USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 864 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 180:sc= 0 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 13 CYS SG : rot 180:sc= -0.122 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -6.61! C(o=-6.6!,f=-7.1!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.71) USER MOD Single : A 47 ASN : amide:sc= 0.608 K(o=0.61,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= -0.0158 (180deg=-0.883) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -8.48! C(o=-8.5!,f=-6.2!) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.526 (180deg=-1.19) USER MOD Single : A 66 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.5!) USER MOD Single : A 69 SER OG : rot 160:sc= -1.65! USER MOD Single : A 79 ASN : amide:sc= -0.316 K(o=-0.32,f=-7.2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0378 K(o=-0.038,f=-1.5!) USER MOD Single : A 94 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : A 96 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.22) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -37:sc= 0.904 USER MOD Single : A 106 HIS : no HD1:sc= -0.0186 K(o=-0.019,f=-0.56) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 26:sc= 0.321 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.715 30.125 -26.642 1.00 0.00 N ATOM 2 CA GLY A 1 15.087 29.653 -26.679 1.00 0.00 C ATOM 3 C GLY A 1 15.654 29.408 -25.295 1.00 0.00 C ATOM 4 O GLY A 1 16.662 30.004 -24.916 1.00 0.00 O ATOM 0 H1 GLY A 1 13.374 30.277 -27.613 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.117 29.416 -26.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.670 31.020 -26.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.135 28.730 -27.256 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.706 30.385 -27.197 1.00 0.00 H new ATOM 8 N SER A 2 15.004 28.530 -24.538 1.00 0.00 N ATOM 9 CA SER A 2 15.447 28.212 -23.185 1.00 0.00 C ATOM 10 C SER A 2 16.387 27.011 -23.189 1.00 0.00 C ATOM 11 O SER A 2 16.184 26.052 -23.934 1.00 0.00 O ATOM 12 CB SER A 2 14.243 27.929 -22.285 1.00 0.00 C ATOM 13 OG SER A 2 13.638 26.691 -22.617 1.00 0.00 O ATOM 0 H SER A 2 14.169 28.026 -24.838 1.00 0.00 H new ATOM 0 HA SER A 2 15.989 29.074 -22.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.560 27.914 -21.242 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.513 28.732 -22.385 1.00 0.00 H new ATOM 0 HG SER A 2 12.872 26.532 -22.026 1.00 0.00 H new ATOM 19 N SER A 3 17.417 27.070 -22.352 1.00 0.00 N ATOM 20 CA SER A 3 18.392 25.990 -22.261 1.00 0.00 C ATOM 21 C SER A 3 18.028 25.023 -21.137 1.00 0.00 C ATOM 22 O SER A 3 18.893 24.572 -20.387 1.00 0.00 O ATOM 23 CB SER A 3 19.794 26.557 -22.027 1.00 0.00 C ATOM 24 OG SER A 3 20.418 26.895 -23.253 1.00 0.00 O ATOM 0 H SER A 3 17.598 27.855 -21.726 1.00 0.00 H new ATOM 0 HA SER A 3 18.382 25.444 -23.205 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.731 27.440 -21.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.402 25.825 -21.496 1.00 0.00 H new ATOM 0 HG SER A 3 21.312 27.257 -23.076 1.00 0.00 H new ATOM 30 N GLY A 4 16.741 24.710 -21.028 1.00 0.00 N ATOM 31 CA GLY A 4 16.284 23.799 -19.995 1.00 0.00 C ATOM 32 C GLY A 4 15.344 22.738 -20.531 1.00 0.00 C ATOM 33 O GLY A 4 14.824 22.862 -21.640 1.00 0.00 O ATOM 0 H GLY A 4 16.006 25.071 -21.637 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.146 23.317 -19.533 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.779 24.366 -19.213 1.00 0.00 H new ATOM 37 N SER A 5 15.127 21.689 -19.744 1.00 0.00 N ATOM 38 CA SER A 5 14.248 20.599 -20.148 1.00 0.00 C ATOM 39 C SER A 5 13.749 19.823 -18.933 1.00 0.00 C ATOM 40 O SER A 5 14.515 19.118 -18.275 1.00 0.00 O ATOM 41 CB SER A 5 14.978 19.655 -21.105 1.00 0.00 C ATOM 42 OG SER A 5 14.061 18.933 -21.909 1.00 0.00 O ATOM 0 H SER A 5 15.548 21.571 -18.823 1.00 0.00 H new ATOM 0 HA SER A 5 13.388 21.031 -20.660 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.652 20.228 -21.742 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.593 18.959 -20.535 1.00 0.00 H new ATOM 0 HG SER A 5 14.553 18.338 -22.513 1.00 0.00 H new ATOM 48 N SER A 6 12.460 19.959 -18.640 1.00 0.00 N ATOM 49 CA SER A 6 11.858 19.275 -17.501 1.00 0.00 C ATOM 50 C SER A 6 10.933 18.155 -17.967 1.00 0.00 C ATOM 51 O SER A 6 10.238 18.287 -18.974 1.00 0.00 O ATOM 52 CB SER A 6 11.080 20.268 -16.636 1.00 0.00 C ATOM 53 OG SER A 6 10.819 19.729 -15.351 1.00 0.00 O ATOM 0 H SER A 6 11.812 20.537 -19.175 1.00 0.00 H new ATOM 0 HA SER A 6 12.660 18.837 -16.907 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.649 21.193 -16.537 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.140 20.523 -17.125 1.00 0.00 H new ATOM 0 HG SER A 6 10.322 20.383 -14.817 1.00 0.00 H new ATOM 59 N GLY A 7 10.931 17.050 -17.227 1.00 0.00 N ATOM 60 CA GLY A 7 10.089 15.922 -17.579 1.00 0.00 C ATOM 61 C GLY A 7 10.888 14.738 -18.086 1.00 0.00 C ATOM 62 O GLY A 7 12.073 14.605 -17.783 1.00 0.00 O ATOM 0 H GLY A 7 11.498 16.916 -16.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.510 15.619 -16.707 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.376 16.230 -18.344 1.00 0.00 H new ATOM 66 N MET A 8 10.237 13.875 -18.859 1.00 0.00 N ATOM 67 CA MET A 8 10.895 12.696 -19.409 1.00 0.00 C ATOM 68 C MET A 8 11.589 11.898 -18.309 1.00 0.00 C ATOM 69 O MET A 8 12.587 11.222 -18.556 1.00 0.00 O ATOM 70 CB MET A 8 11.911 13.104 -20.478 1.00 0.00 C ATOM 71 CG MET A 8 12.116 12.051 -21.555 1.00 0.00 C ATOM 72 SD MET A 8 10.879 12.145 -22.863 1.00 0.00 S ATOM 73 CE MET A 8 10.988 10.495 -23.552 1.00 0.00 C ATOM 0 H MET A 8 9.255 13.970 -19.118 1.00 0.00 H new ATOM 0 HA MET A 8 10.132 12.065 -19.865 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.581 14.031 -20.946 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.867 13.312 -19.998 1.00 0.00 H new ATOM 0 HG2 MET A 8 13.108 12.170 -21.990 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.084 11.061 -21.100 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.280 10.397 -24.375 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.999 10.321 -23.920 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.751 9.762 -22.781 1.00 0.00 H new ATOM 83 N ALA A 9 11.054 11.982 -17.096 1.00 0.00 N ATOM 84 CA ALA A 9 11.621 11.267 -15.960 1.00 0.00 C ATOM 85 C ALA A 9 11.739 9.775 -16.253 1.00 0.00 C ATOM 86 O ALA A 9 11.044 9.247 -17.120 1.00 0.00 O ATOM 87 CB ALA A 9 10.775 11.497 -14.716 1.00 0.00 C ATOM 0 H ALA A 9 10.228 12.538 -16.875 1.00 0.00 H new ATOM 0 HA ALA A 9 12.624 11.656 -15.782 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.210 10.957 -13.875 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.746 12.562 -14.487 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.762 11.137 -14.893 1.00 0.00 H new ATOM 93 N ALA A 10 12.624 9.102 -15.525 1.00 0.00 N ATOM 94 CA ALA A 10 12.831 7.671 -15.707 1.00 0.00 C ATOM 95 C ALA A 10 12.037 6.866 -14.684 1.00 0.00 C ATOM 96 O ALA A 10 11.647 7.370 -13.630 1.00 0.00 O ATOM 97 CB ALA A 10 14.312 7.336 -15.610 1.00 0.00 C ATOM 0 H ALA A 10 13.209 9.525 -14.804 1.00 0.00 H new ATOM 0 HA ALA A 10 12.472 7.401 -16.700 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.452 6.264 -15.748 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.859 7.876 -16.383 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.688 7.628 -14.629 1.00 0.00 H new ATOM 103 N PRO A 11 11.790 5.586 -14.999 1.00 0.00 N ATOM 104 CA PRO A 11 11.040 4.685 -14.120 1.00 0.00 C ATOM 105 C PRO A 11 11.817 4.327 -12.857 1.00 0.00 C ATOM 106 O PRO A 11 12.946 3.839 -12.928 1.00 0.00 O ATOM 107 CB PRO A 11 10.824 3.441 -14.986 1.00 0.00 C ATOM 108 CG PRO A 11 11.943 3.467 -15.970 1.00 0.00 C ATOM 109 CD PRO A 11 12.225 4.919 -16.238 1.00 0.00 C ATOM 0 HA PRO A 11 10.115 5.139 -13.765 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.846 2.532 -14.385 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.856 3.470 -15.486 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.825 2.965 -15.571 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.668 2.947 -16.888 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.282 5.093 -16.438 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.673 5.282 -17.105 1.00 0.00 H new ATOM 117 N LEU A 12 11.206 4.570 -11.703 1.00 0.00 N ATOM 118 CA LEU A 12 11.841 4.272 -10.424 1.00 0.00 C ATOM 119 C LEU A 12 11.412 2.902 -9.909 1.00 0.00 C ATOM 120 O LEU A 12 10.303 2.443 -10.185 1.00 0.00 O ATOM 121 CB LEU A 12 11.489 5.349 -9.395 1.00 0.00 C ATOM 122 CG LEU A 12 10.000 5.543 -9.110 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.790 6.062 -7.695 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.382 6.494 -10.125 1.00 0.00 C ATOM 0 H LEU A 12 10.272 4.972 -11.626 1.00 0.00 H new ATOM 0 HA LEU A 12 12.920 4.261 -10.576 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.989 5.105 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.900 6.299 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 12 9.504 4.576 -9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.724 6.194 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.196 5.346 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.299 7.019 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.322 6.620 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.882 7.461 -10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.499 6.083 -11.128 1.00 0.00 H new ATOM 136 N CYS A 13 12.297 2.254 -9.160 1.00 0.00 N ATOM 137 CA CYS A 13 12.010 0.936 -8.605 1.00 0.00 C ATOM 138 C CYS A 13 11.999 0.979 -7.080 1.00 0.00 C ATOM 139 O CYS A 13 12.833 1.639 -6.461 1.00 0.00 O ATOM 140 CB CYS A 13 13.044 -0.081 -9.091 1.00 0.00 C ATOM 141 SG CYS A 13 13.063 -0.315 -10.884 1.00 0.00 S ATOM 0 H CYS A 13 13.219 2.620 -8.923 1.00 0.00 H new ATOM 0 HA CYS A 13 11.022 0.631 -8.949 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.034 0.240 -8.767 1.00 0.00 H new ATOM 0 HB3 CYS A 13 12.847 -1.040 -8.612 1.00 0.00 H new ATOM 0 HG CYS A 13 13.971 -1.191 -11.198 1.00 0.00 H new ATOM 147 N VAL A 14 11.047 0.271 -6.481 1.00 0.00 N ATOM 148 CA VAL A 14 10.925 0.228 -5.028 1.00 0.00 C ATOM 149 C VAL A 14 10.677 -1.194 -4.540 1.00 0.00 C ATOM 150 O VAL A 14 10.075 -2.008 -5.241 1.00 0.00 O ATOM 151 CB VAL A 14 9.784 1.136 -4.533 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.995 2.566 -5.008 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.438 0.603 -5.002 1.00 0.00 C ATOM 0 H VAL A 14 10.349 -0.281 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 14 11.869 0.590 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 14 9.790 1.136 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.179 3.193 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.941 2.943 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.017 2.588 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.643 1.257 -4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.419 0.572 -6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.287 -0.402 -4.608 1.00 0.00 H new ATOM 163 N LYS A 15 11.143 -1.489 -3.331 1.00 0.00 N ATOM 164 CA LYS A 15 10.971 -2.812 -2.745 1.00 0.00 C ATOM 165 C LYS A 15 9.833 -2.814 -1.729 1.00 0.00 C ATOM 166 O LYS A 15 9.917 -2.164 -0.687 1.00 0.00 O ATOM 167 CB LYS A 15 12.268 -3.269 -2.074 1.00 0.00 C ATOM 168 CG LYS A 15 13.217 -3.994 -3.014 1.00 0.00 C ATOM 169 CD LYS A 15 14.664 -3.824 -2.585 1.00 0.00 C ATOM 170 CE LYS A 15 15.281 -2.571 -3.187 1.00 0.00 C ATOM 171 NZ LYS A 15 16.676 -2.356 -2.713 1.00 0.00 N ATOM 0 H LYS A 15 11.644 -0.828 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 15 10.720 -3.506 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.777 -2.400 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.023 -3.927 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.966 -5.054 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.090 -3.612 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.718 -3.771 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.240 -4.697 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.275 -2.650 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.672 -1.705 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.061 -1.492 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.679 -2.255 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.264 -3.170 -2.983 1.00 0.00 H new ATOM 185 N VAL A 16 8.770 -3.549 -2.038 1.00 0.00 N ATOM 186 CA VAL A 16 7.616 -3.637 -1.151 1.00 0.00 C ATOM 187 C VAL A 16 7.638 -4.933 -0.348 1.00 0.00 C ATOM 188 O VAL A 16 7.935 -6.001 -0.883 1.00 0.00 O ATOM 189 CB VAL A 16 6.295 -3.556 -1.938 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.111 -3.827 -1.023 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.159 -2.199 -2.612 1.00 0.00 C ATOM 0 H VAL A 16 8.684 -4.093 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 16 7.676 -2.789 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 16 6.307 -4.322 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.186 -3.765 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.205 -4.824 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.092 -3.086 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.220 -2.159 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.169 -1.414 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.991 -2.050 -3.300 1.00 