USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 746 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 MET CE :methyl 175:sc= 0 (180deg=-0.0195) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0408 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0973 X(o=-0.097,f=-0.097) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.0591 X(o=-0.059,f=-0.059) USER MOD Single : A 10 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 175:sc= 0 (180deg=-0.0516) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -157:sc= 2.42 (180deg=2.06) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -125:sc= -2.46 (180deg=-4.75!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 30:sc= 0.342 USER MOD Single : A 112 HIS : no HD1:sc= 0.326 K(o=0.33,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.076 38.608 -17.515 1.00 0.00 N ATOM 2 CA MET A 1 2.129 39.253 -16.668 1.00 0.00 C ATOM 3 C MET A 1 1.508 40.293 -15.720 1.00 0.00 C ATOM 4 O MET A 1 0.468 40.874 -16.036 1.00 0.00 O ATOM 5 CB MET A 1 3.255 39.908 -17.508 1.00 0.00 C ATOM 6 CG MET A 1 4.139 38.898 -18.261 1.00 0.00 C ATOM 7 SD MET A 1 5.480 39.628 -19.250 1.00 0.00 S ATOM 8 CE MET A 1 6.601 40.221 -17.948 1.00 0.00 C ATOM 0 H1 MET A 1 0.975 37.609 -17.243 1.00 0.00 H new ATOM 0 H2 MET A 1 0.170 39.098 -17.375 1.00 0.00 H new ATOM 0 H3 MET A 1 1.351 38.668 -18.516 1.00 0.00 H new ATOM 0 HA MET A 1 2.584 38.455 -16.081 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.806 40.592 -18.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.884 40.507 -16.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.576 38.211 -17.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.505 38.305 -18.920 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.511 40.613 -18.402 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.111 41.010 -17.378 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.854 39.396 -17.282 1.00 0.00 H new ATOM 20 N ARG A 2 2.139 40.539 -14.559 1.00 0.00 N ATOM 21 CA ARG A 2 1.691 41.512 -13.536 1.00 0.00 C ATOM 22 C ARG A 2 2.886 42.157 -12.809 1.00 0.00 C ATOM 23 O ARG A 2 3.924 41.515 -12.634 1.00 0.00 O ATOM 24 CB ARG A 2 0.756 40.778 -12.545 1.00 0.00 C ATOM 25 CG ARG A 2 -0.179 41.680 -11.720 1.00 0.00 C ATOM 26 CD ARG A 2 -1.278 42.325 -12.580 1.00 0.00 C ATOM 27 NE ARG A 2 -2.230 43.093 -11.752 1.00 0.00 N ATOM 28 CZ ARG A 2 -3.353 43.659 -12.161 1.00 0.00 C ATOM 29 NH1 ARG A 2 -3.747 43.605 -13.404 1.00 0.00 N ATOM 30 NH2 ARG A 2 -4.113 44.300 -11.318 1.00 0.00 N ATOM 0 H ARG A 2 2.998 40.056 -14.295 1.00 0.00 H new ATOM 0 HA ARG A 2 1.149 42.326 -14.018 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.146 40.069 -13.106 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.370 40.196 -11.857 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.640 41.092 -10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.407 42.462 -11.237 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.823 42.984 -13.320 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.814 41.551 -13.129 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.998 43.197 -10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.182 43.114 -14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.620 44.054 -13.682 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.843 44.367 -10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.978 44.734 -11.640 1.00 0.00 H new ATOM 44 N GLY A 3 2.727 43.406 -12.361 1.00 0.00 N ATOM 45 CA GLY A 3 3.752 44.169 -11.629 1.00 0.00 C ATOM 46 C GLY A 3 4.883 44.735 -12.507 1.00 0.00 C ATOM 47 O GLY A 3 4.920 44.532 -13.725 1.00 0.00 O ATOM 0 H GLY A 3 1.863 43.930 -12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.267 44.995 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.190 43.524 -10.867 1.00 0.00 H new ATOM 51 N SER A 4 5.804 45.470 -11.877 1.00 0.00 N ATOM 52 CA SER A 4 6.966 46.105 -12.523 1.00 0.00 C ATOM 53 C SER A 4 8.143 45.137 -12.743 1.00 0.00 C ATOM 54 O SER A 4 8.285 44.128 -12.042 1.00 0.00 O ATOM 55 CB SER A 4 7.404 47.342 -11.723 1.00 0.00 C ATOM 56 OG SER A 4 7.720 47.003 -10.379 1.00 0.00 O ATOM 0 H SER A 4 5.764 45.647 -10.873 1.00 0.00 H new ATOM 0 HA SER A 4 6.648 46.416 -13.518 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.272 47.797 -12.199 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.608 48.086 -11.735 1.00 0.00 H new ATOM 0 HG SER A 4 7.997 47.809 -9.895 1.00 0.00 H new ATOM 62 N HIS A 5 8.991 45.442 -13.736 1.00 0.00 N ATOM 63 CA HIS A 5 10.094 44.571 -14.195 1.00 0.00 C ATOM 64 C HIS A 5 11.419 45.304 -14.505 1.00 0.00 C ATOM 65 O HIS A 5 12.364 44.680 -14.995 1.00 0.00 O ATOM 66 CB HIS A 5 9.596 43.751 -15.400 1.00 0.00 C ATOM 67 CG HIS A 5 9.149 44.593 -16.575 1.00 0.00 C ATOM 68 ND1 HIS A 5 9.989 45.212 -17.508 1.00 0.00 N ATOM 69 CD2 HIS A 5 7.854 44.893 -16.884 1.00 0.00 C ATOM 70 CE1 HIS A 5 9.180 45.868 -18.356 1.00 0.00 C ATOM 71 NE2 HIS A 5 7.893 45.693 -18.005 1.00 0.00 N ATOM 0 H HIS A 5 8.932 46.318 -14.256 1.00 0.00 H new ATOM 0 HA HIS A 5 10.356 43.915 -13.365 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.394 43.084 -15.727 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.765 43.122 -15.080 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.971 44.567 -16.354 1.00 0.00 H new ATOM 0 HE1 HIS A 5 9.515 46.453 -19.200 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.084 46.086 -18.487 1.00 0.00 H new ATOM 79 N HIS A 6 11.515 46.608 -14.207 1.00 0.00 N ATOM 80 CA HIS A 6 12.690 47.452 -14.485 1.00 0.00 C ATOM 81 C HIS A 6 13.133 48.257 -13.251 1.00 0.00 C ATOM 82 O HIS A 6 12.301 48.833 -12.544 1.00 0.00 O ATOM 83 CB HIS A 6 12.387 48.377 -15.672 1.00 0.00 C ATOM 84 CG HIS A 6 13.551 49.266 -16.044 1.00 0.00 C ATOM 85 ND1 HIS A 6 13.738 50.585 -15.617 1.00 0.00 N ATOM 86 CD2 HIS A 6 14.618 48.895 -16.811 1.00 0.00 C ATOM 87 CE1 HIS A 6 14.913 50.978 -16.139 1.00 0.00 C ATOM 88 NE2 HIS A 6 15.461 49.984 -16.861 1.00 0.00 N ATOM 0 H HIS A 6 10.758 47.120 -13.754 1.00 0.00 H new ATOM 0 HA HIS A 6 13.524 46.799 -14.742 1.00 0.00 H new ATOM 0 HB2 HIS A 6 12.110 47.772 -16.535 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.526 48.999 -15.429 1.00 0.00 H new ATOM 0 HD2 HIS A 6 14.771 47.937 -17.285 1.00 0.00 H new ATOM 0 HE1 HIS A 6 15.354 51.954 -15.999 1.00 0.00 H new ATOM 0 HE2 HIS A 6 16.349 50.029 -17.360 1.00 0.00 H new ATOM 96 N HIS A 7 14.451 48.307 -13.015 1.00 0.00 N ATOM 97 CA HIS A 7 15.101 48.977 -11.876 1.00 0.00 C ATOM 98 C HIS A 7 16.456 49.588 -12.283 1.00 0.00 C ATOM 99 O HIS A 7 17.104 49.109 -13.219 1.00 0.00 O ATOM 100 CB HIS A 7 15.306 47.967 -10.729 1.00 0.00 C ATOM 101 