488 4.266 3.217 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.977 5.457 2.530 1.00 0.00 C ATOM 1636 C GLU A 103 -8.336 6.710 3.132 1.00 0.00 C ATOM 1637 O GLU A 103 -7.683 7.485 2.436 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.506 5.537 2.641 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.195 6.123 1.415 1.00 0.00 C ATOM 1640 CD GLU A 103 -10.917 7.600 1.220 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -11.276 8.399 2.112 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -10.350 7.969 0.177 1.00 0.00 O ATOM 0 H GLU A 103 -9.221 3.704 3.649 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.704 5.396 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.898 4.536 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.764 6.140 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.869 5.579 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.271 5.971 1.504 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.500 6.883 4.442 1.00 0.00 N ATOM 1650 CA ARG A 104 -7.923 8.032 5.134 1.00 0.00 C ATOM 1651 C ARG A 104 -6.405 7.989 5.069 1.00 0.00 C ATOM 1652 O ARG A 104 -5.753 9.026 5.031 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.346 8.082 6.601 1.00 0.00 C ATOM 1654 CG ARG A 104 -9.840 7.991 6.837 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.163 8.163 8.313 1.00 0.00 C ATOM 1656 NE ARG A 104 -9.289 7.348 9.165 1.00 0.00 N ATOM 1657 CZ ARG A 104 -9.456 7.188 10.476 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -10.487 7.743 11.098 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -8.588 6.460 11.170 1.00 0.00 N ATOM 0 H ARG A 104 -9.024 6.246 5.042 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.295 8.923 4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.858 7.265 7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.980 9.011 7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.352 8.758 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.210 7.027 6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.060 9.213 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.202 7.888 8.491 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.502 6.873 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.161 8.299 10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.606 7.614 12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.795 6.025 10.698 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.714 6.336 12.175 1.00 0.00 H new ATOM 1673 N TYR A 105 -5.848 6.782 5.061 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.408 6.605 4.990 1.00 0.00 C ATOM 1675 C TYR A 105 -3.868 7.242 3.716 1.00 0.00 C ATOM 1676 O TYR A 105 -2.896 7.998 3.749 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.054 5.114 5.025 1.00 0.00 C ATOM 1678 CG TYR A 105 -2.571 4.840 5.099 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -1.916 4.824 6.321 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -1.826 4.606 3.950 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -0.557 4.583 6.399 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -0.468 4.361 4.019 1.00 0.00 C ATOM 1683 CZ TYR A 105 0.162 4.352 5.247 1.00 0.00 C ATOM 1684 OH TYR A 105 1.515 4.108 5.323 1.00 0.00 O ATOM 0 H TYR A 105 -6.377 5.911 5.103 1.00 0.00 H new ATOM 0 HA TYR A 105 -3.951 7.092 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.542 4.655 5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.459 4.633 4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.477 5.003 7.227 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.316 4.616 2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.061 4.576 7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 105 0.097 4.178 3.117 1.00 0.00 H new ATOM 0 HH TYR A 105 1.883 4.551 6.116 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.516 6.935 2.598 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.151 7.516 1.316 1.00 0.00 C ATOM 1696 C LEU A 106 -4.287 9.031 1.352 1.00 0.00 C ATOM 1697 O LEU A 106 -3.450 9.742 0.820 1.00 0.00 O ATOM 1698 CB LEU A 106 -5.021 6.943 0.198 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.841 5.449 -0.052 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.792 4.977 -1.137 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.400 5.145 -0.427 1.00 0.00 C ATOM 0 H LEU A 106 -5.300 6.284 2.556 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.110 7.263 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.067 7.133 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.802 7.480 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.075 4.910 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.652 3.909 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.820 5.164 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.588 5.519 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.288 4.075 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.137 5.691 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.740 