0.00 H new ATOM 201 N GLU A 17 7.321 -4.831 0.939 1.00 0.00 N ATOM 202 CA GLU A 17 7.305 -5.996 1.816 1.00 0.00 C ATOM 203 C GLU A 17 6.014 -6.049 2.627 1.00 0.00 C ATOM 204 O GLU A 17 5.676 -5.104 3.340 1.00 0.00 O ATOM 205 CB GLU A 17 8.511 -5.971 2.757 1.00 0.00 C ATOM 206 CG GLU A 17 8.800 -7.311 3.413 1.00 0.00 C ATOM 207 CD GLU A 17 9.631 -7.176 4.674 1.00 0.00 C ATOM 208 OE1 GLU A 17 9.092 -6.688 5.689 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.820 -7.558 4.645 1.00 0.00 O ATOM 0 H GLU A 17 7.072 -3.954 1.397 1.00 0.00 H new ATOM 0 HA GLU A 17 7.359 -6.888 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.391 -5.653 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.340 -5.225 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.858 -7.804 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.323 -7.953 2.704 1.00 0.00 H new ATOM 216 N PHE A 18 5.294 -7.161 2.511 1.00 0.00 N ATOM 217 CA PHE A 18 4.039 -7.337 3.232 1.00 0.00 C ATOM 218 C PHE A 18 4.217 -8.291 4.409 1.00 0.00 C ATOM 219 O PHE A 18 4.909 -9.303 4.303 1.00 0.00 O ATOM 220 CB PHE A 18 2.956 -7.868 2.290 1.00 0.00 C ATOM 221 CG PHE A 18 2.558 -6.890 1.222 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.633 -5.893 1.486 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.110 -6.966 -0.047 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.265 -4.992 0.505 1.00 0.00 C ATOM 225 CE2 PHE A 18 2.746 -6.068 -1.032 1.00 0.00 C ATOM 226 CZ PHE A 18 1.823 -5.079 -0.755 1.00 0.00 C ATOM 0 H PHE A 18 5.558 -7.953 1.925 1.00 0.00 H new ATOM 0 HA PHE A 18 3.731 -6.365 3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.313 -8.783 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.075 -8.133 2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.194 -5.819 2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.834 -7.737 -0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.542 -4.220 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.183 -6.140 -2.017 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.538 -4.375 -1.523 1.00 0.00 H new ATOM 236 N GLY A 19 3.588 -7.959 5.532 1.00 0.00 N ATOM 237 CA GLY A 19 3.689 -8.796 6.714 1.00 0.00 C ATOM 238 C GLY A 19 2.348 -9.018 7.384 1.00 0.00 C ATOM 239 O GLY A 19 1.567 -8.083 7.552 1.00 0.00 O ATOM 0 H GLY A 19 3.010 -7.126 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.117 -9.759 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.375 -8.334 7.425 1.00 0.00 H new ATOM 243 N GLY A 20 2.078 -10.263 7.766 1.00 0.00 N ATOM 244 CA GLY A 20 0.820 -10.584 8.415 1.00 0.00 C ATOM 245 C GLY A 20 -0.140 -11.308 7.493 1.00 0.00 C ATOM 246 O GLY A 20 -1.351 -11.104 7.561 1.00 0.00 O ATOM 0 H GLY A 20 2.708 -11.055 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.014 -11.203 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.354 -9.665 8.771 1.00 0.00 H new ATOM 250 N GLY A 21 0.403 -12.158 6.625 1.00 0.00 N ATOM 251 CA GLY A 21 -0.428 -12.901 5.696 1.00 0.00 C ATOM 252 C GLY A 21 -0.753 -12.107 4.446 1.00 0.00 C ATOM 253 O GLY A 21 -1.044 -12.680 3.397 1.00 0.00 O ATOM 0 H GLY A 21 1.403 -12.345 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.081 -13.823 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.355 -13.188 6.192 1.00 0.00 H new ATOM 257 N ALA A 22 -0.705 -10.784 4.558 1.00 0.00 N ATOM 258 CA ALA A 22 -0.996 -9.910 3.428 1.00 0.00 C ATOM 259 C ALA A 22 -0.163 -10.293 2.210 1.00 0.00 C ATOM 260 O ALA A 22 -0.518 -9.968 1.077 1.00 0.00 O ATOM 261 CB ALA A 22 -0.745 -8.458 3.806 1.00 0.00 C ATOM 0 H ALA A 22 -0.467 -10.293 5.420 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.048 -10.030 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.966 -7.816 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.387 -8.184 4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.299 -8.332 4.094 1.00 0.00 H new ATOM 267 N GLU A 23 0.947 -10.984 2.451 1.00 0.00 N ATOM 268 CA GLU A 23 1.831 -11.409 1.371 1.00 0.00 C ATOM 269 C GLU A 23 1.098 -12.330 0.399 1.00 0.00 C ATOM 270 O GLU A 23 1.360 -12.314 -0.805 1.00 0.00 O ATOM 271 CB GLU A 23 3.059 -12.123 1.940 1.00 0.00 C ATOM 272 CG GLU A 23 2.747 -13.481 2.546 1.00 0.00 C ATOM 273 CD GLU A 23 3.742 -13.883 3.618 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.533 -13.018 4.049 1.00 0.00 O ATOM 275 OE2 GLU A 23 3.728 -15.063 4.027 1.00 0.00 O ATOM 0 H GLU A 23 1.255 -11.261 3.383 1.00 0.00 H new ATOM 0 HA GLU A 23 2.155 -10.521 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.796 -12.249 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.516 -11.491 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.745 -13.462 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.743 -14.234 1.758 1.00 0.00 H new ATOM 282 N LEU A 24 0.181 -13.131 0.929 1.00 0.00 N ATOM 283 CA LEU A 24 -0.590 -14.059 0.109 1.00 0.00 C ATOM 284 C LEU A 24 -1.358 -13.316 -0.979 1.00 0.00 C ATOM 285 O LEU A 24 -1.473 -13.794 -2.109 1.00 0.00 O ATOM 286 CB LEU A 24 -1.562 -14.855 0.982 1.00 0.00 C ATOM 287 CG LEU A 24 -0.954 -15.554 2.198 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.042 -15.969 3.176 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.135 -16.762 1.765 1.00 0.00 C ATOM 0 H LEU A 24 -0.047 -13.157 1.923 1.00 0.00 H new ATOM 0 HA LEU A 24 0.107 -14.747 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.344 -14.179 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.045 -15.608 0.359 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.290 -14.851 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.589 -16.465 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.586 -15.086 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.732 -16.654 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.290 -17.247 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.777 -17.467 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.669 -16.438 1.104 1.00 0.00 H new ATOM 301 N LEU A 25 -1.879 -12.144 -0.633 1.00 0.00 N ATOM 302 CA LEU A 25 -2.635 -11.333 -1.581 1.00 0.00 C ATOM 303 C LEU A 25 -1.747 -10.874 -2.734 1.00 0.00 C ATOM 304 O LEU A 25 -2.226 -10.295 -3.708 1.00 0.00 O ATOM 305 CB LEU A 25 -3.240 -10.119 -0.875 1.00 0.00 C ATOM 306 CG LEU A 25 -4.476 -10.389 -0.016 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.776 -9.197 0.879 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.675 -10.714 -0.894 1.00 0.00 C ATOM 0 H LEU A 25 -1.792 -11.734 0.297 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.439 -11.947 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.473 -9.672 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.502 -9.378 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.271 -11.251 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.659 -9.408 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.925 -9.010 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.960 -8.317 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.545 -10.903 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.881 -9.872 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.459 -11.600 -1.491 1.00 0.00 H new ATOM 320 N PHE A 26 -0.450 -11.140 -2.617 1.00 0.00 N ATOM 321 CA PHE A 26 0.505 -10.756 -3.649 1.00 0.00 C ATOM 322 C PHE A 26 1.407 -11.930 -4.020 1.00 0.00 C ATOM 323 O PHE A 26 2.500 -12.084 -3.474 1.00 0.00 O ATOM 324 CB PHE A 26 1.355 -9.576 -3.174 1.00 0.00 C ATOM 325 CG PHE A 26 0.544 -8.391 -2.734 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.133 -8.268 -1.416 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.191 -7.402 -3.637 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.614 -7.179 -1.008 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.555 -6.311 -3.234 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.959 -6.200 -1.918 1.00 0.00 C ATOM 0 H PHE A 26 -0.037 -11.620 -1.818 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.056 -10.458 -4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.985 -9.902 -2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.021 -9.271 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.399 -9.031 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.502 -7.484 -4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.928 -7.094 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.822 -5.546 -3.948 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.544 -5.349 -1.601 1.00 0.00 H new ATOM 340 N ASP A 27 0.941 -12.755 -4.950 1.00 0.00 N ATOM 341 CA ASP A 27 1.704 -13.916 -5.395 1.00 0.00 C ATOM 342 C ASP A 27 2.403 -14.590 -4.219 1.00 0.00 C ATOM 343 O ASP A 27 3.431 -15.244 -4.387 1.00 0.00 O ATOM 344 CB ASP A 27 2.734 -13.503 -6.448 1.00 0.00 C ATOM 345 CG ASP A 27 3.202 -14.673 -7.290 1.00 0.00 C ATOM 346 OD1 ASP A 27 3.981 -15.501 -6.774 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.790 -14.760 -8.466 1.00 0.00 O ATOM 0 H ASP A 27 0.038 -12.642 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 27 1.009 -14.629 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.301 -12.742 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.593 -13.049 -5.954 1.00 0.00 H new ATOM 352 N GLY A 28 1.838 -14.424 -3.027 1.00 0.00 N ATOM 353 CA GLY A 28 2.421 -15.021 -1.840 1.00 0.00 C ATOM 354 C GLY A 28 3.929 -14.873 -1.797 1.00 0.00 C ATOM 355 O GLY A 28 4.661 -15.854 -1.933 1.00 0.00 O ATOM 0 H GLY A 28 0.987 -13.887 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.988 -14.557 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.162 -16.079 -1.805 1.00 0.00 H new ATOM 359 N VAL A 29 4.396 -13.643 -1.611 1.00 0.00 N ATOM 360 CA VAL A 29 5.827 -13.369 -1.552 1.00 0.00 C ATOM 361 C VAL A 29 6.144 -12.325 -0.487 1.00 0.00 C ATOM 362 O VAL A 29 5.338 -11.435 -0.215 1.00 0.00 O ATOM 363 CB VAL A 29 6.361 -12.879 -2.911 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.865 -12.659 -2.846 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.006 -13.868 -4.011 1.00 0.00 C ATOM 0 H VAL A 29 3.804 -12.820 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 29 6.318 -14.307 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 29 5.888 -11.925 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.224 -12.313 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.091 -11.910 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.359 -13.596 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.391 -13.506 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.450 -14.838 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.923 -13.970 -4.073 1.00 0.00 H new ATOM 375 N LYS A 30 7.324 -12.439 0.113 1.00 0.00 N ATOM 376 CA LYS A 30 7.750 -11.505 1.148 1.00 0.00 C ATOM 377 C LYS A 30 8.156 -10.166 0.539 1.00 0.00 C ATOM 378 O LYS A 30 7.537 -9.137 0.808 1.00 0.00 O ATOM 379 CB LYS A 30 8.919 -12.091 1.943 1.00 0.00 C ATOM 380 CG LYS A 30 8.561 -13.350 2.712 1.00 0.00 C ATOM 381 CD LYS A 30 8.818 -14.600 1.887 1.00 0.00 C ATOM 382 CE LYS A 30 8.587 -15.863 2.701 1.00 0.00 C ATOM 383 NZ LYS A 30 7.137 -16.125 2.918 1.00 0.00 N ATOM 0 H LYS A 30 8.003 -13.170 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 30 6.909 -11.338 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.737 -12.314 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.284 -11.339 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.144 -13.394 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.511 -13.314 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.163 -14.603 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.843 -14.588 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.037 -16.713 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.088 -15.771 3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.021 -16.994 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.713 -15.325 3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.663 -16.238 1.999 1.00 0.00 H new ATOM 397 N LYS A 31 9.198 -10.188 -0.285 1.00 0.00 N ATOM 398 CA LYS A 31 9.685 -8.977 -0.935 1.00 0.00 C ATOM 399 C LYS A 31 9.279 -8.949 -2.405 1.00 0.00 C ATOM 400 O LYS A 31 9.539 -9.894 -3.150 1.00 0.00 O ATOM 401 CB LYS A 31 11.208 -8.886 -0.814 1.00 0.00 C ATOM 402 CG LYS A 31 11.690 -8.612 0.600 1.00 0.00 C ATOM 403 CD LYS A 31 13.166 -8.252 0.627 1.00 0.00 C ATOM 404 CE LYS A 31 13.802 -8.605 1.963 1.00 0.00 C ATOM 405 NZ LYS A 31 15.246 -8.936 1.819 1.00 0.00 N ATOM 0 H LYS A 31 9.722 -11.032 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 31 9.235 -8.119 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.648 -9.819 -1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.570 -8.096 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.108 -7.798 1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.518 -9.491 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.685 -8.778 -0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.285 -7.185 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.688 -7.768 2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.277 -9.453 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.643 -9.171 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.354 -9.751 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.752 -8.118 1.423 1.00 0.00 H new ATOM 419 N HIS A 32 8.642 -7.857 -2.817 1.00 0.00 N ATOM 420 CA HIS A 32 8.202 -7.705 -4.200 1.00 0.00 C ATOM 421 C HIS A 32 8.870 -6.499 -4.853 1.00 0.00 C ATOM 422 O