CG HIS A 7 14.037 47.305 -10.238 1.00 0.00 C ATOM 102 ND1 HIS A 7 13.591 46.026 -10.598 1.00 0.00 N ATOM 103 CD2 HIS A 7 13.132 47.859 -9.378 1.00 0.00 C ATOM 104 CE1 HIS A 7 12.423 45.848 -9.954 1.00 0.00 C ATOM 105 NE2 HIS A 7 12.126 46.931 -9.214 1.00 0.00 N ATOM 0 H HIS A 7 15.124 47.863 -13.639 1.00 0.00 H new ATOM 0 HA HIS A 7 14.453 49.787 -11.542 1.00 0.00 H new ATOM 0 HB2 HIS A 7 15.998 47.194 -11.063 1.00 0.00 H new ATOM 0 HB3 HIS A 7 15.780 48.479 -9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 7 13.193 48.834 -8.917 1.00 0.00 H new ATOM 0 HE1 HIS A 7 11.811 44.961 -10.022 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.297 47.046 -8.631 1.00 0.00 H new ATOM 113 N HIS A 8 16.907 50.625 -11.564 1.00 0.00 N ATOM 114 CA HIS A 8 18.200 51.297 -11.785 1.00 0.00 C ATOM 115 C HIS A 8 18.800 51.847 -10.477 1.00 0.00 C ATOM 116 O HIS A 8 18.066 52.345 -9.618 1.00 0.00 O ATOM 117 CB HIS A 8 18.011 52.427 -12.810 1.00 0.00 C ATOM 118 CG HIS A 8 19.303 53.118 -13.178 1.00 0.00 C ATOM 119 ND1 HIS A 8 19.796 54.288 -12.594 1.00 0.00 N ATOM 120 CD2 HIS A 8 20.200 52.671 -14.102 1.00 0.00 C ATOM 121 CE1 HIS A 8 20.983 54.520 -13.182 1.00 0.00 C ATOM 122 NE2 HIS A 8 21.248 53.566 -14.093 1.00 0.00 N ATOM 0 H HIS A 8 16.373 51.031 -10.795 1.00 0.00 H new ATOM 0 HA HIS A 8 18.906 50.561 -12.169 1.00 0.00 H new ATOM 0 HB2 HIS A 8 17.555 52.018 -13.712 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.315 53.162 -12.406 1.00 0.00 H new ATOM 0 HD2 HIS A 8 20.108 51.790 -14.719 1.00 0.00 H new ATOM 0 HE1 HIS A 8 21.631 55.353 -12.955 1.00 0.00 H new ATOM 0 HE2 HIS A 8 22.082 53.514 -14.677 1.00 0.00 H new ATOM 130 N HIS A 9 20.130 51.761 -10.323 1.00 0.00 N ATOM 131 CA HIS A 9 20.879 52.281 -9.166 1.00 0.00 C ATOM 132 C HIS A 9 22.360 52.560 -9.494 1.00 0.00 C ATOM 133 O HIS A 9 22.981 51.820 -10.262 1.00 0.00 O ATOM 134 CB HIS A 9 20.790 51.267 -8.011 1.00 0.00 C ATOM 135 CG HIS A 9 21.509 51.709 -6.758 1.00 0.00 C ATOM 136 ND1 HIS A 9 21.230 52.868 -6.027 1.00 0.00 N ATOM 137 CD2 HIS A 9 22.566 51.067 -6.179 1.00 0.00 C ATOM 138 CE1 HIS A 9 22.121 52.893 -5.020 1.00 0.00 C ATOM 139 NE2 HIS A 9 22.933 51.823 -5.087 1.00 0.00 N ATOM 0 H HIS A 9 20.731 51.317 -11.017 1.00 0.00 H new ATOM 0 HA HIS A 9 20.428 53.232 -8.882 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.741 51.091 -7.774 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.206 50.315 -8.342 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.024 50.147 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 9 22.177 53.663 -4.265 1.00 0.00 H new ATOM 0 HE2 HIS A 9 23.691 51.608 -4.440 1.00 0.00 H new ATOM 147 N HIS A 10 22.943 53.575 -8.841 1.00 0.00 N ATOM 148 CA HIS A 10 24.393 53.819 -8.738 1.00 0.00 C ATOM 149 C HIS A 10 24.756 54.274 -7.312 1.00 0.00 C ATOM 150 O HIS A 10 24.104 55.162 -6.759 1.00 0.00 O ATOM 151 CB HIS A 10 24.853 54.876 -9.760 1.00 0.00 C ATOM 152 CG HIS A 10 24.916 54.409 -11.197 1.00 0.00 C ATOM 153 ND1 HIS A 10 24.363 55.078 -12.295 1.00 0.00 N ATOM 154 CD2 HIS A 10 25.621 53.330 -11.651 1.00 0.00 C ATOM 155 CE1 HIS A 10 24.736 54.377 -13.381 1.00 0.00 C ATOM 156 NE2 HIS A 10 25.485 53.319 -13.023 1.00 0.00 N ATOM 0 H HIS A 10 22.395 54.280 -8.348 1.00 0.00 H new ATOM 0 HA HIS A 10 24.908 52.884 -8.959 1.00 0.00 H new ATOM 0 HB2 HIS