USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 49:sc= 0.43 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -52:sc= -0.0549 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 160:sc= -0.224 (180deg=-1.44) USER MOD Single : A 20 MET CE :methyl -162:sc= -0.836 (180deg=-1.92!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.68) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0498) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.15! C(o=-2.1!,f=-5.9!) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.9 K(o=-1.9,f=-3.6!) USER MOD Single : A 52 GLN : amide:sc= -0.005 X(o=-0.005,f=-0.19) USER MOD Single : A 53 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.032) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 5:sc= 0.638 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -0.273 K(o=-0.27,f=-3.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 67 SER OG : rot 180:sc= -0.317 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -19:sc= 0.735 USER MOD Single : A 86 ASN : amide:sc= -2.04 K(o=-2,f=-8.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.0591 K(o=-0.059,f=-1.3) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.254 -19.799 4.517 1.00 0.00 N ATOM 2 CA GLY A 1 -1.474 -21.218 4.738 1.00 0.00 C ATOM 3 C GLY A 1 -0.705 -22.058 3.717 1.00 0.00 C ATOM 4 O GLY A 1 0.522 -21.992 3.651 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.787 -19.251 5.223 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.240 -19.587 4.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.578 -19.542 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.158 -21.486 5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.539 -21.440 4.668 1.00 0.00 H new ATOM 8 N SER A 2 -1.457 -22.829 2.945 1.00 0.00 N ATOM 9 CA SER A 2 -0.861 -23.681 1.930 1.00 0.00 C ATOM 10 C SER A 2 -1.908 -24.052 0.878 1.00 0.00 C ATOM 11 O SER A 2 -3.089 -24.192 1.195 1.00 0.00 O ATOM 12 CB SER A 2 -0.263 -24.944 2.553 1.00 0.00 C ATOM 13 OG SER A 2 -1.260 -25.920 2.842 1.00 0.00 O ATOM 0 H SER A 2 -2.474 -22.881 3.002 1.00 0.00 H new ATOM 0 HA SER A 2 -0.053 -23.128 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.475 -25.370 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.264 -24.681 3.470 1.00 0.00 H new ATOM 0 HG SER A 2 -0.838 -26.712 3.237 1.00 0.00 H new ATOM 19 N SER A 3 -1.438 -24.202 -0.351 1.00 0.00 N ATOM 20 CA SER A 3 -2.319 -24.555 -1.452 1.00 0.00 C ATOM 21 C SER A 3 -3.406 -23.490 -1.613 1.00 0.00 C ATOM 22 O SER A 3 -3.554 -22.615 -0.762 1.00 0.00 O ATOM 23 CB SER A 3 -2.952 -25.930 -1.232 1.00 0.00 C ATOM 24 OG SER A 3 -2.487 -26.889 -2.178 1.00 0.00 O ATOM 0 H SER A 3 -0.458 -24.086 -0.609 1.00 0.00 H new ATOM 0 HA SER A 3 -1.725 -24.601 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.726 -26.276 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.036 -25.846 -1.304 1.00 0.00 H new ATOM 0 HG SER A 3 -2.913 -27.754 -2.003 1.00 0.00 H new ATOM 30 N GLY A 4 -4.140 -23.601 -2.711 1.00 0.00 N ATOM 31 CA GLY A 4 -5.209 -22.659 -2.995 1.00 0.00 C ATOM 32 C GLY A 4 -4.651 -21.258 -3.253 1.00 0.00 C ATOM 33 O GLY A 4 -3.838 -20.758 -2.478 1.00 0.00 O ATOM 0 H GLY A 4 -4.015 -24.329 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.773 -22.995 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.904 -22.629 -2.156 1.00 0.00 H new ATOM 37 N SER A 5 -5.111 -20.664 -4.344 1.00 0.00 N ATOM 38 CA SER A 5 -4.668 -19.330 -4.713 1.00 0.00 C ATOM 39 C SER A 5 -5.794 -18.321 -4.478 1.00 0.00 C ATOM 40 O SER A 5 -6.476 -17.917 -5.419 1.00 0.00 O ATOM 41 CB SER A 5 -4.212 -19.286 -6.173 1.00 0.00 C ATOM 42 OG SER A 5 -5.232 -19.727 -7.065 1.00 0.00 O ATOM 0 H SER A 5 -5.786 -21.082 -4.985 1.00 0.00 H new ATOM 0 HA SER A 5 -3.816 -19.067 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.920 -18.268 -6.431 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.328 -19.912 -6.296 1.00 0.00 H new ATOM 0 HG SER A 5 -6.074 -19.275 -6.848 1.00 0.00 H new ATOM 48 N SER A 6 -5.954 -17.944 -3.218 1.00 0.00 N ATOM 49 CA SER A 6 -6.986 -16.990 -2.848 1.00 0.00 C ATOM 50 C SER A 6 -6.349 -15.653 -2.465 1.00 0.00 C ATOM 51 O SER A 6 -5.949 -15.458 -1.318 1.00 0.00 O ATOM 52 CB SER A 6 -7.839 -17.521 -1.695 1.00 0.00 C ATOM 53 OG SER A 6 -9.198 -17.107 -1.801 1.00 0.00 O ATOM 0 H SER A 6 -5.387 -18.282 -2.441 1.00 0.00 H new ATOM 0 HA SER A 6 -7.639 -16.841 -3.708 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.792 -18.610 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.427 -17.172 -0.748 1.00 0.00 H new ATOM 0 HG SER A 6 -9.710 -17.468 -1.047 1.00 0.00 H new ATOM 59 N GLY A 7 -6.274 -14.766 -3.446 1.00 0.00 N ATOM 60 CA GLY A 7 -5.693 -13.453 -3.226 1.00 0.00 C ATOM 61 C GLY A 7 -5.704 -12.625 -4.513 1.00 0.00 C ATOM 62 O GLY A 7 -6.259 -13.051 -5.524 1.00 0.00 O ATOM 0 H GLY A 7 -6.606 -14.931 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.250 -12.931 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.669 -13.560 -2.867 1.00 0.00 H new ATOM 66 N MET A 8 -5.085 -11.456 -4.432 1.00 0.00 N ATOM 67 CA MET A 8 -5.018 -10.565 -5.578 1.00 0.00 C ATOM 68 C MET A 8 -3.737 -9.729 -5.547 1.00 0.00 C ATOM 69 O MET A 8 -3.018 -9.724 -4.549 1.00 0.00 O ATOM 70 CB MET A 8 -6.234 -9.636 -5.575 1.00 0.00 C ATOM 71 CG MET A 8 -6.475 -9.053 -4.181 1.00 0.00 C ATOM 72 SD MET A 8 -8.185 -9.269 -3.716 1.00 0.00 S ATOM 73 CE MET A 8 -8.847 -7.694 -4.232 1.00 0.00 C ATOM 0 H MET A 8 -4.626 -11.106 -3.591 1.00 0.00 H new ATOM 0 HA MET A 8 -5.014 -11.169 -6.485 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.080 -8.827 -6.290 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.117 -10.186 -5.901 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.827 -9.545 -3.455 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.218 -7.994 -4.171 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.914 -7.659 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.340 -6.893 -3.695 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.692 -7.568 -5.303 1.00 0.00 H new ATOM 83 N THR A 9 -3.490 -9.042 -6.653 1.00 0.00 N ATOM 84 CA THR A 9 -2.308 -8.204 -6.765 1.00 0.00 C ATOM 85 C THR A 9 -2.708 -6.744 -6.988 1.00 0.00 C ATOM 86 O THR A 9 -2.965 -6.333 -8.118 1.00 0.00 O ATOM 87 CB THR A 9 -1.431 -8.771 -7.884 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.636 -9.760 -7.235 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.412 -7.754 -8.401 1.00 0.00 C ATOM 0 H THR A 9 -4.088 -9.049 -7.479 1.00 0.00 H new ATOM 0 HA THR A 9 -1.729 -8.212 -5.842 1.00 0.00 H new ATOM 0 HB THR A 9 -2.063 -9.102 -8.708 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.038 -10.180 -7.888 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.184 -8.207 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.935 -6.882 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.242 -7.447 -7.585 1.00 0.00 H new ATOM 97 N VAL A 10 -2.748 -6.002 -5.891 1.00 0.00 N ATOM 98 CA VAL A 10 -3.113 -4.597 -5.952 1.00 0.00 C ATOM 99 C VAL A 10 -1.858 -3.759 -6.205 1.00 0.00 C ATOM 100 O VAL A 10 -0.978 -3.677 -5.349 1.00 0.00 O ATOM 101 CB VAL A 10 -3.853 -4.192 -4.675 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.200 -2.702 -4.691 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.108 -5.045 -4.476 1.00 0.00 C ATOM 0 H VAL A 10 -2.534 -6.347 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.798 -4.417 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.188 -4.371 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.725 -2.441 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.284 -2.116 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.838 -2.486 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.616 -4.737 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.778 -4.911 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.826 -6.095 -4.399 1.00 0.00 H new ATOM 113 N ARG A 11 -1.814 -3.158 -7.386 1.00 0.00 N ATOM 114 CA ARG A 11 -0.682 -2.330 -7.763 1.00 0.00 C ATOM 115 C ARG A 11 -0.823 -0.931 -7.159 1.00 0.00 C ATOM 116 O ARG A 11 -1.890 -0.324 -7.233 1.00 0.00 O ATOM 117 CB ARG A 11 -0.567 -2.213 -9.284 1.00 0.00 C ATOM 118 CG ARG A 11 0.021 -3.489 -9.889 1.00 0.00 C ATOM 119 CD ARG A 11 0.456 -3.259 -11.338 1.00 0.00 C ATOM 120 NE ARG A 11 0.960 -4.522 -11.922 1.00 0.00 N ATOM 121 CZ ARG A 11 2.133 -5.084 -11.599 1.00 0.00 C ATOM 122 NH1 ARG A 11 2.930 -4.498 -10.696 1.00 0.00 N ATOM 123 NH2 ARG A 11 2.508 -6.231 -12.181 1.00 0.00 N ATOM 0 H ARG A 11 -2.545 -3.229 -8.094 1.00 0.00 H new ATOM 0 HA ARG A 11 0.220 -2.806 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.551 -2.023 -9.713 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.063 -1.361 -9.540 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.875 -3.816 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.719 -4.289 -9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.385 -2.888 -11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.233 -2.496 -11.376 1.00 0.00 H new ATOM 0 HE ARG A 11 0.378 -4.994 -12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.644 -3.624 -10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.823 -4.926 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.901 -6.676 -12.869 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.401 -6.659 -11.936 1.00 0.00 H new ATOM 137 N VAL A 12 0.270 -0.460 -6.576 1.00 0.00 N ATOM 138 CA VAL A 12 0.281 0.856 -5.961 1.00 0.00 C ATOM 139 C VAL A 12 1.277 1.752 -6.700 1.00 0.00 C ATOM 140 O VAL A 12 2.461 1.778 -6.365 1.00 0.00 O ATOM 141 CB VAL A 12 0.583 0.732 -4.466 1.00 0.00 C ATOM 142 CG1 VAL A 12 1.122 2.049 -3.905 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.655 0.272 -3.693 1.00 0.00 C ATOM 0 H VAL A 12 1.154 -0.966 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.700 1.324 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 12 1.356 -0.026 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.329 1.934 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.041 2.317 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.381 2.836 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.413 0.192 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.458 0.996 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.977 -0.700 -4.066 1.00 0.00 H new ATOM 153 N CYS A 13 0.762 2.464 -7.691 1.00 0.00 N ATOM 154 CA CYS A 13 1.592 3.358 -8.480 1.00 0.00 C ATOM 155 C CYS A 13 1.906 4.593 -7.634 1.00 0.00 C ATOM 156 O CYS A 13 1.220 5.610 -7.735 1.00 0.00 O ATOM 157 CB CYS A 13 0.923 3.729 -9.806 1.00 0.00 C ATOM 158 SG CYS A 13 1.898 5.021 -10.659 1.00 0.00 S ATOM 0 H CYS A 13 -0.220 2.440 -7.966 1.00 0.00 H new ATOM 0 HA CYS A 13 2.522 2.855 -8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.840 2.846 -10.440 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.090 4.087 -9.624 1.00 0.00 H new ATOM 0 HG CYS A 13 2.118 6.008 -9.843 1.00 0.00 H new ATOM 164 N LYS A 14 2.943 4.465 -6.820 1.00 0.00 N ATOM 165 CA LYS A 14 3.357 5.559 -5.957 1.00 0.00 C ATOM 166 C LYS A 14 3.223 6.880 -6.716 1.00 0.00 C ATOM 167 O LYS A 14 3.299 6.906 -7.944 1.00 0.00 O ATOM 168 CB LYS A 14 4.762 5.306 -5.407 1.00 0.00 C ATOM 169 CG LYS A 14 4.743 4.211 -4.338 1.00 0.00 C ATOM 170 CD LYS A 14 6.147 3.961 -3.784 1.00 0.00 C ATOM 171 CE LYS A 14 7.046 3.316 -4.841 1.00 0.00 C ATOM 172 NZ LYS A 14 8.436 3.207 -4.343 1.00 0.00 N ATOM 0 H LYS A 14 3.509 3.620 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 14 2.706 5.624 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.428 5.015 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.162 6.227 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.075 4.501 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.347 3.289 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.585 4.903 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.087 3.314 -2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.666 2.327 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.026 3.910 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.033 2.767 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.801 4.156 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.452 2.622 -3.484 1.00 0.00 H new ATOM 186 N MET A 15 3.025 7.946 -5.954 1.00 0.00 N ATOM 187 CA MET A 15 2.879 9.268 -6.540 1.00 0.00 C ATOM 188 C MET A 15 3.996 9.547 -7.548 1.00 0.00 C ATOM 189 O MET A 15 3.729 9.948 -8.680 1.00 0.00 O ATOM 190 CB MET A 15 2.915 10.324 -5.433 1.00 0.00 C ATOM 191 CG MET A 15 4.175 10.178 -4.577 1.00 0.00 C ATOM 192 SD MET A 15 3.908 10.906 -2.969 1.00 0.00 S ATOM 193 CE MET A 15 2.964 9.606 -2.193 1.00 0.00 C ATOM 0 H MET A 15 2.962 7.921 -4.936 1.00 0.00 H new ATOM 0 HA MET A 15 1.924 9.310 -7.063 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.884 11.320 -5.875 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.030 10.227 -4.804 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.432 9.124 -4.470 1.00 0.00 H new ATOM 0 HG3 MET A 15 5.018 10.663 -5.070 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.012 9.718 -1.110 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.925 9.667 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.377 8.638 -2.476 1.00 0.00 H new ATOM 203 N ASP A 16 5.223 9.325 -7.100 1.00 0.00 N ATOM 204 CA ASP A 16 6.381 9.548 -7.948 1.00 0.00 C ATOM 205 C ASP A 16 7.418 8.454 -7.685 1.00 0.00 C ATOM 206 O ASP A 16 8.587 8.749 -7.440 1.00 0.00 O ATOM 207 CB ASP A 16 7.032 10.899 -7.648 1.00 0.00 C ATOM 208 CG ASP A 16 7.544 11.066 -6.216 1.00 0.00 C ATOM 209 OD1 ASP A 16 7.321 10.129 -5.420 1.00 0.00 O ATOM 210 OD2 ASP A 16 8.147 12.128 -5.949 1.00 0.00 O ATOM 0 H ASP A 16 5.440 8.993 -6.160 1.00 0.00 H new ATOM 0 HA ASP A 16 6.047 9.532 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.866 11.044 -8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.308 11.688 -7.853 1.00 0.00 H new ATOM 215 N GLY A 17 6.953 7.215 -7.746 1.00 0.00 N ATOM 216 CA GLY A 17 7.826 6.076 -7.517 1.00 0.00 C ATOM 217 C GLY A 17 7.451 4.906 -8.428 1.00 0.00 C ATOM 218 O GLY A 17 6.613 5.050 -9.317 1.00 0.00 O ATOM 0 H GLY A 17 5.983 6.975 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.861 6.365 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.759 5.766 -6.474 1.00 0.00 H new ATOM 222 N GLU A 18 8.089 3.772 -8.175 1.00 0.00 N ATOM 223 CA GLU A 18 7.832 2.578 -8.962 1.00 0.00 C ATOM 224 C GLU A 18 6.673 1.783 -8.356 1.00 0.00 C ATOM 225 O GLU A 18 6.761 1.319 -7.220 1.00 0.00 O ATOM 226 CB GLU A 18 9.090 1.714 -9.074 1.00 0.00 C ATOM 227 CG GLU A 18 9.191 1.070 -10.458 1.00 0.00 C ATOM 228 CD GLU A 18 10.592 1.254 -11.047 1.00 0.00 C ATOM 229 OE1 GLU A 18 11.494 0.507 -10.611 1.00 0.00 O ATOM 230 OE2 GLU A 18 10.728 2.138 -11.920 1.00 0.00 O ATOM 0 H GLU A 18 8.783 3.655 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 18 7.550 2.884 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.973 2.325 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.072 0.938 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.959 0.007 -10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.451 1.513 -11.124 1.00 0.00 H new ATOM 237 N VAL A 19 5.615 1.649 -9.142 1.00 0.00 N ATOM 238 CA VAL A 19 4.440 0.918 -8.697 1.00 0.00 C ATOM 239 C VAL A 19 4.882 -0.341 -7.948 1.00 0.00 C ATOM 240 O VAL A 19 5.800 -1.035 -8.381 1.00 0.00 O ATOM 241 CB VAL A 19 3.530 0.616 -9.889 1.00 0.00 C ATOM 242 CG1 VAL A 19 4.331 0.037 -11.058 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.392 -0.324 -9.486 1.00 0.00 C ATOM 0 H VAL A 19 5.547 2.034 -10.084 1.00 0.00 H new ATOM 0 HA VAL A 19 3.855 1.521 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 19 3.087 1.556 -10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.660 -0.169 -11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.089 0.755 -11.371 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.815 -0.888 -10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.760 -0.522 -10.352 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.808 -1.262 -9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.796 0.142 -8.701 1.00 0.00 H new ATOM 253 N MET A 20 4.207 -0.596 -6.837 1.00 0.00 N ATOM 254 CA MET A 20 4.518 -1.759 -6.023 1.00 0.00 C ATOM 255 C MET A 20 3.331 -2.723 -5.968 1.00 0.00 C ATOM 256 O MET A 20 2.235 -2.340 -5.563 1.00 0.00 O ATOM 257 CB MET A 20 4.877 -1.309 -4.605 1.00 0.00 C ATOM 258 CG MET A 20 6.390 -1.137 -4.451 1.00 0.00 C ATOM 259 SD MET A 20 6.825 -1.079 -2.721 1.00 0.00 S ATOM 260 CE MET A 20 5.365 -0.292 -2.060 1.00 0.00 C ATOM 0 H MET A 20 3.446 -0.017 -6.481 1.00 0.00 H new ATOM 0 HA MET A 20 5.364 -2.279 -6.474 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.376 -0.368 -4.380 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.515 -2.042 -3.884 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.909 -1.963 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.712 -0.221 -4.946 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.584 0.109 -1.071 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.058 0.519 -2.721 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.560 -1.023 -1.985 1.00 0.00 H new ATOM 270 N PRO A 21 3.598 -3.987 -6.392 1.00 0.00 N ATOM 271 CA PRO A 21 2.565 -5.009 -6.394 1.00 0.00 C ATOM 272 C PRO A 21 2.282 -5.507 -4.975 1.00 0.00 C ATOM 273 O PRO A 21 3.102 -6.209 -4.385 1.00 0.00 O ATOM 274 CB PRO A 21 3.092 -6.100 -7.312 1.00 0.00 C ATOM 275 CG PRO A 21 4.590 -5.865 -7.421 1.00 0.00 C ATOM 276 CD PRO A 21 4.885 -4.476 -6.878 1.00 0.00 C ATOM 0 HA PRO A 21 1.605 -4.635 -6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.880 -7.089 -6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.616 -6.050 -8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.137 -6.620 -6.856 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.915 -5.946 -8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.623 -4.513 -6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.289 -3.825 -7.654 1.00 0.00 H new ATOM 284 N VAL A 22 1.120 -5.124 -4.469 1.00 0.00 N ATOM 285 CA VAL A 22 0.719 -5.523 -3.130 1.00 0.00 C ATOM 286 C VAL A 22 -0.298 -6.663 -3.225 1.00 0.00 C ATOM 287 O VAL A 22 -1.100 -6.707 -4.156 1.00 0.00 O ATOM 288 CB VAL A 22 0.189 -4.312 -2.359 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.167 -4.691 -0.921 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.196 -3.160 -2.390 1.00 0.00 C ATOM 0 H VAL A 22 0.443 -4.542 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 22 1.576 -5.898 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.723 -3.973 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.541 -3.813 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.935 -5.464 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.721 -5.067 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.795 -2.312 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.132 -3.483 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.379 -2.864 -3.423 1.00 0.00 H new ATOM 300 N VAL A 23 -0.231 -7.555 -2.248 1.00 0.00 N ATOM 301 CA VAL A 23 -1.136 -8.692 -2.210 1.00 0.00 C ATOM 302 C VAL A 23 -2.055 -8.565 -0.994 1.00 0.00 C ATOM 303 O VAL A 23 -1.641 -8.071 0.054 1.00 0.00 O ATOM 304 CB VAL A 23 -0.338 -9.997 -2.223 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.250 -11.200 -1.977 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.436 -10.154 -3.533 1.00 0.00 C ATOM 0 H VAL A 23 0.435 -7.514 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.770 -8.706 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 23 0.386 -9.954 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.657 -12.115 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.735 -11.097 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.009 -11.247 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.995 -11.090 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.263 -10.164 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.129 -9.320 -3.649 1.00 0.00 H new ATOM 316 N VAL A 24 -3.287 -9.020 -1.173 1.00 0.00 N ATOM 317 CA VAL A 24 -4.268 -8.964 -0.103 1.00 0.00 C ATOM 318 C VAL A 24 -5.258 -10.120 -0.263 1.00 0.00 C ATOM 319 O VAL A 24 -5.196 -10.864 -1.241 1.00 0.00 O ATOM 320 CB VAL A 24 -4.948 -7.593 -0.087 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.026 -6.531 0.516 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.403 -7.191 -1.492 1.00 0.00 C ATOM 0 H VAL A 24 -3.628 -9.429 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.783 -9.083 0.866 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.834 -7.665 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.533 -5.566 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.773 -6.808 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.114 -6.462 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.883 -6.213 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.539 -7.145 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.111 -7.928 -1.870 1.00 0.00 H new ATOM 332 N VAL A 25 -6.148 -10.234 0.711 1.00 0.00 N ATOM 333 CA VAL A 25 -7.150 -11.287 0.690 1.00 0.00 C ATOM 334 C VAL A 25 -8.190 -10.974 -0.387 1.00 0.00 C ATOM 335 O VAL A 25 -8.510 -9.810 -0.627 1.00 0.00 O ATOM 336 CB VAL A 25 -7.762 -11.454 2.082 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.725 -11.978 3.078 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.378 -10.142 2.572 1.00 0.00 C ATOM 0 H VAL A 25 -6.197 -9.615 1.520 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.694 -12.243 0.433 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.561 -12.192 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.186 -12.088 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.354 -12.946 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.895 -11.274 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.806 -10.289 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.607 -9.373 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.161 -9.828 1.882 1.00 0.00 H new ATOM 348 N GLN A 26 -8.690 -12.032 -1.007 1.00 0.00 N ATOM 349 CA GLN A 26 -9.687 -11.885 -2.053 1.00 0.00 C ATOM 350 C GLN A 26 -10.755 -10.875 -1.630 1.00 0.00 C ATOM 351 O GLN A 26 -11.395 -10.251 -2.475 1.00 0.00 O ATOM 352 CB GLN A 26 -10.317 -13.234 -2.404 1.00 0.00 C ATOM 353 CG GLN A 26 -9.868 -13.706 -3.789 1.00 0.00 C ATOM 354 CD GLN A 26 -10.766 -13.126 -4.884 1.00 0.00 C ATOM 355 OE1 GLN A 26 -10.448 -12.137 -5.524 1.00 0.00 O ATOM 356 NE2 GLN A 26 -11.902 -13.794 -5.062 1.00 0.00 N ATOM 0 H GLN A 26 -8.423 -12.995 -0.805 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.193 -11.508 -2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.038 -13.975 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.403 -13.149 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.835 -13.404 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.893 -14.795 -3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.106 -14.615 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.569 -13.486 -5.769 1.00 0.00 H new ATOM 365 N ASN A 27 -10.916 -10.745 -0.321 1.00 0.00 N ATOM 366 CA ASN A 27 -11.895 -9.822 0.226 1.00 0.00 C ATOM 367 C ASN A 27 -11.219 -8.921 1.261 1.00 0.00 C ATOM 368 O ASN A 27 -11.537 -8.985 2.447 1.00 0.00 O ATOM 369 CB ASN A 27 -13.032 -10.572 0.922 1.00 0.00 C ATOM 370 CG ASN A 27 -13.710 -11.553 -0.036 1.00 0.00 C ATOM 371 OD1 ASN A 27 -13.145 -12.555 -0.443 1.00 0.00 O ATOM 372 ND2 ASN A 27 -14.950 -11.209 -0.373 1.00 0.00 N ATOM 0 H ASN A 27 -10.384 -11.264 0.377 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.302 -9.236 -0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.642 -11.112 1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.766 -9.859 1.298 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.488 -11.798 -1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.363 -10.356 0.004 1.00 0.00 H new ATOM 379 N ALA A 28 -10.298 -8.102 0.774 1.00 0.00 N ATOM 380 CA ALA A 28 -9.573 -7.190 1.643 1.00 0.00 C ATOM 381 C ALA A 28 -10.271 -5.828 1.639 1.00 0.00 C ATOM 382 O ALA A 28 -11.262 -5.636 0.937 1.00 0.00 O ATOM 383 CB ALA A 28 -8.116 -7.100 1.187 1.00 0.00 C ATOM 0 H ALA A 28 -10.037 -8.051 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.570 -7.557 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.572 -6.416 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.658 -8.088 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.078 -6.732 0.162 1.00 0.00 H new ATOM 389 N THR A 29 -9.725 -4.917 2.432 1.00 0.00 N ATOM 390 CA THR A 29 -10.282 -3.579 2.529 1.00 0.00 C ATOM 391 C THR A 29 -9.186 -2.529 2.337 1.00 0.00 C ATOM 392 O THR A 29 -8.038 -2.870 2.053 1.00 0.00 O ATOM 393 CB THR A 29 -11.004 -3.464 3.873 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.951 -3.332 4.823 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.707 -4.763 4.273 1.00 0.00 C ATOM 0 H THR A 29 -8.903 -5.080 3.013 1.00 0.00 H new ATOM 0 HA THR A 29 -11.007 -3.395 1.736 1.00 0.00 H new ATOM 0 HB THR A 29 -11.734 -2.656 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.331 -3.250 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.203 -4.627 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.447 -5.024 3.516 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.972 -5.564 4.354 1.00 0.00 H new ATOM 403 N VAL A 30 -9.577 -1.274 2.500 1.00 0.00 N ATOM 404 CA VAL A 30 -8.642 -0.173 2.347 1.00 0.00 C ATOM 405 C VAL A 30 -7.483 -0.354 3.330 1.00 0.00 C ATOM 406 O VAL A 30 -6.335 -0.515 2.920 1.00 0.00 O ATOM 407 CB VAL A 30 -9.371 1.161 2.522 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.394 2.335 2.438 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.496 1.309 1.495 1.00 0.00 C ATOM 0 H VAL A 30 -10.529 -0.995 2.737 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.219 -0.168 1.342 