HIS A 32 8.729 -5.370 -4.383 1.00 0.00 O ATOM 423 CB HIS A 32 6.682 -7.555 -4.260 1.00 0.00 C ATOM 424 CG HIS A 32 5.957 -8.382 -3.243 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.226 -9.505 -3.569 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.856 -8.246 -1.900 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.705 -10.022 -2.470 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.073 -9.277 -1.444 1.00 0.00 N ATOM 0 H HIS A 32 8.419 -7.065 -2.214 1.00 0.00 H new ATOM 0 HA HIS A 32 8.493 -8.601 -4.749 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.423 -6.506 -4.115 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.337 -7.834 -5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.308 -7.471 -1.299 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.084 -10.904 -2.420 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.817 -9.441 -0.470 1.00 0.00 H new ATOM 437 N GLN A 33 9.598 -6.746 -5.937 1.00 0.00 N ATOM 438 CA GLN A 33 10.289 -5.680 -6.652 1.00 0.00 C ATOM 439 C GLN A 33 9.346 -4.975 -7.621 1.00 0.00 C ATOM 440 O GLN A 33 8.763 -5.604 -8.504 1.00 0.00 O ATOM 441 CB GLN A 33 11.492 -6.242 -7.411 1.00 0.00 C ATOM 442 CG GLN A 33 11.168 -7.478 -8.235 1.00 0.00 C ATOM 443 CD GLN A 33 12.321 -7.906 -9.122 1.00 0.00 C ATOM 444 OE1 GLN A 33 13.405 -8.231 -8.638 1.00 0.00 O ATOM 445 NE2 GLN A 33 12.092 -7.909 -10.430 1.00 0.00 N ATOM 0 H GLN A 33 9.725 -7.675 -6.339 1.00 0.00 H new ATOM 0 HA GLN A 33 10.639 -4.953 -5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.888 -5.470 -8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.279 -6.487 -6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.905 -8.298 -7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.293 -7.279 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.178 -7.632 -10.788 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.830 -8.188 -11.076 1.00 0.00 H new ATOM 454 N VAL A 34 9.201 -3.665 -7.451 1.00 0.00 N ATOM 455 CA VAL A 34 8.329 -2.873 -8.311 1.00 0.00 C ATOM 456 C VAL A 34 9.127 -1.845 -9.105 1.00 0.00 C ATOM 457 O VAL A 34 10.160 -1.357 -8.647 1.00 0.00 O ATOM 458 CB VAL A 34 7.245 -2.146 -7.494 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.268 -1.435 -8.418 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.517 -3.124 -6.585 1.00 0.00 C ATOM 0 H VAL A 34 9.676 -3.129 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 34 7.849 -3.567 -9.001 1.00 0.00 H new ATOM 0 HB VAL A 34 7.728 -1.396 -6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.509 -0.927 -7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.805 -0.704 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.789 -2.164 -9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.755 -2.593 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.045 -3.899 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.229 -3.582 -5.899 1.00 0.00 H new ATOM 470 N ALA A 35 8.641 -1.521 -10.299 1.00 0.00 N ATOM 471 CA ALA A 35 9.307 -0.549 -11.157 1.00 0.00 C ATOM 472 C ALA A 35 8.305 0.433 -11.755 1.00 0.00 C ATOM 473 O ALA A 35 7.704 0.166 -12.796 1.00 0.00 O ATOM 474 CB ALA A 35 10.076 -1.259 -12.261 1.00 0.00 C ATOM 0 H ALA A 35 7.788 -1.918 -10.694 1.00 0.00 H new ATOM 0 HA ALA A 35 10.010 0.017 -10.546 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.568 -0.521 -12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.825 -1.915 -11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.386 -1.850 -12.863 1.00 0.00 H new ATOM 480 N LEU A 36 8.129 1.570 -11.090 1.00 0.00 N ATOM 481 CA LEU A 36 7.198 2.592 -11.556 1.00 0.00 C ATOM 482 C LEU A 36 7.727 3.277 -12.812 1.00 0.00 C ATOM 483 O LEU A 36 8.933 3.426 -13.007 1.00 0.00 O ATOM 484 CB LEU A 36 6.959 3.630 -10.458 1.00 0.00 C ATOM 485 CG LEU A 36 6.490 3.084 -9.108 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.401 4.202 -8.082 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.148 2.382 -9.254 1.00 0.00 C ATOM 0 H LEU A 36 8.618 1.807 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 36 6.254 2.105 -11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.885 4.184 -10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.217 4.344 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 36 7.222 2.356 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.066 3.795 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.382 4.660 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.691 4.955 -8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.830 2.000 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.406 3.089 -9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.245 1.554 -9.956 1.00 0.00 H new ATOM 499 N PRO A 37 6.803 3.707 -13.685 1.00 0.00 N ATOM 500 CA PRO A 37 7.152 4.386 -14.936 1.00 0.00 C ATOM 501 C PRO A 37 7.719 5.781 -14.700 1.00 0.00 C ATOM 502 O PRO A 37 7.909 6.200 -13.559 1.00 0.00 O ATOM 503 CB PRO A 37 5.816 4.470 -15.678 1.00 0.00 C ATOM 504 CG PRO A 37 4.783 4.434 -14.605 1.00 0.00 C ATOM 505 CD PRO A 37 5.347 3.563 -13.517 1.00 0.00 C ATOM 0 HA PRO A 37 7.928 3.854 -15.486 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.746 5.386 -16.264 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.695 3.638 -16.372 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.572 5.436 -14.233 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.843 4.029 -14.981 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.022 3.892 -12.530 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.030 2.526 -13.628 1.00 0.00 H new ATOM 513 N GLY A 38 7.987 6.498 -15.787 1.00 0.00 N ATOM 514 CA GLY A 38 8.530 7.840 -15.676 1.00 0.00 C ATOM 515 C GLY A 38 7.582 8.894 -16.211 1.00 0.00 C ATOM 516 O GLY A 38 7.046 8.756 -17.310 1.00 0.00 O ATOM 0 H GLY A 38 7.838 6.174 -16.743 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.753 8.053 -14.631 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.473 7.894 -16.220 1.00 0.00 H new ATOM 520 N GLN A 39 7.373 9.951 -15.432 1.00 0.00 N ATOM 521 CA GLN A 39 6.481 11.032 -15.834 1.00 0.00 C ATOM 522 C GLN A 39 6.892 12.347 -15.180 1.00 0.00 C ATOM 523 O GLN A 39 7.831 12.390 -14.386 1.00 0.00 O ATOM 524 CB GLN A 39 5.036 10.693 -15.463 1.00 0.00 C ATOM 525 CG GLN A 39 4.893 10.063 -14.088 1.00 0.00 C ATOM 526 CD GLN A 39 3.482 10.168 -13.542 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.534 10.420 -14.285 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.337 9.975 -12.236 1.00 0.00 N ATOM 0 H GLN A 39 7.809 10.081 -14.519 1.00 0.00 H new ATOM 0 HA GLN A 39 6.553 11.147 -16.916 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.437 11.603 -15.501 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.628 10.012 -16.210 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.181 9.013 -14.142 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.583 10.547 -13.397 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.151 9.768 -11.658 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.411 10.033 -11.811 1.00 0.00 H new ATOM 537 N GLU A 40 6.181 13.418 -15.520 1.00 0.00 N ATOM 538 CA GLU A 40 6.473 14.735 -14.966 1.00 0.00 C ATOM 539 C GLU A 40 6.218 14.761 -13.462 1.00 0.00 C ATOM 540 O GLU A 40 6.957 15.395 -12.708 1.00 0.00 O ATOM 541 CB GLU A 40 5.622 15.803 -15.657 1.00 0.00 C ATOM 542 CG GLU A 40 5.850 15.886 -17.157 1.00 0.00 C ATOM 543 CD GLU A 40 4.757 16.657 -17.871 1.00 0.00 C ATOM 544 OE1 GLU A 40 4.850 17.902 -17.928 1.00 0.00 O ATOM 545 OE2 GLU A 40 3.809 16.018 -18.372 1.00 0.00 O ATOM 0 H GLU A 40 5.400 13.399 -16.176 1.00 0.00 H new ATOM 0 HA GLU A 40 7.527 14.950 -15.142 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.569 15.594 -15.469 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.839 16.773 -15.211 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.811 16.363 -17.349 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.907 14.878 -17.568 1.00 0.00 H new ATOM 552 N GLU A 41 5.167 14.069 -13.033 1.00 0.00 N ATOM 553 CA GLU A 41 4.815 14.014 -11.619 1.00 0.00 C ATOM 554 C GLU A 41 5.398 12.768 -10.960 1.00 0.00 C ATOM 555 O GLU A 41 5.307 11.658 -11.485 1.00 0.00 O ATOM 556 CB GLU A 41 3.294 14.030 -11.449 1.00 0.00 C ATOM 557 CG GLU A 41 2.656 15.363 -11.803 1.00 0.00 C ATOM 558 CD GLU A 41 2.680 16.346 -10.649 1.00 0.00 C ATOM 559 OE1 GLU A 41 3.745 16.487 -10.012 1.00 0.00 O ATOM 560 OE2 GLU A 41 1.634 16.975 -10.382 1.00 0.00 O ATOM 0 H GLU A 41 4.545 13.539 -13.644 1.00 0.00 H new ATOM 0 HA GLU A 41 5.238 14.892 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.859 13.251 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.050 13.783 -10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.179 15.797 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.624 15.197 -12.112 1.00 0.00 H new ATOM 567 N PRO A 42 6.013 12.954 -9.783 1.00 0.00 N ATOM 568 CA PRO A 42 6.623 11.856 -9.027 1.00 0.00 C ATOM 569 C PRO A 42 5.584 10.904 -8.445 1.00 0.00 C ATOM 570 O PRO A 42 4.510 11.328 -8.018 1.00 0.00 O ATOM 571 CB PRO A 42 7.377 12.575 -7.905 1.00 0.00 C ATOM 572 CG PRO A 42 6.657 13.868 -7.732 1.00 0.00 C ATOM 573 CD PRO A 42 6.158 14.249 -9.098 1.00 0.00 C ATOM 0 HA PRO A 42 7.258 11.232 -9.656 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.368 11.991 -6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.422 12.736 -8.170 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.830 13.763 -7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.321 14.634 -7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.210 14.783 -9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.862 14.900 -9.616 1.00 0.00 H new ATOM 581 N TRP A 43 5.910 9.617 -8.432 1.00 0.00 N ATOM 582 CA TRP A 43 5.004 8.604 -7.901 1.00 0.00 C ATOM 583 C TRP A 43 4.806 8.783 -6.400 1.00 0.00 C ATOM 584 O TRP A 43 5.703 8.491 -5.608 1.00 0.00 O ATOM 585 CB TRP A 43 5.543 7.204 -8.195 1.00 0.00 C ATOM 586 CG TRP A 43 5.146 6.684 -9.543 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.824 6.848 -10.717 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.977 5.918 -9.856 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.147 6.230 -11.741 1.00 0.00 N ATOM 590 CE2 TRP A 43 4.011 5.652 -11.238 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.906 5.430 -9.102 1.00 0.00 C ATOM 592 CZ2 TRP A 43 3.015 4.920 -11.880 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.918 4.705 -9.741 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.979 4.455 -11.118 1.00 0.00 C ATOM 0 H TRP A 43 6.795 9.250 -8.783 1.00 0.00 H new ATOM 0 HA TRP A 43 4.038 8.723 -8.391 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.631 7.220 -8.126 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.185 6.517 -7.429 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.755 7.384 -10.825 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.442 6.206 -12.717 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.852 5.616 -8.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.059 4.727 -12.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.085 4.325 -9.169 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.192 3.883 -11.587 1.00 0.00 H new ATOM 605 N ASP A 44 3.629 9.263 -6.016 1.00 0.00 N ATOM 606 CA ASP A 44 3.314 9.479 -4.608 1.00 0.00 C ATOM 607 C ASP A 44 2.527 8.302 -4.041 1.00 0.00 C ATOM 608 O ASP A 44 1.874 7.565 -4.780 1.00 0.00 O ATOM 609 CB ASP A 44 2.517 10.773 -4.434 1.00 0.00 C ATOM 610 CG ASP A 44 1.613 11.059 -5.617 1.00 0.00 C ATOM 611 OD1 ASP A 44 0.544 10.420 -5.715 1.00 0.00 O ATOM 612 OD2 ASP A 44 1.974 11.922 -6.444 1.00 0.00 O ATOM 0 H ASP A 44 2.877 9.510 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 44 4.252 9.563 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.915 10.706 -3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.207 11.606 -4.298 1.00 0.00 H new ATOM 617 N ILE A 45 2.595 8.131 -2.725 1.00 0.00 N ATOM 618 CA ILE A 45 1.889 7.043 -2.059 1.00 0.00 C ATOM 619 C ILE A 45 0.471 6.896 -2.600 1.00 0.00 C ATOM 620 O ILE A 45 0.037 5.796 -2.943 1.00 0.00 O ATOM 621 CB ILE A 45 1.825 7.263 -0.536 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.236 7.387 0.043 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.071 6.123 0.133 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.047 6.114 -0.064 1.00 0.00 C ATOM 0 H ILE A 45 3.132 8.732 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 45 2.450 6.131 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 45 1.289 8.192 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.763 8.189 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.166 7.676 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.034 6.293 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.056 6.077 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.582 5.181 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.036 6.275 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.542 5.314 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.149 5.834 -1.113 1.00 0.00 H new ATOM 636 N ARG A 46 -0.247 8.012 -2.675 1.00 0.00 N ATOM 637 CA ARG A 46 -1.616 8.008 -3.175 1.00 0.00 C ATOM 638 C ARG A 46 -1.728 7.172 -4.446 1.00 0.00 C ATOM 639 O ARG A 46 -2.470 6.191 -4.492 1.00 0.00 O ATOM 640 CB ARG A 46 -2.086 9.438 -3.449 1.00 0.00 C ATOM 641 CG ARG A 46 -3.585 9.628 -3.288 1.00 0.00 C ATOM 642 CD ARG A 46 -4.322 9.381 -4.595 1.00 