A 10 24.177 55.729 -9.703 1.00 0.00 H new ATOM 0 HB3 HIS A 10 25.841 55.232 -9.468 1.00 0.00 H new ATOM 0 HD2 HIS A 10 26.176 52.624 -11.052 1.00 0.00 H new ATOM 0 HE1 HIS A 10 24.471 54.629 -14.397 1.00 0.00 H new ATOM 0 HE2 HIS A 10 25.884 52.627 -13.658 1.00 0.00 H new ATOM 164 N GLY A 11 25.798 53.671 -6.721 1.00 0.00 N ATOM 165 CA GLY A 11 26.161 53.847 -5.302 1.00 0.00 C ATOM 166 C GLY A 11 27.491 54.563 -5.015 1.00 0.00 C ATOM 167 O GLY A 11 27.834 54.732 -3.842 1.00 0.00 O ATOM 0 H GLY A 11 26.423 53.038 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 11 25.362 54.404 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 11 26.196 52.863 -4.835 1.00 0.00 H new ATOM 171 N SER A 28 28.255 54.965 -6.038 1.00 0.00 N ATOM 172 CA SER A 28 29.614 55.526 -5.888 1.00 0.00 C ATOM 173 C SER A 28 29.970 56.601 -6.930 1.00 0.00 C ATOM 174 O SER A 28 29.439 56.619 -8.046 1.00 0.00 O ATOM 175 CB SER A 28 30.656 54.395 -5.917 1.00 0.00 C ATOM 176 OG SER A 28 30.601 53.661 -7.136 1.00 0.00 O ATOM 0 H SER A 28 27.947 54.911 -7.009 1.00 0.00 H new ATOM 0 HA SER A 28 29.627 56.030 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 28 31.654 54.816 -5.790 1.00 0.00 H new ATOM 0 HB3 SER A 28 30.485 53.721 -5.078 1.00 0.00 H new ATOM 0 HG SER A 28 31.277 52.952 -7.122 1.00 0.00 H new ATOM 182 N VAL A 29 30.881 57.508 -6.552 1.00 0.00 N ATOM 183 CA VAL A 29 31.453 58.577 -7.397 1.00 0.00 C ATOM 184 C VAL A 29 32.826 59.023 -6.857 1.00 0.00 C ATOM 185 O VAL A 29 33.057 58.995 -5.644 1.00 0.00 O ATOM 186 CB VAL A 29 30.467 59.767 -7.512 1.00 0.00 C ATOM 187 CG1 VAL A 29 30.185 60.474 -6.178 1.00 0.00 C ATOM 188 CG2 VAL A 29 30.925 60.814 -8.535 1.00 0.00 C ATOM 0 H VAL A 29 31.260 57.521 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 29 31.610 58.182 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 29 29.540 59.304 -7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 29 29.487 61.295 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 29 29.751 59.764 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 29 31.117 60.866 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 29 30.198 61.625 -8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 29 31.896 61.211 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 29 31.007 60.351 -9.518 1.00 0.00 H new ATOM 198 N SER A 30 33.738 59.439 -7.740 1.00 0.00 N ATOM 199 CA SER A 30 35.055 60.004 -7.388 1.00 0.00 C ATOM 200 C SER A 30 35.568 61.005 -8.439 1.00 0.00 C ATOM 201 O SER A 30 35.227 60.914 -9.624 1.00 0.00 O ATOM 202 CB SER A 30 36.087 58.884 -7.167 1.00 0.00 C ATOM 203 OG SER A 30 36.254 58.079 -8.328 1.00 0.00 O ATOM 0 H SER A 30 33.582 59.393 -8.747 1.00 0.00 H new ATOM 0 HA SER A 30 34.922 60.555 -6.457 1.00 0.00 H new ATOM 0 HB2 SER A 30 37.045 59.323 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 30 35.770 58.257 -6.333 1.00 0.00 H new ATOM 0 HG SER A 30 36.918 57.381 -8.149 1.00 0.00 H new ATOM 209 N PHE A 31 36.385 61.973 -8.004 1.00 0.00 N ATOM 210 CA PHE A 31 37.031 62.983 -8.859 1.00 0.00 C ATOM 211 C PHE A 31 38.342 63.510 -8.232 1.00 0.00 C ATOM 212 O PHE A 31 38.527 63.443 -7.012 1.00 0.00 O ATOM 213 CB PHE A 31 36.041 64.133 -9.124 1.00 0.00 C ATOM 214 CG PHE A 31 36.468 65.087 -10.225 1.00 0.00 C ATOM 215 CD1 PHE A 31 36.511 64.643 -11.561 1.00 0.00 