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.820 1.170 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.938 3.271 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.644 2.241 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.903 2.331 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.998 2.265 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.078 1.268 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.214 0.499 1.623 1.00 0.00 H new ATOM 419 N LEU A 31 -7.825 -0.320 4.610 1.00 0.00 N ATOM 420 CA LEU A 31 -6.827 -0.479 5.655 1.00 0.00 C ATOM 421 C LEU A 31 -5.869 -1.609 5.273 1.00 0.00 C ATOM 422 O LEU A 31 -4.662 -1.396 5.171 1.00 0.00 O ATOM 423 CB LEU A 31 -7.502 -0.678 7.014 1.00 0.00 C ATOM 424 CG LEU A 31 -6.652 -1.353 8.092 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.840 -0.321 8.877 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.518 -2.220 9.009 1.00 0.00 C ATOM 0 H LEU A 31 -8.778 -0.185 4.947 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.229 0.427 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.819 0.296 7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.404 -1.272 6.866 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.940 -2.016 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.245 -0.828 9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.179 0.216 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.517 0.385 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.890 -2.689 9.766 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.269 -1.598 9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.012 -2.992 8.419 1.00 0.00 H new ATOM 438 N ASP A 32 -6.444 -2.786 5.072 1.00 0.00 N ATOM 439 CA ASP A 32 -5.656 -3.950 4.703 1.00 0.00 C ATOM 440 C ASP A 32 -4.608 -3.543 3.665 1.00 0.00 C ATOM 441 O ASP A 32 -3.411 -3.728 3.881 1.00 0.00 O ATOM 442 CB ASP A 32 -6.537 -5.037 4.084 1.00 0.00 C ATOM 443 CG ASP A 32 -5.999 -6.463 4.226 1.00 0.00 C ATOM 444 OD1 ASP A 32 -4.911 -6.602 4.826 1.00 0.00 O ATOM 445 OD2 ASP A 32 -6.688 -7.381 3.731 1.00 0.00 O ATOM 0 H ASP A 32 -7.446 -2.958 5.158 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.184 -4.338 5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.524 -4.989 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.668 -4.818 3.024 1.00 0.00 H new ATOM 450 N LEU A 33 -5.096 -2.996 2.561 1.00 0.00 N ATOM 451 CA LEU A 33 -4.216 -2.562 1.490 1.00 0.00 C ATOM 452 C LEU A 33 -2.974 -1.902 2.091 1.00 0.00 C ATOM 453 O LEU A 33 -1.853 -2.349 1.854 1.00 0.00 O ATOM 454 CB LEU A 33 -4.972 -1.667 0.506 1.00 0.00 C ATOM 455 CG LEU A 33 -4.541 -1.765 -0.959 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.259 -0.969 -1.208 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.400 -3.226 -1.392 1.00 0.00 C ATOM 0 H LEU A 33 -6.089 -2.844 2.386 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.873 -3.418 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.033 -1.908 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.861 -0.632 0.828 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.322 -1.319 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.975 -1.056 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.428 0.080 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.459 -1.363 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.093 -3.268 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.650 -3.718 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.357 -3.734 -1.275 1.00 0.00 H new ATOM 469 N LYS A 34 -3.215 -0.849 2.859 1.00 0.00 N ATOM 470 CA LYS A 34 -2.129 -0.123 3.496 1.00 0.00 C ATOM 471 C LYS A 34 -1.241 -1.109 4.258 1.00 0.00 C ATOM 472 O LYS A 34 -0.041 -1.196 4.001 1.00 0.00 O ATOM 473 CB LYS A 34 -2.680 1.008 4.366 1.00 0.00 C ATOM 474 CG LYS A 34 -3.351 2.083 3.509 1.00 0.00 C ATOM 475 CD LYS A 34 -4.874 1.940 3.544 1.00 0.00 C ATOM 476 CE LYS A 34 -5.532 3.219 4.065 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.657 4.218 2.980 1.00 0.00 N ATOM 0 H LYS A 34 -4.146 -0.481 3.054 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.501 0.359 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.399 0.605 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.871 1.453 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.066 3.071 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.998 2.006 2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.245 1.717 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.150 1.099 4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.517 2.989 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.940 3.633 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.196 5.039 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.710 4.526 2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.154 3.792 2.172 1.00 0.00 H new ATOM 491 N LYS A 35 -1.865 -1.827 5.181 1.00 0.00 N ATOM 492 CA LYS A 35 -1.146 -2.803 5.982 1.00 0.00 C ATOM 493 C LYS A 35 -0.190 -3.590 5.083 1.00 0.00 C ATOM 494 O LYS A 35 0.984 -3.753 5.411 1.00 0.00 O ATOM 495 CB LYS A 35 -2.125 -3.684 6.759 1.00 0.00 C ATOM 496 CG LYS A 35 -2.934 -2.856 7.759 1.00 0.00 C ATOM 497 CD LYS A 35 -3.674 -3.759 8.748 1.00 0.00 C ATOM 498 CE LYS A 35 -3.563 -3.216 10.174 1.00 0.00 C ATOM 499 NZ LYS A 35 -2.369 -3.772 10.849 1.00 0.00 N ATOM 0 H LYS A 35 -2.860 -1.752 5.392 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.537 -2.303 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.801 -4.183 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.577 -4.464 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.269 -2.184 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.650 -2.232 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.724 -3.833 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.261 -4.767 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.502 -2.128 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.460 -3.473 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.309 -3.393 11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.443 -4.809 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.515 -3.505 10.319 1.00 0.00 H new ATOM 513 N ALA A 36 -0.729 -4.056 3.966 1.00 0.00 N ATOM 514 CA ALA A 36 0.061 -4.822 3.017 1.00 0.00 C ATOM 515 C ALA A 36 1.255 -3.982 2.559 1.00 0.00 C ATOM 516 O ALA A 36 2.402 -4.320 2.846 1.00 0.00 O ATOM 517 CB ALA A 36 -0.826 -5.260 1.850 1.00 0.00 C ATOM 0 H ALA A 36 -1.703 -3.918 3.697 1.00 0.00 H new ATOM 0 HA ALA A 36 0.453 -5.725 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.233 -5.835 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.642 -5.878 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.236 -4.380 1.354 1.00 0.00 H new ATOM 523 N ILE A 37 0.944 -2.905 1.854 1.00 0.00 N ATOM 524 CA ILE A 37 1.976 -2.014 1.353 1.00 0.00 C ATOM 525 C ILE A 37 3.069 -1.859 2.413 1.00 0.00 C ATOM 526 O ILE A 37 4.249 -1.753 2.083 1.00 0.00 O ATOM 527 CB ILE A 37 1.366 -0.686 0.901 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.410 -0.894 -0.276 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.456 0.338 0.580 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.493 0.326 -0.471 1.00 0.00 C ATOM 0 H ILE A 37 -0.009 -2.629 1.618 1.00 0.00 H new ATOM 0 HA ILE A 37 2.448 -2.439 0.467 1.00 0.00 H new ATOM 0 HB ILE A 37 0.779 -0.282 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.982 -1.077 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.201 -1.779 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.995 1.273 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.061 0.517 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.090 -0.045 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.162 0.152 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.081 0.491 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.121 1.205 -0.670 1.00 0.00 H new ATOM 542 N GLN A 38 2.636 -1.852 3.665 1.00 0.00 N ATOM 543 CA GLN A 38 3.563 -1.712 4.776 1.00 0.00 C ATOM 544 C GLN A 38 4.305 -3.028 5.017 1.00 0.00 C ATOM 545 O GLN A 38 5.530 -3.045 5.118 1.00 0.00 O ATOM 546 CB GLN A 38 2.837 -1.252 6.041 1.00 0.00 C ATOM 547 CG GLN A 38 3.049 0.244 6.282 1.00 0.00 C ATOM 548 CD GLN A 38 2.540 0.654 7.666 1.00 0.00 C ATOM 549 OE1 GLN A 38 1.719 1.544 7.815 1.00 0.00 O ATOM 550 NE2 GLN A 38 3.071 -0.043 8.666 1.00 0.00 N ATOM 0 H GLN A 38 1.656 -1.941 3.935 1.00 0.00 H new ATOM 0 HA GLN A 38 4.295 -0.947 4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.771 -1.462 5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.201 -1.817 6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.109 0.483 6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.528 0.817 5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.754 -0.775 8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.796 0.155 9.628 1.00 0.00 H new ATOM 559 N ARG A 39 3.530 -4.100 5.103 1.00 0.00 N ATOM 560 CA ARG A 39 4.098 -5.418 5.331 1.00 0.00 C ATOM 561 C ARG A 39 4.879 -5.879 4.099 1.00 0.00 C ATOM 562 O ARG A 39 5.542 -6.915 4.131 1.00 0.00 O ATOM 563 CB ARG A 39 3.006 -6.441 5.647 1.00 0.00 C ATOM 564 CG ARG A 39 2.870 -6.650 7.157 1.00 0.00 C ATOM 565 CD ARG A 39 2.845 -8.140 7.504 1.00 0.00 C ATOM 566 NE ARG A 39 2.618 -8.317 8.956 1.00 0.00 N ATOM 567 CZ ARG A 39 2.575 -9.508 9.570 1.00 0.00 C ATOM 568 NH1 ARG A 39 2.743 -10.633 8.862 1.00 0.00 N ATOM 569 NH2 ARG A 39 2.364 -9.573 10.891 1.00 0.00 N ATOM 0 H ARG A 39 2.514 -4.082 5.019 1.00 0.00 H new ATOM 0 HA ARG A 39 4.770 -5.346 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.055 -6.102 5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.241 -7.390 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.701 -6.167 7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.956 -6.175 7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.057 -8.640 6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.788 -8.605 7.215 1.00 0.00 H new ATOM 0 HE ARG A 39 2.486 -7.481 9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.904 -10.583 7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.710 -11.539 9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.236 -8.716 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.331 -10.479 11.358 1.00 0.00 H new ATOM 583 N TYR A 40 4.774 -5.088 3.041 1.00 0.00 N ATOM 584 CA TYR A 40 5.462 -5.403 1.800 1.00 0.00 C ATOM 585 C TYR A 40 6.913 -4.917 1.840 1.00 0.00 C ATOM 586 O TYR A 40 7.825 -5.645 1.451 1.00 0.00 O ATOM 587 CB TYR A 40 4.714 -4.648 0.700 1.00 0.00 C ATOM 588 CG TYR A 40 5.283 -4.867 -0.703 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.279 -4.040 -1.181 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.801 -5.893 -1.491 1.00 0.00 C ATOM 591 CE1 TYR A 40 6.815 -4.247 -2.501 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.337 -6.099 -2.811 1.00 0.00 C ATOM 593 CZ TYR A 40 6.317 -5.266 -3.251 1.00 0.00 C ATOM 594 OH TYR A 40 6.824 -5.461 -4.499 1.00 0.00 O ATOM 0 H TYR A 40 4.223 -4.230 3.017 1.00 0.00 H new ATOM 0 HA TYR A 40 5.477 -6.480 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.668 -4.956 0.709 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.734 -3.582 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.656 -3.237 -0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.022 -6.541 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.595 -3.607 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.969 -6.898 -3.438 1.00 0.00 H new ATOM 0 HH TYR A 40 6.375 -6.224 -4.919 1.00 0.00 H new ATOM 604 N VAL A 41 7.080 -3.691 2.313 1.00 0.00 N ATOM 605 CA VAL A 41 8.404 -3.100 2.408 1.00 0.00 C ATOM 606 C VAL A 41 9.037 -3.490 3.745 1.00 0.00 C ATOM 607 O VAL A 41 10.214 -3.845 3.798 1.00 0.00 O ATOM 608 CB VAL A 41 8.317 -1.585 2.207 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.689 -0.930 2.373 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.709 -1.247 0.844 1.00 0.00 C ATOM 0 H VAL A 41 6.321 -3.091 2.635 1.00 0.00 H new ATOM 0 HA VAL A 41 9.050 -3.483 1.618 1.00 0.00 H new ATOM 0 HB VAL A 41 7.659 -1.182 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.599 0.146 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.068 -1.128 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.380 -1.341 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.658 -0.165 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.330 -1.669 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.705 -1.666 0.779 1.00 0.00 H new ATOM 620 N GLN A 42 8.229 -3.411 4.792 1.00 0.00 N ATOM 621 CA GLN A 42 8.696 -3.751 6.125 1.00 0.00 C ATOM 622 C GLN A 42 9.279 -5.165 6.138 1.00 0.00 C ATOM 623 O GLN A 42 10.483 -5.343 6.320 1.00 0.00 O ATOM 624 CB GLN A 42 7.570 -3.612 7.152 1.00 0.00 C ATOM 625 CG GLN A 42 8.129 -3.284 8.538 1.00 0.00 C ATOM 626 CD GLN A 42 7.690 -4.327 9.567 1.00 0.00 C ATOM 627 OE1 GLN A 42 6.513 -4.544 9.807 1.00 0.00 O ATOM 628 NE2 GLN A 42 8.698 -4.960 10.161 1.00 0.00 N ATOM 0 H GLN A 42 7.254 -3.116 4.744 1.00 0.00 H new ATOM 0 HA GLN A 42 9.485 -3.052 6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.882 -2.827 6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.997 -4.538 7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.217 -3.246 8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.787 -2.296 8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.661 -4.731 9.914 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.508 -5.675 10.863 1.00 0.00 H new ATOM 637 N LEU A 43 8.399 -6.136 5.943 1.00 0.00 N ATOM 638 CA LEU A 43 8.811 -7.529 5.931 1.00 0.00 C ATOM 639 C LEU A 43 10.027 -7.688 5.016 1.00 0.00 C ATOM 640 O LEU A 43 10.977 -8.391 5.357 1.00 0.00 O ATOM 641 CB LEU A 43 7.635 -8.433 5.553 1.00 0.00 C ATOM 642 CG LEU A 43 7.607 -8.927 4.106 1.00 0.00 C ATOM 643 CD1 LEU A 43 8.739 -9.922 3.844 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.238 -9.510 3.752 1.00 0.00 C ATOM 0 H LEU A 43 7.402 -5.985 5.792 1.00 0.00 H new ATOM 0 HA LEU A 43 9.118 -7.844 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.643 -9.301 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.709 -7.892 5.749 1.00 0.00 H new ATOM 0 HG LEU A 43 7.772 -8.072 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.696 -10.257 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.698 -9.439 4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.630 -10.780 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.245 -9.854 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.018 -10.349 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.473 -8.743 3.874 1.00 0.00 H new ATOM 656 N LYS A 44 9.958 -7.023 3.872 1.00 0.00 N ATOM 657 CA LYS A 44 11.042 -7.082 2.906 1.00 0.00 C ATOM 658 C LYS A 44 12.368 -6.801 3.615 1.00 0.00 C ATOM 659 O LYS A 44 13.181 -7.705 3.800 1.00 0.00 O ATOM 660 CB LYS A 44 10.762 -6.144 1.730 1.00 0.00 C ATOM 661 CG LYS A 44 10.375 -6.935 0.478 1.00 0.00 C ATOM 662 CD LYS A 44 10.604 -6.105 -0.787 1.00 0.00 C ATOM 663 CE LYS A 44 11.337 -6.923 -1.853 1.00 0.00 C ATOM 664 NZ LYS A 44 11.168 -6.305 -3.187 1.00 0.00 N ATOM 0 H LYS A 44 9.169 -6.441 3.592 1.00 0.00 H new ATOM 0 HA LYS A 44 11.116 -8.081 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.959 -5.456 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.645 -5.539 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.962 -7.852 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.327 -7.230 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.647 -5.763 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.185 -5.215 -0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.397 -6.986 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.952 -7.943 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.671 -6.872 -3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.157 -6.267 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.557 -5.341 -3.175 1.00 0.00 H new ATOM 678 N GLN A 45 12.544 -5.543 3.993 1.00 0.00 N ATOM 679 CA GLN A 45 13.758 -5.131 4.678 1.00 0.00 C ATOM 680 C GLN A 45 14.077 -6.098 5.820 1.00 0.00 C ATOM 681 O GLN A 45 15.187 -6.621 5.902 1.00 0.00 O ATOM 682 CB GLN A 45 13.636 -3.696 5.193 1.00 0.00 C ATOM 683 CG GLN A 45 13.550 -2.702 4.033 1.00 0.00 C ATOM 684 CD GLN A 45 12.664 -1.509 4.397 1.00 0.00 C ATOM 685 OE1 GLN A 45 11.882 -1.546 5.332 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.831 -0.450 3.609 1.00 0.00 N ATOM 0 H GLN A 45 11.867 -4.796 3.838 1.00 0.00 H new ATOM 0 HA GLN A 45 14.582 -5.158 3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.749 -3.605 5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.496 -3.456 5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.549 -2.352 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.149 -3.201 3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.503 -0.485 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.287 0.397 3.771 1.00 0.00 H new ATOM 695 N GLU A 46 13.084 -6.306 6.672 1.00 0.00 N ATOM 696 CA GLU A 46 13.246 -7.201 7.805 1.00 0.00 C ATOM 697 C GLU A 46 13.957 -8.484 7.371 1.00 0.00 C ATOM 698 O GLU A 46 15.015 -8.821 7.900 1.00 0.00 O ATOM 699 CB GLU A 46 11.895 -7.515 8.452 1.00 0.00 C ATOM 700 CG GLU A 46 11.911 -7.177 9.945 1.00 0.00 C ATOM 701 CD GLU A 46 12.069 -8.442 10.791 1.00 0.00 C ATOM 702 OE1 GLU A 46 11.449 -9.459 10.413 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.806 -8.363 11.798 1.00 0.00 O ATOM 0 H GLU A 46 12.165 -5.870 6.600 1.00 0.00 H new ATOM 0 HA GLU A 46 13.863 -6.702 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.109 -6.947 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.659 -8.571 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.729 -6.489 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.987 -6.667 10.216 1.00 0.00 H new ATOM 710 N ARG A 47 13.347 -9.166 6.412 1.00 0.00 N ATOM 711 CA ARG A 47 13.909 -10.404 5.901 1.00 0.00 C ATOM 712 C ARG A 47 15.326 -10.168 5.375 1.00 0.00 C ATOM 713 O ARG A 47 16.133 -11.094 5.318 1.00 0.00 O ATOM 714 CB ARG A 47 13.045 -10.978 4.776 1.00 0.00 C ATOM 715 CG ARG A 47 11.641 -11.318 5.281 1.00 0.00 C ATOM 716 CD ARG A 47 11.593 -12.738 5.851 1.00 0.00 C ATOM 717 NE ARG A 47 10.639 -12.798 6.980 1.00 0.00 N ATOM 718 CZ ARG A 47 10.552 -13.825 7.836 1.00 0.00 C ATOM 719 NH1 ARG A 47 11.360 -14.885 7.696 1.00 0.00 N ATOM 720 NH2 ARG A 47 9.656 -13.794 8.832 1.00 0.00 N ATOM 0 H ARG A 47 12.469 -8.884 5.976 1.00 0.00 H new ATOM 0 HA ARG A 47 13.938 -11.118 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.977 -10.257 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.517 -11.874 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.344 -10.604 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.925 -11.225 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.294 -13.441 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.586 -13.038 6.187 1.00 0.00 H new ATOM 0 HE ARG A 47 10.008 -12.008 7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.042 -14.910 6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.293 -15.667 8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.040 -12.988 8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.590 -14.576 9.483 1.00 0.00 H new ATOM 734 N GLU A 48 15.586 -8.922 5.006 1.00 0.00 N ATOM 735 CA GLU A 48 16.892 -8.552 4.488 1.00 0.00 C ATOM 736 C GLU A 48 17.719 -7.865 5.576 1.00 0.00 C ATOM 737 O GLU A 48 18.731 -7.229 5.283 1.00 0.00 O ATOM 738 CB GLU A 48 16.758 -7.657 3.254 1.00 0.00 C ATOM 739 CG GLU A 48 16.698 -8.494 1.974 1.00 0.00 C ATOM 740 CD GLU A 48 16.811 -7.606 0.733 1.00 0.00 C ATOM 741 OE1 GLU A 48 17.762 -6.796 0.699 1.00 0.00 O ATOM 742 OE2 GLU A 48 15.943 -7.757 -0.154 1.00 0.00 O ATOM 0 H GLU A 48 14.914 -8.156 5.056 1.00 0.00 H new ATOM 0 HA GLU A 48 17.412 -9.460 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.857 -7.049 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.603 -6.970 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.505 -9.227 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.762 -9.051 1.943 1.00 0.00 H new ATOM 749 N GLY A 49 17.259 -8.017 6.809 1.00 0.00 N ATOM 750 CA GLY A 49 17.944 -7.419 7.942 1.00 0.00 C ATOM 751 C GLY A 49 17.124 -6.272 8.537 1.00 0.00 C ATOM 752 O GLY A 49 16.836 -6.265 9.733 1.00 0.00 O ATOM 0 H GLY A 49 16.420 -8.546 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.122 -8.177 8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.919 -7.048 7.627 1.00 0.00 H new ATOM 756 N GLY A 50 16.771 -5.331 7.674 1.00 0.00 N ATOM 757 CA GLY A 50 15.990 -4.182 8.099 1.00 0.00 C ATOM 758 C GLY A 50 16.612 -2.878 7.594 1.00 0.00 C ATOM 759 O GLY A 50 17.592 -2.901 6.851 1.00 0.00 O ATOM 0 H GLY A 50 17.011 -5.341 6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.971 -4.272 7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.928 -4.162 9.187 1.00 0.00 H new ATOM 763 N VAL A 51 16.018 -1.773 8.018 1.00 0.00 N ATOM 764 CA VAL A 51 16.502 -0.462 7.619 1.00 0.00 C ATOM 765 C VAL A 51 15.758 0.615 8.411 1.00 0.00 C ATOM 766 O VAL A 51 14.916 0.302 9.251 1.00 0.00 O ATOM 767 CB VAL A 51 16.364 -0.293 6.104 1.00 0.00 C ATOM 768 CG1 VAL A 51 14.999 0.296 5.741 1.00 0.00 C ATOM 769 CG2 VAL A 51 17.499 0.566 5.543 1.00 0.00 C ATOM 0 H VAL A 51 15.205 -1.758 8.634 1.00 0.00 H new ATOM 0 HA VAL A 51 17.562 -0.360 7.849 1.00 0.00 H new ATOM 0 HB VAL A 51 16.435 -1.281 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.926 0.406 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.210 -0.370 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 51 14.887 1.272 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.377 0.671 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.474 1.551 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.456 0.089 5.756 1.00 0.00 H new ATOM 779 N GLN A 52 16.096 1.861 8.116 1.00 0.00 N ATOM 780 CA GLN A 52 15.471 2.986 8.790 1.00 0.00 C ATOM 781 C GLN A 52 13.948 2.852 8.746 1.00 0.00 C ATOM 782 O GLN A 52 13.399 2.282 7.804 1.00 0.00 O ATOM 783 CB GLN A 52 15.923 4.313 8.176 1.00 0.00 C ATOM 784 CG GLN A 52 17.449 4.407 8.135 1.00 0.00 C ATOM 785 CD GLN A 52 17.932 4.899 6.769 1.00 0.00 C ATOM 786 OE1 GLN A 52 17.329 5.753 6.140 1.00 0.00 O ATOM 787 NE2 GLN A 52 19.050 4.315 6.348 1.00 0.00 N ATOM 0 H GLN A 52 16.795 2.117 7.419 1.00 0.00 H new ATOM 0 HA GLN A 52 15.786 2.980 9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.522 4.406 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.520 5.143 8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 52 17.796 5.086 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 52 17.883 3.430 8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 52 19.504 3.607 6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.454 4.575 5.448 1.00 0.00 H new ATOM 796 N HIS A 53 13.308 3.386 9.775 1.00 0.00 N ATOM 797 CA HIS A 53 11.859 3.333 9.866 1.00 0.00 C ATOM 798 C HIS A 53 11.258 4.584 9.222 1.00 0.00 C ATOM 799 O HIS A 53 11.871 5.651 9.240 1.00 0.00 O ATOM 800 CB HIS A 53 11.412 3.140 11.316 1.00 0.00 C ATOM 801 CG HIS A 53 11.026 4.421 12.016 1.00 0.00 C ATOM 802 ND1 HIS A 53 11.873 5.083 12.888 1.00 0.00 N ATOM 803 CD2 HIS A 53 9.878 5.155 11.963 1.00 0.00 C ATOM 804 CE1 HIS A 53 11.252 6.165 13.334 1.00 0.00 C ATOM 805 NE2 HIS A 53 10.015 6.208 12.760 1.00 0.00 N ATOM 0 H HIS A 53 13.767 3.858 10.554 1.00 0.00 H new ATOM 0 HA HIS A 53 11.488 2.469 9.315 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.563 2.457 11.336 1.00 0.00 H new ATOM 0 HB3 HIS A 53 12.218 2.662 11.873 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.005 4.920 11.373 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.654 6.886 14.030 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.312 6.930 12.917 1.00 0.00 H new ATOM 813 N ILE A 54 10.067 4.412 8.668 1.00 0.00 N ATOM 814 CA ILE A 54 9.377 5.514 8.020 1.00 0.00 C ATOM 815 C ILE A 54 8.075 5.806 8.768 1.00 0.00 C ATOM 816 O ILE A 54 7.437 4.893 9.291 1.00 0.00 O ATOM 817 CB ILE A 54 9.178 5.220 6.531 1.00 0.00 C ATOM 818 CG1 ILE A 54 10.523 5.118 5.808 1.00 0.00 C ATOM 819 CG2 ILE A 54 8.257 6.258 5.886 1.00 0.00 C ATOM 820 CD1 ILE A 54 10.425 4.188 4.598 1.00 0.00 C ATOM 0 H ILE A 54 9.562 3.526 8.655 1.00 0.00 H new ATOM 0 HA ILE A 54 9.981 6.420 8.065 1.00 0.00 H new ATOM 0 HB ILE A 54 8.687 4.251 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.842 6.109 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.283 4.747 6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.132 6.026 4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.285 6.238 6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.697 7.250 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.394 4.133 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.129 3.192 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.682 4.575 3.901 1.00 0.00 H new ATOM 832 N SER A 55 7.718 7.082 8.796 1.00 0.00 N ATOM 833 CA SER A 55 6.504 7.505 9.471 1.00 0.00 C ATOM 834 C SER A 55 5.280 7.116 8.640 1.00 0.00 C ATOM 835 O SER A 55 4.606 7.979 8.079 1.00 0.00 O ATOM 836 CB SER A 55 6.513 9.013 9.728 1.00 0.00 C ATOM 837 OG SER A 55 6.737 9.319 11.102 1.00 0.00 O ATOM 0 H SER A 55 8.249 7.837 8.362 1.00 0.00 H new ATOM 0 HA SER A 55 6.456 7.000 10.436 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.289 9.480 9.121 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.561 9.440 9.412 1.00 0.00 H new ATOM 0 HG SER A 55 6.737 10.291 11.225 1.00 0.00 H new ATOM 843 N TRP A 56 5.028 5.816 8.588 1.00 0.00 N ATOM 844 CA TRP A 56 3.897 5.302 7.835 1.00 0.00 C ATOM 845 C TRP A 56 2.642 6.043 8.301 1.00 0.00 C ATOM 846 O TRP A 56 1.883 6.560 7.483 1.00 0.00 O ATOM 847 CB TRP A 56 3.784 3.784 7.983 1.00 0.00 C ATOM 848 CG TRP A 56 4.818 3.000 7.171 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.793 2.204 7.628 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.939 2.971 5.733 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.532 1.665 6.594 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.996 2.147 5.405 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.181 3.620 4.743 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.391 1.895 4.086 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.589 3.358 3.429 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.651 2.530 3.083 1.00 0.00 C ATOM 0 H TRP A 56 5.588 5.103 9.055 1.00 0.00 H new ATOM 0 HA TRP A 56 4.031 5.481 6.768 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.891 3.523 9.036 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.785 3.473 7.677 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.978 2.008 8.674 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.325 1.030 6.685 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.350 4.269 4.