0.00 C ATOM 643 NE ARG A 46 -4.435 10.596 -5.398 1.00 0.00 N ATOM 644 CZ ARG A 46 -5.351 11.534 -5.185 1.00 0.00 C ATOM 645 NH1 ARG A 46 -6.227 11.399 -4.199 1.00 0.00 N ATOM 646 NH2 ARG A 46 -5.390 12.612 -5.958 1.00 0.00 N ATOM 0 H ARG A 46 0.097 8.931 -2.396 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.254 7.564 -2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.568 10.118 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.800 9.717 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.959 8.947 -2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.789 10.641 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.798 8.616 -5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.318 8.993 -4.382 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.775 10.731 -6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.199 10.573 -3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.929 12.121 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.716 12.721 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.094 13.332 -5.794 1.00 0.00 H new ATOM 660 N ASN A 47 -0.987 7.567 -5.476 1.00 0.00 N ATOM 661 CA ASN A 47 -1.004 6.854 -6.748 1.00 0.00 C ATOM 662 C ASN A 47 -0.456 5.440 -6.587 1.00 0.00 C ATOM 663 O ASN A 47 -1.054 4.473 -7.059 1.00 0.00 O ATOM 664 CB ASN A 47 -0.185 7.615 -7.793 1.00 0.00 C ATOM 665 CG ASN A 47 -1.020 8.622 -8.560 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.469 8.353 -9.674 1.00 0.00 O ATOM 667 ND2 ASN A 47 -1.231 9.791 -7.965 1.00 0.00 N ATOM 0 H ASN A 47 -0.367 8.377 -5.455 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.038 6.787 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.639 8.131 -7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.256 6.905 -8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.785 10.509 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.839 9.971 -7.041 1.00 0.00 H new ATOM 674 N LEU A 48 0.685 5.327 -5.916 1.00 0.00 N ATOM 675 CA LEU A 48 1.315 4.030 -5.691 1.00 0.00 C ATOM 676 C LEU A 48 0.272 2.968 -5.360 1.00 0.00 C ATOM 677 O LEU A 48 0.211 1.920 -6.004 1.00 0.00 O ATOM 678 CB LEU A 48 2.337 4.128 -4.557 1.00 0.00 C ATOM 679 CG LEU A 48 3.058 2.831 -4.189 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.323 2.670 -5.017 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.384 2.804 -2.703 1.00 0.00 C ATOM 0 H LEU A 48 1.193 6.117 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 48 1.826 3.738 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.086 4.871 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.829 4.502 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 48 2.395 1.995 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.823 1.741 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.064 2.642 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.991 3.511 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.897 1.873 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.028 3.648 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.461 2.871 -2.127 1.00 0.00 H new ATOM 693 N LEU A 49 -0.550 3.247 -4.354 1.00 0.00 N ATOM 694 CA LEU A 49 -1.594 2.316 -3.938 1.00 0.00 C ATOM 695 C LEU A 49 -2.327 1.745 -5.148 1.00 0.00 C ATOM 696 O LEU A 49 -2.184 0.567 -5.474 1.00 0.00 O ATOM 697 CB LEU A 49 -2.587 3.015 -3.008 1.00 0.00 C ATOM 698 CG LEU A 49 -2.266 2.953 -1.515 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.011 1.517 -1.083 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.067 3.831 -1.190 1.00 0.00 C ATOM 0 H LEU A 49 -0.514 4.110 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.121 1.493 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.653 4.063 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.572 2.577 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.127 3.330 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.784 1.493 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.898 0.915 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.168 1.113 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.853 3.774 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.200 3.485 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.288 4.863 -1.461 1.00 0.00 H new ATOM 712 N VAL A 50 -3.112 2.589 -5.810 1.00 0.00 N ATOM 713 CA VAL A 50 -3.865 2.170 -6.986 1.00 0.00 C ATOM 714 C VAL A 50 -3.094 1.128 -7.790 1.00 0.00 C ATOM 715 O VAL A 50 -3.673 0.164 -8.292 1.00 0.00 O ATOM 716 CB VAL A 50 -4.193 3.366 -7.899 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.864 2.893 -9.179 1.00 0.00 C ATOM 718 CG2 VAL A 50 -5.071 4.369 -7.166 1.00 0.00 C ATOM 0 H VAL A 50 -3.243 3.567 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.796 1.732 -6.626 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.261 3.862 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.088 3.752 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.196 2.215 -9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.789 2.372 -8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.293 5.208 -7.825 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.001 3.887 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.548 4.732 -6.281 1.00 0.00 H new ATOM 728 N TRP A 51 -1.787 1.328 -7.907 1.00 0.00 N ATOM 729 CA TRP A 51 -0.936 0.405 -8.650 1.00 0.00 C ATOM 730 C TRP A 51 -0.837 -0.938 -7.936 1.00 0.00 C ATOM 731 O TRP A 51 -1.229 -1.971 -8.480 1.00 0.00 O ATOM 732 CB TRP A 51 0.460 1.003 -8.834 1.00 0.00 C ATOM 733 CG TRP A 51 1.325 0.213 -9.770 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.548 0.469 -11.093 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.080 -0.961 -9.454 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.396 -0.475 -11.618 1.00 0.00 N ATOM 737 CE2 TRP A 51 2.738 -1.363 -10.633 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.266 -1.711 -8.289 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.566 -2.482 -10.678 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.088 -2.821 -8.336 1.00 0.00 C ATOM 741 CH2 TRP A 51 3.730 -3.198 -9.524 1.00 0.00 C ATOM 0 H TRP A 51 -1.293 2.121 -7.497 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.386 0.242 -9.629 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.365 2.021 -9.211 1.00 0.00 H new ATOM 0 HB3 TRP A 51 0.951 1.067 -7.863 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.120 1.293 -11.645 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.719 -0.509 -12.585 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.776 -1.428 -7.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.061 -2.774 -11.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.238 -3.408 -7.442 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.366 -4.071 -9.528 1.00 0.00 H new ATOM 752 N ILE A 52 -0.311 -0.918 -6.716 1.00 0.00 N ATOM 753 CA ILE A 52 -0.163 -2.135 -5.928 1.00 0.00 C ATOM 754 C ILE A 52 -1.504 -2.837 -5.743 1.00 0.00 C ATOM 755 O ILE A 52 -1.559 -4.045 -5.511 1.00 0.00 O ATOM 756 CB ILE A 52 0.445 -1.840 -4.544 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.803 -1.153 -4.696 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.581 -3.124 -3.741 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.443 -0.781 -3.376 1.00 0.00 C ATOM 0 H ILE A 52 0.020 -0.072 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 52 0.513 -2.788 -6.480 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.223 -1.167 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.476 -1.813 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.680 -0.252 -5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.012 -2.899 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.402 -3.576 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.231 -3.819 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.403 -0.298 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.790 -0.096 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.598 -1.681 -2.780 1.00 0.00 H new ATOM 771 N LYS A 53 -2.585 -2.072 -5.848 1.00 0.00 N ATOM 772 CA LYS A 53 -3.928 -2.619 -5.696 1.00 0.00 C ATOM 773 C LYS A 53 -4.366 -3.348 -6.962 1.00 0.00 C ATOM 774 O LYS A 53 -5.338 -4.103 -6.952 1.00 0.00 O ATOM 775 CB LYS A 53 -4.922 -1.503 -5.368 1.00 0.00 C ATOM 776 CG LYS A 53 -4.811 -0.989 -3.943 1.00 0.00 C ATOM 777 CD LYS A 53 -5.519 0.344 -3.774 1.00 0.00 C ATOM 778 CE LYS A 53 -7.031 0.175 -3.765 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.605 0.248 -5.138 1.00 0.00 N ATOM 0 H LYS A 53 -2.557 -1.070 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.910 -3.334 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.765 -0.674 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.935 -1.869 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.240 -1.719 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.760 -0.880 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.199 0.812 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.232 1.015 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.287 -0.784 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.479 0.949 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.460 0.840 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.905 0.663 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.852 -0.709 -5.463 1.00 0.00 H new ATOM 793 N LYS A 54 -3.641 -3.118 -8.052 1.00 0.00 N ATOM 794 CA LYS A 54 -3.952 -3.754 -9.327 1.00 0.00 C ATOM 795 C LYS A 54 -2.752 -4.536 -9.851 1.00 0.00 C ATOM 796 O LYS A 54 -2.755 -5.767 -9.854 1.00 0.00 O ATOM 797 CB LYS A 54 -4.378 -2.703 -10.354 1.00 0.00 C ATOM 798 CG LYS A 54 -5.695 -2.025 -10.020 1.00 0.00 C ATOM 799 CD LYS A 54 -6.148 -1.103 -11.140 1.00 0.00 C ATOM 800 CE LYS A 54 -5.289 0.151 -11.211 1.00 0.00 C ATOM 801 NZ LYS A 54 -6.027 1.295 -11.814 1.00 0.00 N ATOM 0 H LYS A 54 -2.833 -2.495 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.775 -4.450 -9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.598 -1.945 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.460 -3.176 -11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.459 -2.781 -9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.587 -1.453 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.099 -1.633 -12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.190 -0.823 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.957 0.421 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.394 -0.054 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.408 2.130 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.322 1.047 -12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.867 1.508 -11.239 1.00 0.00 H new ATOM 815 N ASN A 55 -1.728 -3.814 -10.293 1.00 0.00 N ATOM 816 CA ASN A 55 -0.521 -4.441 -10.819 1.00 0.00 C ATOM 817 C ASN A 55 -0.075 -5.596 -9.928 1.00 0.00 C ATOM 818 O ASN A 55 -0.082 -6.755 -10.344 1.00 0.00 O ATOM 819 CB ASN A 55 0.604 -3.411 -10.939 1.00 0.00 C ATOM 820 CG ASN A 55 0.368 -2.426 -12.068 1.00 0.00 C ATOM 821 OD1 ASN A 55 0.790 -2.653 -13.203 1.00 0.00 O ATOM 822 ND2 ASN A 55 -0.308 -1.325 -11.762 1.00 0.00 N ATOM 0 H ASN A 55 -1.710 -2.794 -10.297 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.749 -4.836 -11.809 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.696 -2.867 -9.999 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.550 -3.927 -11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.497 -0.626 -12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.639 -1.178 -10.808 1.00 0.00 H new ATOM 829 N LEU A 56 0.312 -5.272 -8.699 1.00 0.00 N ATOM 830 CA LEU A 56 0.761 -6.282 -7.747 1.00 0.00 C ATOM 831 C LEU A 56 -0.399 -7.168 -7.305 1.00 0.00 C ATOM 832 O LEU A 56 -0.448 -8.354 -7.632 1.00 0.00 O ATOM 833 CB LEU A 56 1.400 -5.613 -6.528 1.00 0.00 C ATOM 834 CG LEU A 56 2.520 -6.398 -5.842 1.00 0.00 C ATOM 835 CD1 LEU A 56 3.777 -6.391 -6.697 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.807 -5.822 -4.463 1.00 0.00 C ATOM 0 H LEU A 56 0.324 -4.318 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 56 1.504 -6.908 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.797 -4.646 -6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.618 -5.418 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 56 2.193 -7.431 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.563 -6.954 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.563 -6.850 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.108 -5.364 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.606 -6.392 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.113 -4.780 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.908 -5.880 -3.850 1.00 0.00 H new ATOM 848 N LEU A 57 -1.332 -6.584 -6.562 1.00 0.00 N ATOM 849 CA LEU A 57 -2.495 -7.319 -6.077 1.00 0.00 C ATOM 850 C LEU A 57 -3.375 -7.774 -7.237 1.00 0.00 C ATOM 851 O LEU A 57 -3.801 -6.965 -8.061 1.00 0.00 O ATOM 852 CB LEU A 57 -3.308 -6.451 -5.115 1.00 0.00 C ATOM 853 CG LEU A 57 -4.599 -7.071 -4.578 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.330 -7.832 -3.289 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.654 -5.997 -4.356 1.00 0.00 C ATOM 0 H LEU A 57 -1.306 -5.604 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.139 -8.202 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.674 -6.191 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.560 -5.520 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.977 -7.775 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.260 -8.266 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.609 -8.627 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.928 -7.149 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.566 -6.456 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.285 -5.268 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.868 -5.497 -5.300 1.00 0.00 H new ATOM 867 N LYS A 58 -3.645 -9.074 -7.294 1.00 0.00 N ATOM 868 CA LYS A 58 -4.477 -9.637 -8.350 1.00 0.00 C ATOM 869 C LYS A 58 -5.830 -10.078 -7.800 1.00 0.00 C ATOM 870 O LYS A 58 -6.788 -10.251 -8.552 1.00 0.00 O ATOM 871 CB LYS A 58 -3.769 -10.825 -9.006 1.00 0.00 C ATOM 872 CG LYS A 58 -2.467 -10.453 -9.693 1.00 0.00 C ATOM 873 CD LYS A 58 -2.693 -10.068 -11.146 1.00 0.00 C ATOM 874 CE LYS A 58 -2.609 -11.278 -12.063 1.00 0.00 C ATOM 875 NZ LYS A 58 -3.841 -12.111 -11.996 1.00 0.00 N ATOM 0 H LYS A 58 -3.299 -9.758 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.644 -8.863 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.567 -11.581 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.439 -11.278 -9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.000 -9.622 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.775 -11.293 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.671 -9.598 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.950 -9.329 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.451 -10.946 -13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.746 -11.884 -11.