5.451 0.385 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.333 9.509 2.006 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.613 10.939 2.076 1.00 0.00 C ATOM 1715 C ASN A 107 -4.647 11.662 3.007 1.00 0.00 C ATOM 1716 O ASN A 107 -4.278 12.814 2.771 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.048 11.161 2.541 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.055 10.983 1.424 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -8.392 11.935 0.721 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.537 9.764 1.252 1.00 0.00 N ATOM 0 H ASN A 107 -6.008 8.925 2.500 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.480 11.354 1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.277 10.464 3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.141 12.166 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.216 9.584 0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.229 9.004 1.858 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.244 10.993 4.067 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.302 11.581 4.988 1.00 0.00 C ATOM 1729 C GLY A 108 -1.893 11.592 4.432 1.00 0.00 C ATOM 1730 O GLY A 108 -1.205 12.614 4.479 1.00 0.00 O ATOM 0 H GLY A 108 -4.552 10.051 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.609 12.601 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.317 11.025 5.926 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.464 10.456 3.900 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.098 10.305 3.416 1.00 0.00 C ATOM 1736 C LEU A 109 0.081 10.903 2.016 1.00 0.00 C ATOM 1737 O LEU A 109 0.942 11.755 1.809 1.00 0.00 O ATOM 1738 CB LEU A 109 0.300 8.825 3.431 1.00 0.00 C ATOM 1739 CG LEU A 109 1.805 8.552 3.398 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.500 9.265 4.549 1.00 0.00 C ATOM 1741 CD2 LEU A 109 2.067 7.055 3.470 1.00 0.00 C ATOM 0 H LEU A 109 -2.043 9.623 3.792 1.00 0.00 H new ATOM 0 HA LEU A 109 0.560 10.858 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.117 8.363 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.161 8.333 2.574 1.00 0.00 H new ATOM 0 HG LEU A 109 2.208 8.935 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.570 9.060 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.333 10.339 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.096 8.907 5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.141 6.872 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.652 6.657 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.596 6.562 2.620 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.747 10.469 1.069 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.612 10.887 -0.331 1.00 0.00 C ATOM 1755 C PHE A 110 -1.835 11.692 -0.778 1.00 0.00 C ATOM 1756 O PHE A 110 -2.134 11.771 -1.969 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.484 9.664 -1.252 1.00 0.00 C ATOM 1758 CG PHE A 110 0.557 8.652 -0.851 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.909 8.915 -1.010 1.00 0.00 C ATOM 1760 CD2 PHE A 110 0.174 7.420 -0.342 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.858 7.970 -0.662 1.00 0.00 C ATOM 1762 CE2 PHE A 110 1.117 6.471 0.002 1.00 0.00 C ATOM 1763 CZ PHE A 110 2.461 6.745 -0.158 1.00 0.00 C ATOM 0 H PHE A 110 -1.521 9.827 1.242 1.00 0.00 H new ATOM 0 HA PHE A 110 0.284 11.503 -0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.452 9.164 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.257 10.013 -2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.225 9.867 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.875 7.200 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.908 8.189 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.803 5.515 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.200 6.004 0.110 1.00 0.00 H new ATOM 1773 N GLY A 111 -2.525 12.302 0.175 1.00 0.00 N ATOM 1774 CA GLY A 111 -3.827 12.893 -0.101 1.00 0.00 C ATOM 1775 C GLY A 111 -3.796 14.055 -1.072 1.00 0.00 C ATOM 1776 O GLY A 111 -4.766 14.282 -1.797 1.00 0.00 O ATOM 0 H GLY A 111 -2.208 12.401 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -4.485 12.121 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.264 13.232 0.838 1.00 0.00 H new ATOM 1780 N ASP A 112 -2.702 14.797 -1.091 1.00 0.00 N ATOM 1781 CA ASP A 112 -2.602 15.951 -1.969 1.00 0.00 C ATOM 1782 C ASP A 112 -2.031 15.558 -3.319 1.00 0.00 C ATOM 1783 O ASP A 112 -2.666 14.837 -4.088 1.00 0.00 O ATOM 1784 CB ASP A 112 -1.797 17.075 -1.305 1.00 0.00 C ATOM 1785 CG ASP A 112 -1.850 18.362 -2.105 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -2.925 18.995 -2.149 1.00 0.00 O ATOM 1787 OD2 ASP A 112 -0.818 18.742 -2.699 1.00 0.00 O ATOM 0 H ASP A 112 -1.878 14.624 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.606 16.337 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.185 17.255 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.759 16.760 -1.193 1.00 0.00 H new TER 1792 ASP A 112