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.222 1.245 3.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.040 3.832 2.629 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.904 2.378 2.044 1.00 0.00 H new ATOM 867 N SER A 57 2.464 6.072 9.614 1.00 0.00 N ATOM 868 CA SER A 57 1.315 6.741 10.198 1.00 0.00 C ATOM 869 C SER A 57 1.027 8.041 9.445 1.00 0.00 C ATOM 870 O SER A 57 -0.069 8.230 8.921 1.00 0.00 O ATOM 871 CB SER A 57 1.541 7.028 11.684 1.00 0.00 C ATOM 872 OG SER A 57 0.611 7.980 12.192 1.00 0.00 O ATOM 0 H SER A 57 3.097 5.643 10.289 1.00 0.00 H new ATOM 0 HA SER A 57 0.453 6.079 10.110 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.455 6.100 12.249 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.556 7.398 11.831 1.00 0.00 H new ATOM 0 HG SER A 57 0.788 8.134 13.143 1.00 0.00 H new ATOM 878 N TYR A 58 2.032 8.905 9.415 1.00 0.00 N ATOM 879 CA TYR A 58 1.900 10.182 8.735 1.00 0.00 C ATOM 880 C TYR A 58 1.617 9.983 7.245 1.00 0.00 C ATOM 881 O TYR A 58 0.702 10.596 6.696 1.00 0.00 O ATOM 882 CB TYR A 58 3.249 10.886 8.896 1.00 0.00 C ATOM 883 CG TYR A 58 3.273 12.316 8.352 1.00 0.00 C ATOM 884 CD1 TYR A 58 3.364 12.536 6.993 1.00 0.00 C ATOM 885 CD2 TYR A 58 3.204 13.386 9.221 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.387 13.882 6.481 1.00 0.00 C ATOM 887 CE2 TYR A 58 3.227 14.732 8.709 1.00 0.00 C ATOM 888 CZ TYR A 58 3.318 14.913 7.364 1.00 0.00 C ATOM 889 OH TYR A 58 3.339 16.184 6.881 1.00 0.00 O ATOM 0 H TYR A 58 2.940 8.745 9.851 1.00 0.00 H new ATOM 0 HA TYR A 58 1.075 10.757 9.155 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.513 10.906 9.953 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.015 10.302 8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.418 11.699 6.313 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.133 13.214 10.285 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.457 14.068 5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.173 15.578 9.378 1.00 0.00 H new ATOM 0 HH TYR A 58 3.282 16.818 7.626 1.00 0.00 H new ATOM 899 N VAL A 59 2.418 9.124 6.632 1.00 0.00 N ATOM 900 CA VAL A 59 2.264 8.836 5.216 1.00 0.00 C ATOM 901 C VAL A 59 0.809 8.458 4.932 1.00 0.00 C ATOM 902 O VAL A 59 0.248 8.858 3.913 1.00 0.00 O ATOM 903 CB VAL A 59 3.257 7.752 4.792 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.948 7.248 3.381 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.697 8.259 4.890 1.00 0.00 C ATOM 0 H VAL A 59 3.176 8.618 7.090 1.00 0.00 H new ATOM 0 HA VAL A 59 2.493 9.719 4.619 1.00 0.00 H new ATOM 0 HB VAL A 59 3.150 6.912 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.668 6.478 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.942 6.829 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.013 8.077 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.383 7.469 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.824 9.123 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.912 8.547 5.919 1.00 0.00 H new ATOM 915 N TRP A 60 0.239 7.693 5.851 1.00 0.00 N ATOM 916 CA TRP A 60 -1.140 7.257 5.712 1.00 0.00 C ATOM 917 C TRP A 60 -2.046 8.397 6.179 1.00 0.00 C ATOM 918 O TRP A 60 -3.166 8.545 5.692 1.00 0.00 O ATOM 919 CB TRP A 60 -1.381 5.951 6.472 1.00 0.00 C ATOM 920 CG TRP A 60 -0.499 4.790 6.010 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.410 4.111 6.724 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.477 4.195 4.695 1.00 0.00 C ATOM 923 NE1 TRP A 60 1.013 3.126 5.968 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.456 3.179 4.695 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.222 4.506 3.544 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.731 2.391 3.571 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.935 3.710 2.429 1.00 0.00 C ATOM 928 CH2 TRP A 60 0.001 2.683 2.413 1.00 0.00 C ATOM 0 H TRP A 60 0.707 7.364 6.695 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.371 7.034 4.670 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.209 6.124 7.534 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.427 5.666 6.361 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.641 4.310 7.760 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.734 2.478 6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.958 5.297 3.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.467 1.601 3.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.479 3.908 1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.165 2.112 1.511 1.00 0.00 H new ATOM 939 N ARG A 61 -1.527 9.175 7.119 1.00 0.00 N ATOM 940 CA ARG A 61 -2.276 10.298 7.658 1.00 0.00 C ATOM 941 C ARG A 61 -1.991 11.564 6.847 1.00 0.00 C ATOM 942 O ARG A 61 -1.914 12.658 7.404 1.00 0.00 O ATOM 943 CB ARG A 61 -1.915 10.547 9.123 1.00 0.00 C ATOM 944 CG ARG A 61 -3.074 11.214 9.867 1.00 0.00 C ATOM 945 CD ARG A 61 -2.595 12.448 10.635 1.00 0.00 C ATOM 946 NE ARG A 61 -3.125 12.423 12.016 1.00 0.00 N ATOM 947 CZ ARG A 61 -2.724 13.252 12.990 1.00 0.00 C ATOM 948 NH1 ARG A 61 -1.787 14.176 12.739 1.00 0.00 N ATOM 949 NH2 ARG A 61 -3.261 13.156 14.214 1.00 0.00 N ATOM 0 H ARG A 61 -0.598 9.050 7.520 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.336 10.052 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.664 9.602 9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.029 11.179 9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.849 11.502 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.524 10.502 10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.505 12.473 10.655 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.925 13.354 10.126 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.840 11.732 12.241 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.379 14.249 11.807 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.482 14.807 13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.975 12.452 14.404 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.956 13.787 14.956 1.00 0.00 H new ATOM 963 N THR A 62 -1.842 11.373 5.544 1.00 0.00 N ATOM 964 CA THR A 62 -1.567 12.486 4.652 1.00 0.00 C ATOM 965 C THR A 62 -1.890 12.102 3.206 1.00 0.00 C ATOM 966 O THR A 62 -2.508 12.877 2.477 1.00 0.00 O ATOM 967 CB THR A 62 -0.111 12.908 4.857 1.00 0.00 C ATOM 968 OG1 THR A 62 -0.134 13.653 6.072 1.00 0.00 O ATOM 969 CG2 THR A 62 0.359 13.919 3.809 1.00 0.00 C ATOM 0 H THR A 62 -1.907 10.464 5.085 1.00 0.00 H new ATOM 0 HA THR A 62 -2.203 13.341 4.879 1.00 0.00 H new ATOM 0 HB THR A 62 0.530 12.027 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.031 13.613 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.399 14.185 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.274 13.479 2.815 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.260 14.814 3.864 1.00 0.00 H new ATOM 977 N TYR A 63 -1.457 10.906 2.834 1.00 0.00 N ATOM 978 CA TYR A 63 -1.692 10.410 1.489 1.00 0.00 C ATOM 979 C TYR A 63 -2.698 9.257 1.498 1.00 0.00 C ATOM 980 O TYR A 63 -2.673 8.414 2.393 1.00 0.00 O ATOM 981 CB TYR A 63 -0.343 9.890 0.989 1.00 0.00 C ATOM 982 CG TYR A 63 0.681 10.990 0.702 1.00 0.00 C ATOM 983 CD1 TYR A 63 1.496 11.456 1.713 1.00 0.00 C ATOM 984 CD2 TYR A 63 0.788 11.517 -0.569 1.00 0.00 C ATOM 985 CE1 TYR A 63 2.459 12.492 1.442 1.00 0.00 C ATOM 986 CE2 TYR A 63 1.752 12.553 -0.840 1.00 0.00 C ATOM 987 CZ TYR A 63 2.539 12.989 0.179 1.00 0.00 C ATOM 988 OH TYR A 63 3.449 13.967 -0.076 1.00 0.00 O ATOM 0 H TYR A 63 -0.945 10.266 3.441 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.097 11.199 0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.070 9.208 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.503 9.311 0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.412 11.044 2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.149 11.153 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.103 12.866 2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.847 12.974 -1.830 1.00 0.00 H new ATOM 0 HH TYR A 63 3.396 14.226 -1.020 1.00 0.00 H new ATOM 998 N HIS A 64 -3.559 9.258 0.491 1.00 0.00 N ATOM 999 CA HIS A 64 -4.572 8.223 0.371 1.00 0.00 C ATOM 1000 C HIS A 64 -4.329 7.412 -0.903 1.00 0.00 C ATOM 1001 O HIS A 64 -3.597 7.848 -1.790 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.976 8.827 0.431 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.272 9.570 1.712 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.586 8.927 2.896 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.296 10.907 1.982 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.789 9.845 3.830 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.610 11.071 3.261 1.00 0.00 N ATOM 0 H HIS A 64 -3.576 9.959 -0.250 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.498 7.538 1.216 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.103 9.509 -0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.709 8.029 0.308 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.650 7.918 3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.094 11.698 1.275 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.050 9.655 4.861 1.00 0.00 H new ATOM 1015 N LEU A 65 -4.957 6.247 -0.953 1.00 0.00 N ATOM 1016 CA LEU A 65 -4.818 5.371 -2.104 1.00 0.00 C ATOM 1017 C LEU A 65 -5.965 5.635 -3.082 1.00 0.00 C ATOM 1018 O LEU A 65 -7.134 5.512 -2.722 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.715 3.911 -1.658 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.575 3.584 -0.692 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -3.776 2.209 -0.051 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.217 3.698 -1.388 1.00 0.00 C ATOM 0 H LEU A 65 -5.563 5.889 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.890 5.584 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.656 3.628 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.603 3.288 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.588 4.319 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.952 2.002 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.715 2.199 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.804 1.446 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.424 3.460 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.177 3.000 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.081 4.715 -1.757 1.00 0.00 H new ATOM 1034 N THR A 66 -5.589 5.995 -4.301 1.00 0.00 N ATOM 1035 CA THR A 66 -6.572 6.278 -5.334 1.00 0.00 C ATOM 1036 C THR A 66 -6.568 5.172 -6.391 1.00 0.00 C ATOM 1037 O THR A 66 -5.600 4.422 -6.506 1.00 0.00 O ATOM 1038 CB THR A 66 -6.271 7.665 -5.905 1.00 0.00 C ATOM 1039 OG1 THR A 66 -6.850 7.637 -7.207 1.00 0.00 O ATOM 1040 CG2 THR A 66 -4.779 7.880 -6.165 1.00 0.00 C ATOM 0 H THR A 66 -4.618 6.097 -4.596 1.00 0.00 H new ATOM 0 HA THR A 66 -7.583 6.291 -4.926 1.00 0.00 H new ATOM 0 HB THR A 66 -6.633 8.428 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.703 8.499 -7.649 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.621 8.880 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.228 7.775 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.424 7.138 -6.881 1.00 0.00 H new ATOM 1048 N SER A 67 -7.662 5.105 -7.135 1.00 0.00 N ATOM 1049 CA SER A 67 -7.798 4.103 -8.179 1.00 0.00 C ATOM 1050 C SER A 67 -8.374 4.741 -9.444 1.00 0.00 C ATOM 1051 O SER A 67 -7.628 5.184 -10.316 1.00 0.00 O ATOM 1052 CB SER A 67 -8.683 2.944 -7.718 1.00 0.00 C ATOM 1053 OG SER A 67 -9.246 2.233 -8.816 1.00 0.00 O ATOM 0 H SER A 67 -8.463 5.729 -7.036 1.00 0.00 H new ATOM 0 HA SER A 67 -6.809 3.703 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.095 2.260 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.484 3.328 -7.086 1.00 0.00 H new ATOM 0 HG SER A 67 -9.803 1.500 -8.480 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.697 4.767 -9.506 1.00 0.00 N ATOM 1060 CA ALA A 68 -10.382 5.342 -10.650 1.00 0.00 C ATOM 1061 C ALA A 68 -10.700 6.811 -10.364 1.00 0.00 C ATOM 1062 O ALA A 68 -9.933 7.699 -10.734 1.00 0.00 O ATOM 1063 CB ALA