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.929 -12.671 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.784 -12.750 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.672 -11.494 -11.896 1.00 0.00 H new ATOM 889 N GLU A 59 -5.899 -10.256 -6.485 1.00 0.00 N ATOM 890 CA GLU A 59 -7.136 -10.676 -5.836 1.00 0.00 C ATOM 891 C GLU A 59 -8.066 -9.487 -5.615 1.00 0.00 C ATOM 892 O GLU A 59 -7.775 -8.370 -6.044 1.00 0.00 O ATOM 893 CB GLU A 59 -6.831 -11.355 -4.499 1.00 0.00 C ATOM 894 CG GLU A 59 -6.399 -12.805 -4.637 1.00 0.00 C ATOM 895 CD GLU A 59 -7.241 -13.572 -5.638 1.00 0.00 C ATOM 896 OE1 GLU A 59 -8.472 -13.365 -5.659 1.00 0.00 O ATOM 897 OE2 GLU A 59 -6.669 -14.378 -6.401 1.00 0.00 O ATOM 0 H GLU A 59 -5.114 -10.116 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.636 -11.389 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.045 -10.798 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.717 -11.307 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.354 -12.841 -4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.463 -13.293 -3.665 1.00 0.00 H new ATOM 904 N ARG A 60 -9.185 -9.735 -4.944 1.00 0.00 N ATOM 905 CA ARG A 60 -10.159 -8.686 -4.667 1.00 0.00 C ATOM 906 C ARG A 60 -9.506 -7.519 -3.932 1.00 0.00 C ATOM 907 O ARG A 60 -8.964 -7.668 -2.837 1.00 0.00 O ATOM 908 CB ARG A 60 -11.318 -9.242 -3.837 1.00 0.00 C ATOM 909 CG ARG A 60 -12.303 -10.070 -4.645 1.00 0.00 C ATOM 910 CD ARG A 60 -13.411 -9.206 -5.227 1.00 0.00 C ATOM 911 NE ARG A 60 -14.600 -9.988 -5.554 1.00 0.00 N ATOM 912 CZ ARG A 60 -15.786 -9.449 -5.813 1.00 0.00 C ATOM 913 NH1 ARG A 60 -15.940 -8.132 -5.785 1.00 0.00 N ATOM 914 NH2 ARG A 60 -16.821 -10.227 -6.103 1.00 0.00 N ATOM 0 H ARG A 60 -9.440 -10.654 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.545 -8.323 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.915 -9.856 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.850 -8.413 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.776 -10.580 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.738 -10.842 -4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.675 -8.426 -4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.047 -8.706 -6.125 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.515 -11.004 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.147 -7.530 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.852 -7.721 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.706 -11.240 -6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.731 -9.812 -6.302 1.00 0.00 H new ATOM 928 N PRO A 61 -9.559 -6.328 -4.547 1.00 0.00 N ATOM 929 CA PRO A 61 -8.978 -5.112 -3.969 1.00 0.00 C ATOM 930 C PRO A 61 -9.750 -4.625 -2.747 1.00 0.00 C ATOM 931 O PRO A 61 -9.224 -3.870 -1.930 1.00 0.00 O ATOM 932 CB PRO A 61 -9.081 -4.094 -5.107 1.00 0.00 C ATOM 933 CG PRO A 61 -10.216 -4.575 -5.944 1.00 0.00 C ATOM 934 CD PRO A 61 -10.190 -6.076 -5.853 1.00 0.00 C ATOM 0 HA PRO A 61 -7.960 -5.275 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.268 -3.091 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.156 -4.048 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.164 -4.178 -5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.107 -4.245 -6.977 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.193 -6.499 -5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.617 -6.518 -6.668 1.00 0.00 H new ATOM 942 N GLU A 62 -11.000 -5.063 -2.629 1.00 0.00 N ATOM 943 CA GLU A 62 -11.843 -4.670 -1.506 1.00 0.00 C ATOM 944 C GLU A 62 -11.588 -5.564 -0.295 1.00 0.00 C ATOM 945 O GLU A 62 -12.476 -5.778 0.531 1.00 0.00 O ATOM 946 CB GLU A 62 -13.319 -4.737 -1.900 1.00 0.00 C ATOM 947 CG GLU A 62 -13.746 -6.094 -2.435 1.00 0.00 C ATOM 948 CD GLU A 62 -15.206 -6.127 -2.844 1.00 0.00 C ATOM 949 OE1 GLU A 62 -16.074 -6.107 -1.946 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.480 -6.173 -4.061 1.00 0.00 O ATOM 0 H GLU A 62 -11.450 -5.689 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.592 -3.644 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.930 -4.490 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.519 -3.978 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.126 -6.353 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.569 -6.853 -1.673 1.00 0.00 H new ATOM 957 N LEU A 63 -10.369 -6.084 -0.197 1.00 0.00 N ATOM 958 CA LEU A 63 -9.996 -6.955 0.911 1.00 0.00 C ATOM 959 C LEU A 63 -8.726 -6.455 1.593 1.00 0.00 C ATOM 960 O LEU A 63 -8.552 -6.617 2.801 1.00 0.00 O ATOM 961 CB LEU A 63 -9.791 -8.387 0.414 1.00 0.00 C ATOM 962 CG LEU A 63 -11.028 -9.286 0.431 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.259 -8.509 -0.006 1.00 0.00 C ATOM 964 CD2 LEU A 63 -10.816 -10.500 -0.462 1.00 0.00 C ATOM 0 H LEU A 63 -9.623 -5.917 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.807 -6.942 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.411 -8.345 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.018 -8.855 1.023 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.187 -9.633 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.129 -9.165 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.421 -7.672 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.111 -8.131 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.706 -11.129 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.631 -10.172 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.959 -11.070 -0.103 1.00 0.00 H new ATOM 976 N PHE A 64 -7.842 -5.845 0.811 1.00 0.00 N ATOM 977 CA PHE A 64 -6.588 -5.320 1.339 1.00 0.00 C ATOM 978 C PHE A 64 -6.683 -3.814 1.571 1.00 0.00 C ATOM 979 O PHE A 64 -6.565 -3.341 2.701 1.00 0.00 O ATOM 980 CB PHE A 64 -5.437 -5.628 0.379 1.00 0.00 C ATOM 981 CG PHE A 64 -4.085 -5.274 0.931 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.674 -5.767 2.159 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.227 -4.450 0.222 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.431 -5.442 2.670 1.00 0.00 C ATOM 985 CE2 PHE A 64 -1.983 -4.122 0.727 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.584 -4.620 1.952 1.00 0.00 C ATOM 0 H PHE A 64 -7.971 -5.702 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.394 -5.806 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.454 -6.690 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.595 -5.083 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.332 -6.412 2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.534 -4.059 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.123 -5.830 3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.324 -3.477 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.611 -4.367 2.348 1.00 0.00 H new ATOM 996 N ILE A 65 -6.898 -3.069 0.492 1.00 0.00 N ATOM 997 CA ILE A 65 -7.010 -1.618 0.577 1.00 0.00 C ATOM 998 C ILE A 65 -8.265 -1.121 -0.132 1.00 0.00 C ATOM 999 O ILE A 65 -8.672 -1.674 -1.153 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.779 -0.922 -0.034 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.516 -1.297 0.743 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -5.974 0.587 -0.042 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.236 -1.032 -0.019 1.00 0.00 C ATOM 0 H ILE A 65 -6.998 -3.446 -0.451 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.071 -1.368 1.636 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.663 -1.260 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.495 -0.737 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.561 -2.354 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.096 1.065 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.854 0.837 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.112 0.941 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.382 -1.322 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.235 -1.612 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.168 0.029 -0.258 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.872 -0.073 0.416 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.080 0.499 -0.165 1.00 0.00 C ATOM 1017 C GLN A 66 -9.837 1.934 -0.623 1.00 0.00 C ATOM 1018 O GLN A 66 -9.844 2.863 0.183 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.226 0.462 0.847 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.600 0.342 0.208 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.678 -0.029 1.207 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.386 -0.487 2.312 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -14.934 0.169 0.823 1.00 0.00 N ATOM 0 H GLN A 66 -8.547 0.397 1.261 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.353 -0.100 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.075 -0.379 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.194 1.368 1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.860 1.288 -0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.566 -0.410 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.130 0.551 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.702 -0.061 1.453 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.623 2.107 -1.924 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.380 3.431 -2.467 1.00 0.00 C ATOM 1034 C GLY A 67 -7.902 3.742 -2.597 1.00 0.00 C ATOM 1035 O GLY A 67 -7.055 2.937 -2.210 1.00 0.00 O ATOM 0 H GLY A 67 -9.614 1.354 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.852 3.511 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.850 4.176 -1.824 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.592 4.911 -3.145 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.206 5.327 -3.327 1.00 0.00 C ATOM 1041 C ASP A 68 -5.456 5.313 -1.998 1.00 0.00 C ATOM 1042 O ASP A 68 -4.226 5.328 -1.969 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.147 6.725 -3.945 1.00 0.00 C ATOM 1044 CG ASP A 68 -6.642 6.745 -5.378 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.779 6.288 -5.619 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -5.892 7.216 -6.259 1.00 0.00 O ATOM 0 H ASP A 68 -8.282 5.588 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.726 4.619 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.748 7.410 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.121 7.090 -3.913 1.00 0.00 H new ATOM 1051 N SER A 69 -6.206 5.286 -0.902 1.00 0.00 N ATOM 1052 CA SER A 69 -5.613 5.275 0.430 1.00 0.00 C ATOM 1053 C SER A 69 -5.688 3.882 1.048 1.00 0.00 C ATOM 1054 O SER A 69 -6.558 3.083 0.700 1.00 0.00 O ATOM 1055 CB SER A 69 -6.320 6.286 1.335 1.00 0.00 C ATOM 1056 OG SER A 69 -5.811 7.593 1.137 1.00 0.00 O ATOM 0 H SER A 69 -7.226 5.271 -0.910 1.00 0.00 H new ATOM 0 HA SER A 69 -4.564 5.555 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.391 6.275 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.192 5.997 2.378 1.00 0.00 H new ATOM 0 HG SER A 69 -6.461 8.250 1.462 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.770 3.598 1.966 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.732 2.302 2.634 1.00 0.00 C ATOM 1064 C VAL A 70 -5.849 2.183 3.665 1.00 0.00 C ATOM 1065 O VAL A 70 -6.144 3.135 4.388 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.378 2.069 3.329 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.253 2.024 2.307 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.121 3.149 4.370 1.00 0.00 C ATOM 0 H VAL A 70 -4.043 4.248 2.264 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.871 1.544 1.864 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.412 1.106 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.304 1.859 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.433 1.211 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.214 2.970 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.160 2.969 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.107 4.125 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.912 3.127 5.120 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.464 1.007 3.729 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.549 0.763 4.672 1.00 0.00 C ATOM 1080 C ARG A 71 -7.163 1.220 6.075 1.00 0.00 C ATOM 1081 O ARG A 71 -5.989 1.419 6.389 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.912 -0.723 4.690 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.019 -1.092 3.716 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.399 -2.560 3.834 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.355 -2.793 4.913 1.00 0.00 N ATOM 1086 CZ ARG A 71 -10.843 -3.990 5.216 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -10.467 -5.058 4.526 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -11.710 -4.122 6.213 1.00 0.00 N ATOM 0 H ARG A 71 -6.230 0.208 3.139 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.416 1.338 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.023 -1.308 4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.219 -1.001 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.895 -0.472 3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.694 -0.880 2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.827 -2.901 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.502 -3.154 4.010 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.665 -1.992 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.801 -4.962 3.760 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.844 -5.976 4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.002 -3.303 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.084 -5.042 6.445 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.173 1.392 6.941 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.964 1.828 8.325 1.00 0.00 C ATOM 1104 C PRO A 72 -7.289 0.757 9.174 1.00 0.00 C ATOM 1105 O PRO A 72 -7.098 0.934 10.377 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.383 2.096 8.831 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.256 1.233 7.986 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.597 1.174 6.635 1.00 0.00 C ATOM 0 HA PRO A 72 -7.305 2.694 8.384 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.481 1.844 9.887 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.648 3.148 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.354 0.236 8.416 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.261 1.648 7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.761 0.212 6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.986 1.940 5.964 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.928 -0.355 8.540 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.278 -1.438 9.254 1.00 0.00 C ATOM 1118 C GLY A 73 -4.869 -1.696 8.758 1.00 0.00 C ATOM 1119 O GLY A 73 -4.005 -2.131 9.520 1.00 0.00 O ATOM 0 H GLY A 73 -7.074 -0.525 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.248 -1.201 10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.870 -2.347 9.146 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.637 -1.429 7.477 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.323 -1.636 6.880 1.00 0.00 C ATOM 1125 C ILE A 74 -2.356 -0.527 7.282 1.00 0.00 C ATOM 1126 O ILE A 74 -2.539 0.635 6.915 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.406 -1.698 5.344 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.593 -2.560 4.910 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.109 -2.243 4.765 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.461 -4.014 5.305 1.00 0.00 C ATOM 0 H ILE A 74 -5.341 -1.069 6.833 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.953 -2.591 7.254 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.556 -0.688 4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.505 -2.155 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.702 -2.495 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.183 -2.281 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.282 -1.593 5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.931 -3.247 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.338 -4.564 4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.567 -4.436 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.382 -4.091 6.389 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.326 -0.892 8.036 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.327 0.071 8.486 1.00 0.00 C ATOM 1144 C LEU A 75 0.911 0.028 7.597 1.00 0.00 C ATOM 1145 O LEU A 75 1.627 -0.972 7.559 1.00 0.00 O ATOM 1146 CB LEU A 75 0.064 -0.210 9.938 1.00 0.00 C ATOM 1147 CG LEU A 75 -1.033 0.003 10.982 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.714 -0.763 12.256 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -1.206 1.486 11.278 1.00 0.00 C ATOM 0 H LEU A 75 -1.160 -1.848 8.349 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.764 1.067 8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.408 -1.242 10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.911 0.426 10.195 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.971 -0.379 10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.506 -0.599 12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.641 -1.827 12.032 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.234 -0.412 12.664 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.991 1.619 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.270 1.892 11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.482 2.010 10.363 1.00 0.00 H new ATOM 1161 N VAL A 76 1.159 1.122 6.882 1.00 0.00 N ATOM 1162 CA VAL A 76 2.313 1.211 5.996 1.00 0.00 C ATOM 1163 C VAL A 76 3.499 1.857 6.701 1.00 0.00 C ATOM 1164 O VAL A 76 3.337 2.541 7.713 1.00 0.00 O ATOM 1165 CB VAL A 76 1.983 2.016 4.725 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.749 1.451 4.039 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.789 3.487 5.062 1.00 0.00 C ATOM 0 H VAL A 76 0.576 1.958 6.900 1.00 0.00 H new ATOM 0 HA VAL A 76 2.575 0.191 5.713 1.00 0.00 H new ATOM 0 HB VAL A 76 2.823 1.932 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.532 2.033 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.930 0.413 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.101 1.502 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.557 4.041 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.968 3.593 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.703 3.883 5.504 1.00 0.00 H new ATOM 1177 N LEU A 77 4.693 1.638 6.160 1.00 0.00 N ATOM 1178 CA LEU A 77 5.909 2.201 6.737 1.00 0.00 C ATOM 1179 C LEU A 77 6.969 2.422 5.663 1.00 0.00 C ATOM 1180 O LEU A 77 7.345 1.493 4.947 1.00 0.00 O ATOM 1181 CB LEU A 77 6.455 1.276 7.826 1.00 0.00 C ATOM 1182 CG LEU A 77 5.943 1.532 9.244 1.00 0.00 C ATOM 1183 CD1 LEU A 77 5.953 0.247 10.056 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.779 2.604 9.927 1.00 0.00 C ATOM 0 H LEU A 77 4.845 1.075 5.323 1.00 0.00 H new ATOM 0 HA LEU A 77 5.660 3.166 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.215 0.248 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.542 1.359 7.833 1.00 0.00 H new ATOM 0 HG LEU A 77 4.915 1.888 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.585 0.449 11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.310 -0.491 9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.971 -0.140 10.113 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.400 2.773 10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.817 2.277 9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.719 3.531 9.356 1.00 0.00 H new ATOM 1196 N ILE A 78 7.449 3.656 5.558 1.00 0.00 N ATOM 1197 CA ILE A 78 8.469 3.998 4.574 1.00 0.00 C ATOM 1198 C ILE A 78 9.865 3.931 5.183 1.00 0.00 C ATOM 1199 O ILE A 78 10.179 4.660 6.123 1.00 0.00 O ATOM 1200 CB ILE A 78 8.241 5.406 3.994 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.881 5.481 3.298 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.358 5.767 3.026 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.343 6.889 3.172 1.00 0.00 C ATOM 0 H ILE A 78 7.148 4.436 6.142 1.00 0.00 H new ATOM 0 HA ILE A 78 8.391 3.266 3.770 1.00 0.00 H new ATOM 0 HB ILE A 78 8.249 6.126 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.966 5.043 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.164 4.875 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.183 6.765 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.314 5.749 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.379 5.046 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.376 6.865 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.225 7.324 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.039 7.494 2.591 1.00 0.00 H new ATOM 1215 N ASN A 79 10.700 3.051 4.640 1.00 0.00 N ATOM 1216 CA ASN A 79 12.065 2.889 5.129 1.00 0.00 C ATOM 1217 C ASN A 79 12.092 2.823 6.653 1.00 0.00 C ATOM 1218 O ASN A 79 12.909 3.480 7.298 1.00 0.00 O ATOM 1219 CB ASN A 79 12.944 4.043 4.641 1.00 0.00 C ATOM 1220 CG ASN A 79 13.049 4.090 3.129 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.406 3.310 2.426 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.863 5.008 2.622 1.00 0.00 N ATOM 0 H ASN A 79 10.456 2.439 3.861 1.00 0.00 H new ATOM 0 HA ASN A 79 12.457 1.951 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.535 4.986 5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.941 3.943 5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.975 5.088 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.376 5.634 3.243 1.00 0.00 H new ATOM 1229 N ASP A 80 11.194 2.026 7.221 1.00 0.00 N ATOM 1230 CA ASP A 80 11.116 1.872 8.669 1.00 0.00 C ATOM 1231 C ASP A 80 10.783 3.202 9.340 1.00 0.00 C ATOM 1232 O ASP A 80 11.402 3.579 10.334 1.00 0.00 O ATOM 1233 CB ASP A 80 12.435 1.327 9.218 1.00 0.00 C ATOM 1234 CG ASP A 80 12.470 -0.189 9.239 1.00 0.00 C ATOM 1235 OD1 ASP A 80 11.612 -0.792 9.916 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.357 -0.771 8.580 1.00 0.00 O ATOM 0 H ASP A 80 10.510 1.477 6.701 1.00 0.00 H new ATOM 0 HA ASP A 80 10.318 1.163 8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.260 1.698 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.589 1.705 10.229 1.00 0.00 H new ATOM 1241 N ALA A 81 9.802 3.908 8.787 1.00 0.00 N ATOM 1242 CA ALA A 81 9.387 5.195 9.332 1.00 0.00 C ATOM 1243 C ALA A 81 7.922 5.477 9.017 1.00 0.00 C ATOM 1244 O ALA A 81 7.516 5.480 7.854 1.00 0.00 O ATOM 1245 CB ALA A 81 10.270 6.308 8.788 1.00 0.00 C ATOM 0 H ALA A 81 9.280 3.611 7.963 1.00 0.00 H new ATOM 0 HA ALA A 81 9.498 5.156 10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.949 7.263 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.306 6.120 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.188 6.339 7.701 1.00 0.00 H new ATOM 1251 N ASP A 82 7.132 5.713 10.059 1.00 0.00 N ATOM 1252 CA ASP A 82 5.711 5.997 9.893 1.00 0.00 C ATOM 1253 C ASP A 82 5.480 6.946 8.721 1.00 0.00 C ATOM 1254 O ASP A 82 6.010 8.057 8.697 1.00 0.00 O ATOM 1255 CB ASP A 82 5.137 6.600 11.175 1.00 0.00 C ATOM 1256 CG ASP A 82 5.670 5.923 12.423 1.00 0.00 C ATOM 1257 OD1 ASP A 82 5.813 4.683 12.410 1.00 0.00 O ATOM 1258 OD2 ASP A 82 5.944 6.634 13.413 1.00 0.00 O ATOM 0 H ASP A 82 7.452 5.713 11.028 1.00 0.00 H new ATOM 0 HA ASP A 82 5.200 5.058 9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.376 7.663 11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.050 6.518 11.157 1.00 0.00 H new ATOM 1263 N TRP A 83 4.688 6.501 7.753 1.00 0.00 N ATOM 1264 CA TRP A 83 4.388 7.311 6.578 1.00 0.00 C ATOM 1265 C TRP A 83 3.561 8.534 6.957 1.00 0.00 C ATOM 1266 O TRP A 83 3.543 9.530 6.233 1.00 0.00 O ATOM 1267 CB TRP A 83 3.640 6.477 5.536 1.00 0.00 C ATOM 1268 CG TRP A 83 2.226 6.169 5.927 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.777 5.808 7.165 1.00 0.00 C ATOM 1270 CD2 TRP A 83 1.077 6.192 5.073 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.419 5.606 7.133 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.035 5.836 5.861 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.878 6.480 3.720 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.324 5.760 5.339 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.401 6.405 3.203 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.489 6.048 4.011 1.00 0.00 C ATOM 0 H TRP A 83 4.242 5.584 7.758 1.00 0.00 H new ATOM 0 HA TRP A 83 5.331 7.652 6.151 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.639 7.011 4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.177 5.542 5.375 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.399 5.698 8.041 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.158 5.330 7.927 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.710 6.757 3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.163 5.484 5.