A 68 -11.638 4.524 -10.959 1.00 0.00 C ATOM 0 H ALA A 68 -10.313 4.399 -8.781 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.745 5.308 -11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.152 4.956 -11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.356 3.496 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.302 4.537 -10.095 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.831 7.022 -9.706 1.00 0.00 N ATOM 1070 CA GLY A 69 -12.259 8.368 -9.365 1.00 0.00 C ATOM 1071 C GLY A 69 -12.741 8.439 -7.915 1.00 0.00 C ATOM 1072 O GLY A 69 -13.533 9.311 -7.563 1.00 0.00 O ATOM 0 H GLY A 69 -12.464 6.283 -9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.433 9.064 -9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.061 8.679 -10.034 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.241 7.511 -7.113 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.611 7.457 -5.709 1.00 0.00 C ATOM 1078 C GLU A 70 -11.358 7.450 -4.830 1.00 0.00 C ATOM 1079 O GLU A 70 -10.301 6.988 -5.255 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.491 6.239 -5.419 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.974 6.590 -5.556 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.640 6.703 -4.183 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.581 5.700 -3.439 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.192 7.790 -3.908 1.00 0.00 O ATOM 0 H GLU A 70 -11.583 6.790 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.193 8.348 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.239 5.432 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.292 5.873 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.080 7.532 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.479 5.826 -6.147 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.520 7.967 -3.621 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.415 8.026 -2.679 1.00 0.00 C ATOM 1093 C LYS A 71 -10.564 6.899 -1.654 1.00 0.00 C ATOM 1094 O LYS A 71 -11.491 6.910 -0.846 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.318 9.418 -2.053 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.294 10.504 -3.131 1.00 0.00 C ATOM 1097 CD LYS A 71 -9.744 11.818 -2.573 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.767 12.465 -3.557 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.390 13.637 -4.211 1.00 0.00 N ATOM 0 H LYS A 71 -12.399 8.349 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.467 7.867 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.165 9.581 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.416 9.485 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.680 10.176 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.301 10.662 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.567 12.503 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.241 11.632 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.863 12.772 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.466 11.738 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.713 14.064 -4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.240 13.335 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.655 14.337 -3.489 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.637 5.955 -1.721 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.654 4.824 -0.809 1.00 0.00 C ATOM 1115 C LEU A 72 -9.337 5.311 0.607 1.00 0.00 C ATOM 1116 O LEU A 72 -8.181 5.299 1.027 1.00 0.00 O ATOM 1117 CB LEU A 72 -8.715 3.722 -1.304 1.00 0.00 C ATOM 1118 CG LEU A 72 -8.837 3.353 -2.784 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -7.640 2.517 -3.241 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.167 2.651 -3.066 1.00 0.00 C ATOM 0 H LEU A 72 -8.869 5.950 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.647 4.375 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.688 4.033 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.894 2.826 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.828 4.274 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.752 2.268 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.722 3.087 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.592 1.599 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.228 2.400 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.230 1.739 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.991 3.314 -2.802 1.00 0.00 H new ATOM 1132 N THR A 73 -10.384 5.729 1.303 1.00 0.00 N ATOM 1133 CA THR A 73 -10.232 6.219 2.662 1.00 0.00 C ATOM 1134 C THR A 73 -10.868 5.244 3.655 1.00 0.00 C ATOM 1135 O THR A 73 -10.175 4.653 4.481 1.00 0.00 O ATOM 1136 CB THR A 73 -10.828 7.627 2.726 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.161 7.462 2.250 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.186 8.581 1.716 1.00 0.00 C ATOM 0 H THR A 73 -11.341 5.738 0.951 1.00 0.00 H new ATOM 0 HA THR A 73 -9.181 6.282 2.945 1.00 0.00 H new ATOM 0 HB THR A 73 -10.705 8.028 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.621 8.327 2.260 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.645 9.566 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.118 8.659 1.918 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.337 8.198 0.707 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.181 5.107 3.541 1.00 0.00 N ATOM 1147 CA GLU A 74 -12.919 4.214 4.419 1.00 0.00 C ATOM 1148 C GLU A 74 -12.181 2.881 4.561 1.00 0.00 C ATOM 1149 O GLU A 74 -11.680 2.337 3.578 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.345 4.000 3.909 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.373 4.436 4.956 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.489 5.263 4.317 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.155 6.328 3.754 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -17.652 4.812 4.405 1.00 0.00 O ATOM 0 H GLU A 74 -12.753 5.599 2.854 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.986 4.676 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.495 4.566 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.494 2.948 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.799 3.557 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.881 5.021 5.732 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.138 2.393 5.792 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.471 1.134 6.076 1.00 0.00 C ATOM 1163 C ASP A 75 -12.512 0.017 6.159 1.00 0.00 C ATOM 1164 O ASP A 75 -12.340 -1.043 5.558 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.732 1.192 7.414 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.715 2.567 8.085 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -11.666 2.838 8.849 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -9.750 3.316 7.818 1.00 0.00 O ATOM 0 H ASP A 75 -12.555 2.847 6.605 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.755 0.944 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.191 0.477 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.703 0.868 7.258 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.570 0.292 6.907 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.640 -0.677 7.076 1.00 0.00 C ATOM 1175 C ARG A 76 -15.209 -1.083 5.715 1.00 0.00 C ATOM 1176 O ARG A 76 -15.836 -2.133 5.588 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.765 -0.110 7.943 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.556 -0.467 9.416 1.00 0.00 C ATOM 1179 CD ARG A 76 -15.957 -1.918 9.690 1.00 0.00 C ATOM 1180 NE ARG A 76 -15.634 -2.276 11.090 1.00 0.00 N ATOM 1181 CZ ARG A 76 -16.434 -2.021 12.134 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.609 -1.405 11.943 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -16.060 -2.382 13.369 1.00 0.00 N ATOM 0 H ARG A 76 -13.710 1.172 7.403 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.220 -1.551 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.805 0.973 7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.724 -0.502 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.510 -0.318 9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.145 0.202 10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.024 -2.050 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.433 -2.585 9.005 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.747 -2.746 11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.894 -1.130 11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.218 -1.211 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.166 -2.851 13.514 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.669 -2.188 14.164 1.00 0.00 H new ATOM 1197 N LYS A 77 -14.968 -0.229 4.731 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.449 -0.485 3.384 1.00 0.00 C ATOM 1199 C LYS A 77 -14.451 -1.386 2.654 1.00 0.00 C ATOM 1200 O LYS A 77 -13.247 -1.136 2.682 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.735 0.831 2.657 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.414 0.577 1.310 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.083 1.849 0.785 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.373 1.520 0.031 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.207 2.732 -0.123 1.00 0.00 N ATOM 0 H LYS A 77 -14.446 0.641 4.840 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.399 -1.018 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.373 1.462 3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.803 1.375 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.677 0.225 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.158 -0.212 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.304 2.517 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.397 2.379 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.133 1.109 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.931 0.754 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.078 2.491 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.451 3.107 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.679 3.452 -0.656 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.988 -2.416 2.017 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.160 -3.356 1.281 1.00 0.00 C ATOM 1221 C LYS A 78 -13.777 -2.744 -0.068 1.00 0.00 C ATOM 1222 O LYS A 78 -14.493 -1.891 -0.592 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.861 -4.711 1.164 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.246 -5.249 2.544 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.719 -5.661 2.580 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.938 -6.830 3.543 1.00 0.00 C ATOM 1227 NZ LYS A 78 -17.746 -7.888 2.897 1.00 0.00 N ATOM 0 H LYS A 78 -15.987 -2.620 1.995 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.232 -3.549 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.754 -4.611 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.205 -5.422 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.619 -6.105 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.059 -4.487 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.330 -4.812 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.046 -5.943 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.976 -7.238 3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.442 -6.478 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.886 -8.674 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.670 -7.499 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.251 -8.235 2.051 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.650 -3.203 -0.592 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.164 -2.711 -1.870 1.00 0.00 C ATOM 1243 C LEU A 79 -13.181 -3.050 -2.962 1.00 0.00 C ATOM 1244 O LEU A 79 -13.397 -2.260 -3.880 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.759 -3.247 -2.151 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.736 -3.067 -1.027 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.350 -3.543 -1.466 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.714 -1.619 -0.532 1.00 0.00 C ATOM 0 H LEU A 79 -12.059 -3.910 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.068 -1.625 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.836 -4.310 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.376 -2.756 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.040 -3.690 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.642 -3.404 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.395 -4.599 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.024 -2.965 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.979 -1.519 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.448 -0.957 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.700 -1.349 -0.153 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.777 -4.225 -2.827 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.766 -4.678 -3.790 1.00 0.00 C ATOM 1262 C ARG A 80 -15.950 -3.710 -3.831 1.00 0.00 C ATOM 1263 O ARG A 80 -16.581 -3.539 -4.873 1.00 0.00 O ATOM 1264 CB ARG A 80 -15.273 -6.079 -3.442 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.702 -6.158 -1.976 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.576 -7.389 -1.726 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.824 -6.993 -1.037 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.881 -6.447 -1.653 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.848 -6.229 -2.975 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.972 -6.118 -0.947 1.00 0.00 N ATOM 0 H ARG A 80 -13.594 -4.878 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.285 -4.711 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.115 -6.335 -4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.489 -6.812 -3.635 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.820 -6.198 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.251 -5.256 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.812 -7.876 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.032 -8.115 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.883 -7.145 -0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.018 -6.479 -3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.653 -5.813 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -19.997 -6.283 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.777 -5.702 -1.416 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.216 -3.103 -2.684 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.313 -2.156 -2.575 1.00 0.00 C ATOM 1286 C ASP A 81 -16.919 -0.844 -3.256 1.00 0.00 C ATOM 1287 O ASP A 81 -17.777 -0.019 -3.566 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.635 -1.851 -1.111 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.479 -2.911 -0.400 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -18.265 -4.104 -0.704 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.318 -2.503 0.432 1.00 0.00 O ATOM 0 H ASP A 81 -15.691 -3.248 -1.822 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.188 -2.598 -3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.699 -1.729 -0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -18.160 -0.897 -1.061 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.620 -0.692 -3.469 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.101 0.506 -4.107 1.00 0.00 C ATOM 1298 C TYR A 82 -15.008 0.322 -5.623 1.00 0.00 C ATOM 1299 O TYR A 82 -14.644 1.251 -6.343 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.694 0.709 -3.542 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.590 1.849 -2.527 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.373 3.141 -2.960 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.714 1.585 -1.178 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.274 4.214 -2.005 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.616 2.658 -0.223 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.401 3.920 -0.683 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.308 4.933 0.219 1.00 0.00 O ATOM 0 H TYR A 82 -14.911 -1.379 -3.211 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.754 1.357 -3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.367 -0.217 -3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.008 0.906 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.277 3.348 -4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.884 0.574 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.103 5.229 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.711 2.465 0.835 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.863 5.701 -0.196 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.343 -0.882 -6.063 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.301 -1.199 -7.481 1.00 0.00 C ATOM 1319 C GLY A 83 -13.957 -1.821 -7.864 1.00 0.00 C ATOM 1320 O GLY A 83 -13.690 -2.055 -9.042 1.00 0.00 O ATOM 0 H GLY A 83 -15.645 -1.650 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.108 -1.889 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.466 -0.293 -8.065 1.00 0.00 H new ATOM 1324 N ILE A 84 -13.146 -2.073 -6.847 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.836 -2.664 -7.062 1.00 0.00 C ATOM 1326 C ILE A 84 -11.970 -4.187 -7.108 1.00 0.00 C ATOM 1327 O ILE A 84 -12.903 -4.749 -6.536 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.844 -2.165 -6.010 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.778 -0.636 -5.999 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.465 -2.797 -6.213 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -9.927 -0.132 -4.832 1.00 0.00 C ATOM 0 H ILE A 84 -13.371 -1.879 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.430 -2.350 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.201 -2.479 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.359 -0.280 -6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.785 -0.226 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.779 -2.425 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.546 -3.881 -6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.087 -2.536 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.897 0.957 -4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.363 -0.469 -3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.914 -0.524 -4.924 1.00 0.00 H new ATOM 1343 N ARG A 85 -11.024 -4.812 -7.794 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.025 -6.259 -7.922 1.00 0.00 C ATOM 1345 C ARG A 85 -9.591 -6.785 -8.012 1.00 0.00 C ATOM 1346 O ARG A 85 -8.636 -6.022 -7.869 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.802 -6.702 -9.163 1.00 0.00 C ATOM 1348 CG ARG A 85 -11.477 -5.808 -10.362 1.00 0.00 C ATOM 1349 CD ARG A 85 -12.217 -4.472 -10.266 1.00 0.00 C ATOM 1350 NE ARG A 85 -12.671 -4.047 -11.609 1.00 0.00 N ATOM 1351 CZ ARG A 85 -13.699 -4.603 -12.264 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -14.386 -5.608 -11.705 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -14.040 -4.153 -13.479 1.00 0.00 N ATOM 0 H ARG A 85 -10.252 -4.342 -8.267 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.512 -6.669 -7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.557 -7.737 -9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -12.872 -6.667 -8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.403 -5.630 -10.407 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -11.755 -6.316 -11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.073 -4.568 -9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.561 -3.714 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.170 -3.284 -12.064 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.127 -5.951 -10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.169 -6.031 -12.204 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.517 -3.388 -13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.823 -4.576 -13.978 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.484 -8.084 -8.250 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.183 -8.720 -8.361 1.00 0.00 C ATOM 1369 C ASN A 86 -7.472 -8.202 -9.613 1.00 0.00 C ATOM 1370 O ASN A 86 -8.111 -7.943 -10.632 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.321 -10.238 -8.490 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.975 -10.886 -8.820 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -5.918 -10.408 -8.440 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -7.071 -11.996 -9.545 1.00 0.00 N ATOM 0 H ASN A 86 -10.278 -8.713 -8.369 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.615 -8.485 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.709 -10.652 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.044 -10.476 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.228 -12.502 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.987 -12.341 -9.830 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.159 -8.066 -9.496 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.355 -7.584 -10.605 1.00 0.00 C ATOM 1383 C ARG A 87 -5.847 -6.208 -11.059 1.00 0.00 C ATOM 1384 O ARG A 87 -6.265 -6.041 -12.204 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.410 -8.553 -11.788 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.225 -9.520 -11.759 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.808 -9.919 -13.176 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.549 -10.696 -13.134 1.00 0.00 N ATOM 1389 CZ ARG A 87 -1.851 -11.054 -14.220 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -2.284 -10.707 -15.440 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -0.719 -11.759 -14.086 1.00 0.00 N ATOM 0 H ARG A 87 -5.632 -8.281 -8.649 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.324 -7.509 -10.259 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.344 -9.115 -11.759 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.404 -7.992 -12.723 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.384 -9.054 -11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.492 -10.411 -11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.595 -10.512 -13.642 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.675 -9.028 -13.789 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.190 -10.976 -12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.145 -10.170 -15.542 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.752 -10.980 -16.267 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.389 -12.023 -13.157 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.187 -12.032 -14.913 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.781 -5.258 -10.138 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.215 -3.902 -10.429 1.00 0.00 C ATOM 1407 C ASP A 88 -5.012 -2.959 -10.353 1.00 0.00 C ATOM 1408 O ASP A 88 -3.924 -3.366 -9.949 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.253 -3.425 -9.411 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.076 -2.211 -9.847 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.476 -2.192 -11.031 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -8.285 -1.329 -8.986 1.00 0.00 O ATOM 0 H ASP A 88 -5.434 -5.400 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.657 -3.896 -11.425 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.934 -4.248 -9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.742 -3.183 -8.479 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.249 -1.717 -10.749 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.199 -0.713 -10.731 1.00 0.00 C ATOM 1419 C GLU A 89 -4.580 0.438 -9.798 1.00 0.00 C ATOM 1420 O GLU A 89 -5.477 1.221 -10.106 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.907 -0.200 -12.143 1.00 0.00 C ATOM 1422 CG GLU A 89 -3.026 -1.186 -12.913 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.417 -0.525 -14.152 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -2.114 0.684 -14.059 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -2.268 -1.244 -15.163 1.00 0.00 O ATOM 0 H GLU A 89 -6.153 -1.383 -11.084 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.288 -1.176 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.844 -0.048 -12.679 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.411 0.769 -12.086 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.231 -1.552 -12.264 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.618 -2.051 -13.212 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.880 0.503 -8.675 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.133 1.545 -7.694 1.00 0.00 C ATOM 1434 C VAL A 90 -2.935 2.495 -7.644 1.00 0.00 C ATOM 1435 O VAL A 90 -1.799 2.079 -7.862 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.456 0.918 -6.337 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.224 1.918 -5.202 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.888 0.379 -6.308 1.00 0.00 C ATOM 0 H VAL A 90 -3.138 -0.149 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.004 2.135 -7.980 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.779 0.077 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.461 1.447 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.180 2.233 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.865 2.788 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.091 -0.061 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.588 1.195 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.007 -0.381 -7.081 1.00 0.00 H new ATOM 1448 N SER A 91 -3.231 3.754 -7.356 1.00 0.00 N ATOM 1449 CA SER A 91 -2.192 4.767 -7.275 1.00 0.00 C ATOM 1450 C SER A 91 -2.328 5.553 -5.969 1.00 0.00 C ATOM 1451 O SER A 91 -3.361 5.483 -5.304 1.00 0.00 O ATOM 1452 CB SER A 91 -2.252 5.715 -8.474 1.00 0.00 C ATOM 1453 OG SER A 91 -3.502 5.638 -9.153 1.00 0.00 O ATOM 0 H SER A 91 -4.175 4.096 -7.176 1.00 0.00 H new ATOM 0 HA SER A 91 -1.224 4.266 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.085 6.738 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.447 5.473 -9.168 1.00 0.00 H new ATOM 0 HG SER A 91 -3.501 6.259 -9.911 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.272 6.283 -5.642 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.261 7.081 -4.428 1.00 0.00 C ATOM 1461 C PHE A 92 -1.641 8.533 -4.723 1.00 0.00 C ATOM 1462 O PHE A 92 -1.375 9.039 -5.813 1.00 0.00 O ATOM 1463 CB PHE A 92 0.166 7.041 -3.879 1.00 0.00 C ATOM 1464 CG PHE A 92 0.319 6.216 -2.600 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.184 6.684 -1.426 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.957 5.016 -2.636 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.043 5.918 -0.238 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.098 4.251 -1.449 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.595 4.718 -0.275 1.00 0.00 C ATOM 0 H PHE A 92 -0.418 6.339 -6.197 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.982 6.683 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.827 6.633 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.497 8.061 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.690 7.638 -1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.357 4.645 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.443 6.289 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.605 3.298 -1.478 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.702 4.136 0.628 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.257 9.163 -3.734 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.677 10.547 -3.874 1.00 0.00 C ATOM 1481 C ILE A 93 -2.467 11.276 -2.545 1.00 0.00 C ATOM 1482 O ILE A 93 -2.329 10.642 -1.500 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.112 10.622 -4.397 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.560 12.076 -4.564 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.065 9.828 -3.500 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.915 12.154 -5.271 1.00 0.00 C ATOM 0 H ILE A 93 -2.476 8.740 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.065 11.057 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.140 10.161 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.628 12.554 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.814 12.627 -5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.079 9.898 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.756 8.783 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.040 10.237 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.210 13.198 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.838 11.697 -6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.663 11.623 -4.683 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.451 12.598 -2.628 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.261 13.420 -1.445 1.00 0.00 C ATOM 1500 C LYS A 94 -3.496 14.299 -1.236 1.00 0.00 C ATOM 1501 O LYS A 94 -4.164 14.675 -2.198 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.954 14.209 -1.544 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.504 14.700 -0.167 1.00 0.00 C ATOM 1504 CD LYS A 94 -0.690 16.213 -0.037 1.00 0.00 C ATOM 1505 CE LYS A 94 0.385 16.822 0.866 1.00 0.00 C ATOM 1506 NZ LYS A 94 0.722 18.193 0.418 1.00 0.00 N ATOM 0 H LYS A 94 -2.567 13.121 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.161 12.794 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.178 13.581 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.089 15.060 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.076 14.192 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.544 14.444 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.646 16.675 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.678 16.428 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.032 16.846 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.278 16.198 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.453 18.592 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.079 18.161 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.129 18.790 0.456 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.761 14.601 0.027 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.904 15.429 0.374 1.00 0.00 C ATOM 1522 C LYS A 95 -4.716 16.826 -0.222 1.00 0.00 C ATOM 1523 O LYS A 95 -3.718 17.090 -0.891 1.00 0.00 O ATOM 1524 CB LYS A 95 -5.124 15.431 1.888 1.00 0.00 C ATOM 1525 CG LYS A 95 -5.435 14.022 2.398 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.286 13.945 3.919 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.621 14.215 4.615 1.00 0.00 C ATOM 1528 NZ LYS A 95 -6.420 14.391 6.071 1.00 0.00 N ATOM 0 H LYS A 95 -3.204 14.287 0.822 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.817 15.018 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.235 15.815 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.945 16.102 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.450 13.744 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.764 13.304 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.917 12.959 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.545 14.671 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.083 15.109 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.306 13.387 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.336 14.573 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.000 13.528 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.783 15.196 6.239 1.00 0.00 H new ATOM 1542 N LEU A 96 -5.691 17.683 0.043 1.00 0.00 N ATOM 1543 CA LEU A 96 -5.646 19.046 -0.459 1.00 0.00 C ATOM 1544 C LEU A 96 -4.505 19.800 0.228 1.00 0.00 C ATOM 1545 O LEU A 96 -3.960 19.332 1.226 1.00 0.00 O ATOM 1546 CB LEU A 96 -7.010 19.720 -0.303 1.00 0.00 C ATOM 1547 CG LEU A 96 -7.331 20.827 -1.310 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -8.699 20.601 -1.956 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -7.225 22.207 -0.659 1.00 0.00 C ATOM 0 H LEU A 96 -6.517 17.460 0.599 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.434 19.051 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.782 18.954 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.073 20.140 0.701 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.589 20.789 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.902 21.402 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.702 19.644 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.469 20.597 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.458 22.976 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.930 22.273 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.212 22.357 -0.286 1.00 0.00 H new ATOM 1561 N GLY A 97 -4.179 20.954 -0.334 1.00 0.00 N ATOM 1562 CA GLY A 97 -3.113 21.778 0.212 1.00 0.00 C ATOM 1563 C GLY A 97 -3.464 23.264 0.114 1.00 0.00 C ATOM 1564 O GLY A 97 -4.394 23.640 -0.597 1.00 0.00 O ATOM 0 H GLY A 97 -4.634 21.339 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.939 21.510 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.186 21.583 -0.327 1.00 0.00 H new ATOM 1568 N GLN A 98 -2.699 24.068 0.839 1.00 0.00 N ATOM 1569 CA GLN A 98 -2.917 25.505 0.842 1.00 0.00 C ATOM 1570 C GLN A 98 -1.588 26.244 0.680 1.00 0.00 C ATOM 1571 O GLN A 98 -1.399 26.985 -0.283 1.00 0.00 O ATOM 1572 CB GLN A 98 -3.638 25.946 2.118 1.00 0.00 C ATOM 1573 CG GLN A 98 -3.993 27.434 2.059 1.00 0.00 C ATOM 1574 CD GLN A 98 -5.238 27.734 2.898 1.00 0.00 C ATOM 1575 OE1 GLN A 98 -5.725 26.906 3.651 1.00 0.00 O ATOM 1576 NE2 GLN A 98 -5.723 28.960 2.726 1.00 0.00 N ATOM 0 H GLN A 98 -1.928 23.752 1.428 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.556 25.758 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.545 25.357 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.004 25.753 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.154 28.027 2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.167 27.729 1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.266 29.603 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.552 29.257 3.241 1.00 0.00 H new ATOM 1585 N LYS A 99 -0.700 26.016 1.638 1.00 0.00 N ATOM 1586 CA LYS A 99 0.606 26.651 1.613 1.00 0.00 C ATOM 1587 C LYS A 99 1.484 26.045 2.711 1.00 0.00 C ATOM 1588 O LYS A 99 1.262 26.294 3.895 1.00 0.00 O ATOM 1589 CB LYS A 99 0.465 28.172 1.708 1.00 0.00 C ATOM 1590 CG LYS A 99 1.780 28.868 1.351 1.00 0.00 C ATOM 1591 CD LYS A 99 1.649 30.387 1.482 1.00 0.00 C ATOM 1592 CE LYS A 99 3.025 31.054 1.519 1.00 0.00 C ATOM 1593 NZ LYS A 99 3.055 32.125 2.541 1.00 0.00 N ATOM 0 H LYS A 99 -0.860 25.401 2.436 1.00 0.00 H new ATOM 0 HA LYS A 99 1.104 26.459 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.324 28.510 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.165 28.451 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.575 28.510 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.067 28.611 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.073 30.780 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.098 30.631 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.790 30.310 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.260 31.471 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.996 32.567 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.338 32.843 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.852 31.718 3.476 1.00 0.00 H new ATOM 1607 N SER A 100 2.461 25.263 2.278 1.00 0.00 N ATOM 1608 CA SER A 100 3.373 24.619 3.209 1.00 0.00 C ATOM 1609 C SER A 100 4.816 24.797 2.735 1.00 0.00 C ATOM 1610 O SER A 100 5.055 25.220 1.604 1.00 0.00 O ATOM 1611 CB SER A 100 3.044 23.133 3.363 1.00 0.00 C ATOM 1612 OG SER A 100 2.468 22.843 4.634 1.00 0.00 O ATOM 0 H SER A 100 2.642 25.060 1.295 1.00 0.00 H new ATOM 0 HA SER A 100 3.257 25.092 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.354 22.831 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.953 22.545 3.234 1.00 0.00 H new ATOM 0 HG SER A 100 2.271 21.885 4.693 1.00 0.00 H new ATOM 1618 N GLY A 101 5.742 24.466 3.623 1.00 0.00 N ATOM 1619 CA GLY A 101 7.156 24.584 3.309 1.00 0.00 C ATOM 1620 C GLY A 101 7.492 23.853 2.008 1.00 0.00 C ATOM 1621 O GLY A 101 6.768 22.948 1.595 1.00 0.00 O ATOM 0 H GLY A 101 5.541 24.116 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.425 25.636 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.749 24.172 4.125 1.00 0.00 H new ATOM 1625 N PRO A 102 8.620 24.283 1.382 1.00 0.00 N ATOM 1626 CA PRO A 102 9.061 23.679 0.136 1.00 0.00 C ATOM 1627 C PRO A 102 9.681 22.302 0.383 1.00 0.00 C ATOM 1628 O PRO A 102 9.816 21.875 1.528 1.00 0.00 O ATOM 1629 CB PRO A 102 10.043 24.675 -0.458 1.00 0.00 C ATOM 1630 CG PRO A 102 10.469 25.576 0.690 1.00 0.00 C ATOM 1631 CD PRO A 102 9.503 25.351 1.842 1.00 0.00 C ATOM 0 HA PRO A 102 8.239 23.491 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 102 10.902 24.164 -0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 102 9.578 25.253 -1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 102 11.489 25.347 0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 102 10.457 26.621 0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.031 25.064 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.942 26.257 2.071 1.00 0.00 H new ATOM 1639 N SER A 103 10.042 21.647 -0.711 1.00 0.00 N ATOM 1640 CA SER A 103 10.645 20.327 -0.627 1.00 0.00 C ATOM 1641 C SER A 103 9.707 19.369 0.109 1.00 0.00 C ATOM 1642 O SER A 103 8.763 19.802 0.767 1.00 0.00 O ATOM 1643 CB SER A 103 12.003 20.385 0.077 1.00 0.00 C ATOM 1644 OG SER A 103 13.027 20.882 -0.780 1.00 0.00 O ATOM 0 H SER A 103 9.929 22.005 -1.659 1.00 0.00 H new ATOM 0 HA SER A 103 10.807 19.960 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.927 21.021 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 103 12.274 19.388 0.425 1.00 0.00 H new ATOM 0 HG SER A 103 13.878 20.905 -0.294 1.00 0.00 H new ATOM 1650 N SER A 104 9.999 18.084 -0.028 1.00 0.00 N ATOM 1651 CA SER A 104 9.193 17.060 0.615 1.00 0.00 C ATOM 1652 C SER A 104 9.816 15.682 0.385 1.00 0.00 C ATOM 1653 O SER A 104 9.503 15.012 -0.598 1.00 0.00 O ATOM 1654 CB SER A 104 7.754 17.086 0.097 1.00 0.00 C ATOM 1655 OG SER A 104 6.834 16.556 1.048 1.00 0.00 O ATOM 0 H SER A 104 10.783 17.728 -0.575 1.00 0.00 H new ATOM 0 HA SER A 104 9.169 17.266 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 104 7.474 18.111 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.691 16.512 -0.827 1.00 0.00 H new ATOM 0 HG SER A 104 5.926 16.592 0.680 1.00 0.00 H new ATOM 1661 N GLY A 105 10.686 15.299 1.307 1.00 0.00 N ATOM 1662 CA GLY A 105 11.356 14.013 1.217 1.00 0.00 C ATOM 1663 C GLY A 105 10.983 13.117 2.400 1.00 0.00 C ATOM 1664 O GLY A 105 11.645 12.112 2.655 1.00 0.00 O ATOM 0 H GLY A 105 10.943 15.857 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.083 13.521 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 105 12.436 14.162 1.195 1.00 0.00 H new TER 1668 GLY A 105