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.565 6.625 2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.477 5.999 3.577 1.00 0.00 H new ATOM 1287 N GLU A 84 2.879 8.454 8.095 1.00 0.00 N ATOM 1288 CA GLU A 84 2.051 9.556 8.568 1.00 0.00 C ATOM 1289 C GLU A 84 2.914 10.734 9.011 1.00 0.00 C ATOM 1290 O GLU A 84 2.483 11.887 8.963 1.00 0.00 O ATOM 1291 CB GLU A 84 1.163 9.096 9.727 1.00 0.00 C ATOM 1292 CG GLU A 84 0.345 7.856 9.410 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.689 7.551 10.478 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -1.442 8.472 10.855 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -0.743 6.390 10.935 1.00 0.00 O ATOM 0 H GLU A 84 2.884 7.637 8.706 1.00 0.00 H new ATOM 0 HA GLU A 84 1.418 9.881 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.789 8.896 10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.488 9.907 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.157 7.991 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.014 7.002 9.302 1.00 0.00 H new ATOM 1302 N LEU A 85 4.134 10.436 9.443 1.00 0.00 N ATOM 1303 CA LEU A 85 5.059 11.470 9.896 1.00 0.00 C ATOM 1304 C LEU A 85 5.612 12.261 8.715 1.00 0.00 C ATOM 1305 O LEU A 85 5.803 13.475 8.802 1.00 0.00 O ATOM 1306 CB LEU A 85 6.208 10.842 10.687 1.00 0.00 C ATOM 1307 CG LEU A 85 5.992 10.711 12.195 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.769 9.857 12.487 1.00 0.00 C ATOM 1309 CD2 LEU A 85 7.227 10.123 12.862 1.00 0.00 C ATOM 0 H LEU A 85 4.506 9.487 9.489 1.00 0.00 H new ATOM 0 HA LEU A 85 4.512 12.155 10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.403 9.850 10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.106 11.437 10.519 1.00 0.00 H new ATOM 0 HG LEU A 85 5.821 11.706 12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.631 9.775 13.565 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.888 10.320 12.043 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.910 8.863 12.063 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.055 10.037 13.935 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.430 9.136 12.447 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.082 10.774 12.683 1.00 0.00 H new ATOM 1321 N LEU A 86 5.864 11.567 7.611 1.00 0.00 N ATOM 1322 CA LEU A 86 6.393 12.205 6.410 1.00 0.00 C ATOM 1323 C LEU A 86 5.265 12.755 5.544 1.00 0.00 C ATOM 1324 O LEU A 86 5.129 13.967 5.380 1.00 0.00 O ATOM 1325 CB LEU A 86 7.229 11.208 5.606 1.00 0.00 C ATOM 1326 CG LEU A 86 8.146 10.292 6.417 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.331 8.959 5.709 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.492 10.961 6.657 1.00 0.00 C ATOM 0 H LEU A 86 5.711 10.563 7.522 1.00 0.00 H new ATOM 0 HA LEU A 86 7.027 13.036 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.552 10.585 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.841 11.766 4.897 1.00 0.00 H new ATOM 0 HG LEU A 86 7.678 10.105 7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.987 8.320 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.363 8.473 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.777 9.127 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.132 10.295 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.966 11.178 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.344 11.890 7.208 1.00 0.00 H new ATOM 1340 N GLY A 87 4.455 11.856 4.994 1.00 0.00 N ATOM 1341 CA GLY A 87 3.347 12.271 4.153 1.00 0.00 C ATOM 1342 C GLY A 87 2.517 11.099 3.667 1.00 0.00 C ATOM 1343 O GLY A 87 2.790 10.535 2.608 1.00 0.00 O ATOM 0 H GLY A 87 4.546 10.847 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.709 12.958 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.733 12.820 3.294 1.00 0.00 H new ATOM 1347 N GLU A 88 1.503 10.731 4.444 1.00 0.00 N ATOM 1348 CA GLU A 88 0.633 9.617 4.087 1.00 0.00 C ATOM 1349 C GLU A 88 0.449 9.534 2.574 1.00 0.00 C ATOM 1350 O GLU A 88 0.776 8.523 1.952 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.728 9.764 4.770 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.667 9.629 6.282 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.002 9.243 6.888 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -2.469 8.116 6.623 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.580 10.068 7.626 1.00 0.00 O ATOM 0 H GLU A 88 1.264 11.188 5.324 1.00 0.00 H new ATOM 0 HA GLU A 88 1.105 8.696 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.149 10.737 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.408 9.010 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.078 8.879 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.336 10.573 6.714 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.078 10.604 1.989 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.307 10.654 0.549 1.00 0.00 C ATOM 1364 C LEU A 89 0.458 11.811 -0.085 1.00 0.00 C ATOM 1365 O LEU A 89 0.690 11.827 -1.293 1.00 0.00 O ATOM 1366 CB LEU A 89 -1.802 10.794 0.255 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.725 9.825 0.994 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.182 10.172 0.733 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.434 8.390 0.578 1.00 0.00 C ATOM 0 H LEU A 89 -0.355 11.449 2.489 1.00 0.00 H new ATOM 0 HA LEU A 89 0.057 9.722 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.106 11.812 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.955 10.664 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.537 9.918 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.824 9.472 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.383 11.186 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.385 10.108 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.100 7.714 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.594 8.283 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.399 8.145 0.817 1.00 0.00 H new ATOM 1381 N ASP A 90 0.850 12.776 0.740 1.00 0.00 N ATOM 1382 CA ASP A 90 1.592 13.937 0.261 1.00 0.00 C ATOM 1383 C ASP A 90 3.042 13.568 -0.037 1.00 0.00 C ATOM 1384 O ASP A 90 3.726 14.259 -0.793 1.00 0.00 O ATOM 1385 CB ASP A 90 1.542 15.063 1.294 1.00 0.00 C ATOM 1386 CG ASP A 90 1.848 16.419 0.688 1.00 0.00 C ATOM 1387 OD1 ASP A 90 2.736 16.491 -0.187 1.00 0.00 O ATOM 1388 OD2 ASP A 90 1.198 17.407 1.087 1.00 0.00 O ATOM 0 H ASP A 90 0.666 12.777 1.743 1.00 0.00 H new ATOM 0 HA ASP A 90 1.125 14.281 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.553 15.088 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.257 14.854 2.090 1.00 0.00 H new ATOM 1393 N TYR A 91 3.505 12.476 0.561 1.00 0.00 N ATOM 1394 CA TYR A 91 4.875 12.018 0.362 1.00 0.00 C ATOM 1395 C TYR A 91 5.077 11.505 -1.060 1.00 0.00 C ATOM 1396 O TYR A 91 4.188 10.880 -1.638 1.00 0.00 O ATOM 1397 CB TYR A 91 5.217 10.916 1.367 1.00 0.00 C ATOM 1398 CG TYR A 91 6.685 10.554 1.391 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.583 11.264 2.179 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.173 9.501 0.628 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.925 10.937 2.203 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.513 9.166 0.648 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.385 9.887 1.437 1.00 0.00 C ATOM 1404 OH TYR A 91 10.721 9.557 1.460 1.00 0.00 O ATOM 0 H TYR A 91 2.952 11.891 1.188 1.00 0.00 H new ATOM 0 HA TYR A 91 5.541 12.866 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.914 11.238 2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.635 10.025 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.226 12.085 2.783 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.493 8.935 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.610 11.501 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.876 8.344 0.049 1.00 0.00 H new ATOM 0 HH TYR A 91 10.880 8.794 0.866 1.00 0.00 H new ATOM 1414 N GLN A 92 6.253 11.774 -1.618 1.00 0.00 N ATOM 1415 CA GLN A 92 6.572 11.340 -2.973 1.00 0.00 C ATOM 1416 C GLN A 92 7.728 10.345 -2.967 1.00 0.00 C ATOM 1417 O GLN A 92 8.880 10.717 -2.739 1.00 0.00 O ATOM 1418 CB GLN A 92 6.925 12.545 -3.847 1.00 0.00 C ATOM 1419 CG GLN A 92 5.830 13.598 -3.901 1.00 0.00 C ATOM 1420 CD GLN A 92 6.333 14.937 -4.403 1.00 0.00 C ATOM 1421 OE1 GLN A 92 7.529 15.116 -4.637 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.421 15.887 -4.572 1.00 0.00 N ATOM 0 H GLN A 92 7.000 12.290 -1.153 1.00 0.00 H new ATOM 0 HA GLN A 92 5.693 10.846 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.839 13.002 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.136 12.200 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.027 13.249 -4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.403 13.724 -2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.441 15.695 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.701 16.809 -4.908 1.00 0.00 H new ATOM 1431 N LEU A 93 7.414 9.080 -3.220 1.00 0.00 N ATOM 1432 CA LEU A 93 8.427 8.030 -3.244 1.00 0.00 C ATOM 1433 C LEU A 93 9.548 8.377 -4.218 1.00 0.00 C ATOM 1434 O LEU A 93 9.295 8.836 -5.332 1.00 0.00 O ATOM 1435 CB LEU A 93 7.794 6.693 -3.633 1.00 0.00 C ATOM 1436 CG LEU A 93 6.781 6.116 -2.643 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.468 4.667 -2.983 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.303 6.231 -1.218 1.00 0.00 C ATOM 0 H LEU A 93 6.466 8.756 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 93 8.853 7.947 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.301 6.814 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.592 5.963 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 93 5.859 6.692 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.746 4.273 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.051 4.611 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.383 4.077 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.569 5.816 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.239 5.680 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.475 7.280 -0.977 1.00 0.00 H new ATOM 1450 N GLN A 94 10.787 8.153 -3.791 1.00 0.00 N ATOM 1451 CA GLN A 94 11.946 8.441 -4.627 1.00 0.00 C ATOM 1452 C GLN A 94 12.499 7.164 -5.250 1.00 0.00 C ATOM 1453 O GLN A 94 11.978 6.073 -5.018 1.00 0.00 O ATOM 1454 CB GLN A 94 13.035 9.133 -3.804 1.00 0.00 C ATOM 1455 CG GLN A 94 12.625 10.500 -3.280 1.00 0.00 C ATOM 1456 CD GLN A 94 12.550 11.546 -4.375 1.00 0.00 C ATOM 1457 OE1 GLN A 94 11.467 12.011 -4.732 1.00 0.00 O ATOM 1458 NE2 GLN A 94 13.703 11.923 -4.914 1.00 0.00 N ATOM 0 H GLN A 94 11.013 7.773 -2.872 1.00 0.00 H new ATOM 0 HA GLN A 94 11.627 9.107 -5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.302 8.495 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.929 9.242 -4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.654 10.421 -2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.338 10.823 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.577 11.511 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.715 12.624 -5.655 1.00 0.00 H new ATOM 1467 N ASP A 95 13.555 7.308 -6.043 1.00 0.00 N ATOM 1468 CA ASP A 95 14.179 6.165 -6.700 1.00 0.00 C ATOM 1469 C ASP A 95 14.934 5.304 -5.692 1.00 0.00 C ATOM 1470 O ASP A 95 15.621 5.822 -4.812 1.00 0.00 O ATOM 1471 CB ASP A 95 15.131 6.639 -7.799 1.00 0.00 C ATOM 1472 CG ASP A 95 16.367 7.316 -7.242 1.00 0.00 C ATOM 1473 OD1 ASP A 95 17.331 6.601 -6.897 1.00 0.00 O ATOM 1474 OD2 ASP A 95 16.372 8.561 -7.152 1.00 0.00 O ATOM 0 H ASP A 95 13.997 8.205 -6.247 1.00 0.00 H new ATOM 0 HA ASP A 95 13.391 5.560 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.431 5.786 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.606 7.332 -8.456 1.00 0.00 H new ATOM 1479 N GLN A 96 14.801 3.989 -5.828 1.00 0.00 N ATOM 1480 CA GLN A 96 15.469 3.057 -4.927 1.00 0.00 C ATOM 1481 C GLN A 96 14.984 3.242 -3.494 1.00 0.00 C ATOM 1482 O GLN A 96 15.784 3.422 -2.575 1.00 0.00 O ATOM 1483 CB GLN A 96 16.985 3.249 -4.994 1.00 0.00 C ATOM 1484 CG GLN A 96 17.582 2.914 -6.352 1.00 0.00 C ATOM 1485 CD GLN A 96 17.118 1.570 -6.877 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.512 0.521 -6.365 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.278 1.593 -7.905 1.00 0.00 N ATOM 0 H GLN A 96 14.237 3.545 -6.553 1.00 0.00 H new ATOM 0 HA GLN A 96 15.223 2.044 -5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.223 4.284 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.456 2.624 -4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.311 3.692 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.669 2.915 -6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.977 2.485 -8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 96 15.933 0.719 -8.302 1.00 0.00 H new ATOM 1496 N ASP A 97 13.669 3.198 -3.309 1.00 0.00 N ATOM 1497 CA ASP A 97 13.077 3.360 -1.986 1.00 0.00 C ATOM 1498 C ASP A 97 12.519 2.036 -1.474 1.00 0.00 C ATOM 1499 O ASP A 97 12.460 1.051 -2.209 1.00 0.00 O ATOM 1500 CB ASP A 97 11.969 4.414 -2.026 1.00 0.00 C ATOM 1501 CG ASP A 97 12.514 5.828 -1.990 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.538 6.087 -2.658 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.916 6.677 -1.296 1.00 0.00 O ATOM 0 H ASP A 97 12.993 3.052 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 97 13.859 3.692 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.376 4.279 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.298 4.264 -1.180 1.00 0.00 H new ATOM 1508 N SER A 98 12.112 2.021 -0.209 1.00 0.00 N ATOM 1509 CA SER A 98 11.562 0.817 0.403 1.00 0.00 C ATOM 1510 C SER A 98 10.239 1.116 1.100 1.00 0.00 C ATOM 1511 O SER A 98 10.152 2.025 1.926 1.00 0.00 O ATOM 1512 CB SER A 98 12.558 0.229 1.405 1.00 0.00 C ATOM 1513 OG SER A 98 12.083 -0.995 1.938 1.00 0.00 O ATOM 0 H SER A 98 12.153 2.829 0.412 1.00 0.00 H new ATOM 0 HA SER A 98 11.379 0.089 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.519 0.068 0.916 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.728 0.940 2.214 1.00 0.00 H new ATOM 0 HG SER A 98 12.738 -1.351 2.574 1.00 0.00 H new ATOM 1519 N ILE A 99 9.211 0.346 0.760 1.00 0.00 N ATOM 1520 CA ILE A 99 7.892 0.528 1.354 1.00 0.00 C ATOM 1521 C ILE A 99 7.420 -0.747 2.044 1.00 0.00 C ATOM 1522 O ILE A 99 7.659 -1.854 1.560 1.00 0.00 O ATOM 1523 CB ILE A 99 6.851 0.942 0.297 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.481 1.886 -0.728 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.652 1.599 0.964 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.909 3.215 -0.144 1.00 0.00 C ATOM 0 H ILE A 99 9.266 -0.409 0.077 1.00 0.00 H new ATOM 0 HA ILE A 99 7.985 1.325 2.092 1.00 0.00 H new ATOM 0 HB ILE A 99 6.508 0.048 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.348 1.398 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.767 2.065 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.925 1.886 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.192 0.897 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.978 2.486 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.347 3.833 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.042 3.724 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.647 3.047 0.640 1.00 0.00 H new ATOM 1538 N LEU A 100 6.746 -0.584 3.178 1.00 0.00 N ATOM 1539 CA LEU A 100 6.237 -1.722 3.935 1.00 0.00 C ATOM 1540 C LEU A 100 4.727 -1.619 4.124 1.00 0.00 C ATOM 1541 O LEU A 100 4.191 -0.533 4.344 1.00 0.00 O ATOM 1542 CB LEU A 100 6.928 -1.804 5.297 1.00 0.00 C ATOM 1543 CG LEU A 100 6.376 -2.847 6.269 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.767 -4.249 5.827 1.00 0.00 C ATOM 1545 CD2 LEU A 100 6.870 -2.574 7.682 1.00 0.00 C ATOM 0 H LEU A 100 6.540 0.325 3.593 1.00 0.00 H new ATOM 0 HA LEU A 100 6.453 -2.628 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.985 -2.013 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.866 -0.825 5.773 1.00 0.00 H new ATOM 0 HG LEU A 100 5.288 -2.778 6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.365 -4.978 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.363 -4.443 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.853 -4.332 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.467 -3.326 8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.959 -2.615 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.538 -1.585 7.999 1.00 0.00 H new ATOM 1557 N PHE A 101 4.046 -2.757 4.039 1.00 0.00 N ATOM 1558 CA PHE A 101 2.597 -2.796 4.202 1.00 0.00 C ATOM 1559 C PHE A 101 2.181 -3.958 5.100 1.00 0.00 C ATOM 1560 O PHE A 101 2.258 -5.121 4.702 1.00 0.00 O ATOM 1561 CB PHE A 101 1.913 -2.919 2.839 1.00 0.00 C ATOM 1562 CG PHE A 101 2.160 -1.744 1.936 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.287 -1.697 1.132 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.265 -0.687 1.891 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.517 -0.617 0.301 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.489 0.395 1.062 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.617 0.430 0.265 1.00 0.00 C ATOM 0 H PHE A 101 4.474 -3.665 3.858 1.00 0.00 H new ATOM 0 HA PHE A 101 2.284 -1.865 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.263 -3.826 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.839 -3.032 2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.994 -2.513 1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.381 -0.709 2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.400 -0.592 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.783 1.212 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.795 1.274 -0.385 1.00 0.00 H new ATOM 1577 N ILE A 102 1.742 -3.634 6.311 1.00 0.00 N ATOM 1578 CA ILE A 102 1.314 -4.650 7.265 1.00 0.00 C ATOM 1579 C ILE A 102 -0.197 -4.609 7.470 1.00 0.00 C ATOM 1580 O ILE A 102 -0.820 -3.553 7.362 1.00 0.00 O ATOM 1581 CB ILE A 102 2.010 -4.473 8.627 1.00 0.00 C ATOM 1582 CG1 ILE A 102 1.576 -5.576 9.593 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.699 -3.101 9.206 1.00 0.00 C ATOM 1584 CD1 ILE A 102 2.629 -5.929 10.620 1.00 0.00 C ATOM 0 H ILE A 102 1.673 -2.676 6.655 1.00 0.00 H new ATOM 0 HA ILE A 102 1.596 -5.616 6.845 1.00 0.00 H new ATOM 0 HB ILE A 102 3.088 -4.548 8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.669 -5.260 10.108 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.323 -6.469 9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.198 -2.991 10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.054 -2.329 8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.622 -2.999 9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.252 -6.718 11.271 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.530 -6.276 10.113 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.865 -5.048 11.217 1.00 0.00 H new ATOM 1596 N SER A 103 -0.780 -5.766 7.767 1.00 0.00 N ATOM 1597 CA SER A 103 -2.218 -5.863 7.986 1.00 0.00 C ATOM 1598 C SER A 103 -2.525 -6.175 9.447 1.00 0.00 C ATOM 1599 O SER A 103 -2.126 -7.216 9.970 1.00 0.00 O ATOM 1600 CB SER A 103 -2.820 -6.943 7.084 1.00 0.00 C ATOM 1601 OG SER A 103 -4.229 -6.998 7.226 1.00 0.00 O ATOM 0 H SER A 103 -0.278 -6.649 7.861 1.00 0.00 H new ATOM 0 HA SER A 103 -2.665 -4.901 7.737 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.564 -6.738 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.388 -7.912 7.333 1.00 0.00 H new ATOM 0 HG SER A 103 -4.590 -7.694 6.638 1.00 0.00 H new ATOM 1607 N THR A 104 -3.239 -5.265 10.103 1.00 0.00 N ATOM 1608 CA THR A 104 -3.600 -5.441 11.504 1.00 0.00 C ATOM 1609 C THR A 104 -5.110 -5.357 11.697 1.00 0.00 C ATOM 1610 O THR A 104 -5.589 -4.786 12.678 1.00 0.00 O ATOM 1611 CB THR A 104 -2.920 -4.385 12.396 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.397 -3.078 12.058 1.00 0.00 O ATOM 1613 CG2 THR A 104 -1.408 -4.435 12.237 1.00 0.00 C ATOM 0 H THR A 104 -3.579 -4.398 9.686 1.00 0.00 H new ATOM 0 HA THR A 104 -3.253 -6.432 11.798 1.00 0.00 H new ATOM 0 HB THR A 104 -3.168 -4.605 13.434 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.527 -3.018 11.088 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.950 -3.680 12.876 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.045 -5.422 12.523 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.145 -4.238 11.198 1.00 0.00 H new ATOM 1621 N LEU A 105 -5.854 -5.928 10.758 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.312 -5.919 10.826 1.00 0.00 C ATOM 1623 C LEU A 105 -7.850 -7.304 11.168 1.00 0.00 C ATOM 1624 O LEU A 105 -8.634 -7.464 12.104 1.00 0.00 O ATOM 1625 CB LEU A 105 -7.901 -5.444 9.496 1.00 0.00 C ATOM 1626 CG LEU A 105 -9.279 -4.787 9.569 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -9.183 -3.414 10.216 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -9.894 -4.683 8.181 1.00 0.00 C ATOM 0 H LEU A 105 -5.473 -6.403 9.940 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.610 -5.229 11.616 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.206 -4.735 9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.964 -6.299 8.823 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.926 -5.411 10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.174 -2.962 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.786 -3.515 11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.520 -2.780 9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.875 -4.213 8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.249 -4.081 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.000 -5.680 7.754 1.00 0.00 H new ATOM 1640 N HIS A 106 -7.423 -8.305 10.404 1.00 0.00 N ATOM 1641 CA HIS A 106 -7.860 -9.678 10.628 1.00 0.00 C ATOM 1642 C HIS A 106 -6.702 -10.654 10.440 1.00 0.00 C ATOM 1643 O HIS A 106 -5.853 -10.465 9.570 1.00 0.00 O ATOM 1644 CB HIS A 106 -9.002 -10.034 9.676 1.00 0.00 C ATOM 1645 CG HIS A 106 -9.905 -11.108 10.200 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -9.507 -12.419 10.352 1.00 0.00 N ATOM 1647 CD2 HIS A 106 -11.195 -11.058 10.609 1.00 0.00 C ATOM 1648 CE1 HIS A 106 -10.512 -13.130 10.830 1.00 0.00 C ATOM 1649 NE2 HIS A 106 -11.548 -12.328 10.996 1.00 0.00 N ATOM 0 H HIS A 106 -6.775 -8.191 9.625 1.00 0.00 H new ATOM 0 HA HIS A 106 -8.216 -9.757 11.655 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -9.592 -9.139 9.478 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -8.583 -10.356 8.723 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.828 -10.183 10.627 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -10.490 -14.188 11.048 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.462 -12.606 11.353 1.00 0.00 H new ATOM 1658 N GLY A 107 -6.675 -11.699 11.262 1.00 0.00 N ATOM 1659 CA GLY A 107 -5.617 -12.688 11.170 1.00 0.00 C ATOM 1660 C GLY A 107 -5.291 -13.315 12.511 1.00 0.00 C ATOM 1661 O GLY A 107 -4.489 -12.780 13.276 1.00 0.00 O ATOM 0 H GLY A 107 -7.367 -11.878 11.990 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.914 -13.469 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.720 -12.220 10.764 1.00 0.00 H new ATOM 1665 N GLY A 108 -5.917 -14.453 12.799 1.00 0.00 N ATOM 1666 CA GLY A 108 -5.677 -15.133 14.058 1.00 0.00 C ATOM 1667 C GLY A 108 -6.745 -16.161 14.374 1.00 0.00 C ATOM 1668 O GLY A 108 -6.440 -17.330 14.610 1.00 0.00 O ATOM 0 H GLY A 108 -6.586 -14.915 12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.704 -15.623 14.023 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -5.635 -14.398 14.862 1.00 0.00 H new ATOM 1672 N SER A 109 -8.000 -15.725 14.381 1.00 0.00 N ATOM 1673 CA SER A 109 -9.117 -16.615 14.676 1.00 0.00 C ATOM 1674 C SER A 109 -9.074 -17.854 13.787 1.00 0.00 C ATOM 1675 O SER A 109 -8.684 -17.783 12.622 1.00 0.00 O ATOM 1676 CB SER A 109 -10.446 -15.882 14.484 1.00 0.00 C ATOM 1677 OG SER A 109 -11.498 -16.547 15.161 1.00 0.00 O ATOM 0 H SER A 109 -8.269 -14.761 14.186 1.00 0.00 H new ATOM 0 HA SER A 109 -9.032 -16.932 15.716 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.359 -14.861 14.855 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.678 -15.816 13.421 1.00 0.00 H new ATOM 0 HG SER A 109 -12.336 -16.058 15.024 1.00 0.00 H new ATOM 1683 N GLY A 110 -9.478 -18.991 14.346 1.00 0.00 N ATOM 1684 CA GLY A 110 -9.478 -20.230 13.591 1.00 0.00 C ATOM 1685 C GLY A 110 -9.957 -21.410 14.413 1.00 0.00 C ATOM 1686 O GLY A 110 -10.253 -21.286 15.602 1.00 0.00 O ATOM 0 H GLY A 110 -9.805 -19.076 15.308 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -10.117 -20.118 12.715 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.470 -20.430 13.227 1.00 0.00 H new ATOM 1690 N PRO A 111 -10.040 -22.587 13.774 1.00 0.00 N ATOM 1691 CA PRO A 111 -10.487 -23.816 14.435 1.00 0.00 C ATOM 1692 C PRO A 111 -9.473 -24.329 15.453 1.00 0.00 C ATOM 1693 O PRO A 111 -9.690 -25.356 16.096 1.00 0.00 O ATOM 1694 CB PRO A 111 -10.631 -24.809 13.279 1.00 0.00 C ATOM 1695 CG PRO A 111 -9.700 -24.306 12.230 1.00 0.00 C ATOM 1696 CD PRO A 111 -9.702 -22.807 12.358 1.00 0.00 C ATOM 0 HA PRO A 111 -11.406 -23.663 15.001 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.368 -25.820 13.590 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.657 -24.845 12.913 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -8.697 -24.708 12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.028 -24.613 11.237 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -8.731 -22.381 12.106 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.434 -22.348 11.694 1.00 0.00 H new ATOM 1704 N SER A 112 -8.367 -23.606 15.595 1.00 0.00 N ATOM 1705 CA SER A 112 -7.318 -23.990 16.533 1.00 0.00 C ATOM 1706 C SER A 112 -6.714 -22.761 17.205 1.00 0.00 C ATOM 1707 O SER A 112 -6.099 -21.920 16.549 1.00 0.00 O ATOM 1708 CB SER A 112 -6.225 -24.781 15.813 1.00 0.00 C ATOM 1709 OG SER A 112 -5.606 -25.709 16.687 1.00 0.00 O ATOM 0 H SER A 112 -8.174 -22.751 15.073 1.00 0.00 H new ATOM 0 HA SER A 112 -7.765 -24.620 17.302 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.655 -25.309 14.962 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.476 -24.095 15.417 1.00 0.00 H new ATOM 0 HG SER A 112 -4.912 -26.203 16.202 1.00 0.00 H new ATOM 1715 N SER A 113 -6.894 -22.663 18.518 1.00 0.00 N ATOM 1716 CA SER A 113 -6.370 -21.536 19.280 1.00 0.00 C ATOM 1717 C SER A 113 -5.013 -21.097 18.738 1.00 0.00 C ATOM 1718 O SER A 113 -4.092 -21.902 18.612 1.00 0.00 O ATOM 1719 CB SER A 113 -6.245 -21.906 20.759 1.00 0.00 C ATOM 1720 OG SER A 113 -5.289 -22.934 20.948 1.00 0.00 O ATOM 0 H SER A 113 -7.399 -23.351 19.077 1.00 0.00 H new ATOM 0 HA SER A 113 -7.069 -20.705 19.178 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.956 -21.026 21.334 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.213 -22.231 21.139 1.00 0.00 H new ATOM 0 HG SER A 113 -4.638 -22.914 20.216 1.00 0.00 H new ATOM 1726 N GLY A 114 -4.899 -19.811 18.417 1.00 0.00 N ATOM 1727 CA GLY A 114 -3.652 -19.286 17.891 1.00 0.00 C ATOM 1728 C GLY A 114 -3.812 -18.690 16.507 1.00 0.00 C ATOM 1729 O GLY A 114 -2.856 -18.165 15.936 1.00 0.00 O ATOM 0 H GLY A 114 -5.647 -19.124 18.512 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.267 -18.524 18.569 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.911 -20.085 17.856 1.00 0.00 H new TER 1733 GLY A 114