C ATOM 216 CD2 PHE A 31 36.831 66.414 -9.921 1.00 0.00 C ATOM 217 CE1 PHE A 31 36.925 65.515 -12.585 1.00 0.00 C ATOM 218 CE2 PHE A 31 37.245 67.285 -10.945 1.00 0.00 C ATOM 219 CZ PHE A 31 37.293 66.836 -12.276 1.00 0.00 C ATOM 0 H PHE A 31 36.623 62.080 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 31 37.302 62.516 -9.806 1.00 0.00 H new ATOM 0 HB2 PHE A 31 35.071 63.709 -9.384 1.00 0.00 H new ATOM 0 HB3 PHE A 31 35.905 64.699 -8.202 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.225 63.629 -11.800 1.00 0.00 H new ATOM 0 HD2 PHE A 31 36.791 66.763 -8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.960 65.169 -13.608 1.00 0.00 H new ATOM 0 HE2 PHE A 31 37.526 68.300 -10.708 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.612 67.506 -13.061 1.00 0.00 H new ATOM 229 N GLY A 32 39.259 64.023 -9.062 1.00 0.00 N ATOM 230 CA GLY A 32 40.556 64.573 -8.632 1.00 0.00 C ATOM 231 C GLY A 32 40.487 65.980 -8.012 1.00 0.00 C ATOM 232 O GLY A 32 39.446 66.643 -8.028 1.00 0.00 O ATOM 0 H GLY A 32 39.120 64.069 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 32 41.000 63.893 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 32 41.225 64.603 -9.492 1.00 0.00 H new ATOM 236 N ALA A 33 41.622 66.446 -7.477 1.00 0.00 N ATOM 237 CA ALA A 33 41.805 67.797 -6.930 1.00 0.00 C ATOM 238 C ALA A 33 43.258 68.305 -7.122 1.00 0.00 C ATOM 239 O ALA A 33 44.191 67.490 -7.097 1.00 0.00 O ATOM 240 CB ALA A 33 41.422 67.783 -5.443 1.00 0.00 C ATOM 0 H ALA A 33 42.465 65.876 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 33 41.159 68.487 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 33 41.553 68.781 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 33 40.380 67.480 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 33 42.060 67.079 -4.910 1.00 0.00 H new ATOM 246 N PRO A 34 43.482 69.624 -7.297 1.00 0.00 N ATOM 247 CA PRO A 34 44.820 70.197 -7.454 1.00 0.00 C ATOM 248 C PRO A 34 45.583 70.238 -6.116 1.00 0.00 C ATOM 249 O PRO A 34 45.180 70.928 -5.174 1.00 0.00 O ATOM 250 CB PRO A 34 44.592 71.592 -8.047 1.00 0.00 C ATOM 251 CG PRO A 34 43.216 71.992 -7.512 1.00 0.00 C ATOM 252 CD PRO A 34 42.466 70.662 -7.440 1.00 0.00 C ATOM 0 HA PRO A 34 45.449 69.592 -8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 34 45.364 72.293 -7.730 1.00 0.00 H new ATOM 0 HB3 PRO A 34 44.608 71.572 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 34 43.287 72.467 -6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 34 42.717 72.700 -8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 34 41.777 70.650 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 34 41.871 70.502 -8.339 1.00 0.00 H new ATOM 260 N SER A 35 46.715 69.525 -6.055 1.00 0.00 N ATOM 261 CA SER A 35 47.589 69.421 -4.870 1.00 0.00 C ATOM 262 C SER A 35 49.087 69.474 -5.251 1.00 0.00 C ATOM 263 O SER A 35 49.812 68.495 -5.037 1.00 0.00 O ATOM 264 CB SER A 35 47.258 68.144 -4.073 1.00 0.00 C ATOM 265 OG SER A 35 45.921 68.158 -3.583 1.00 0.00 O ATOM 0 H SER A 35 47.062 68.988 -6.850 1.00 0.00 H new ATOM 0 HA SER A 35 47.396 70.285 -4.235 1.00 0.00 H new ATOM 0 HB2 SER A 35 47.403 67.271 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 35 47.951 68.048 -3.237 1.00 0.00 H new ATOM 0 HG SER A 35 45.747 67.332 -3.084 1.00 0.00 H new ATOM 271 N PRO A 36 49.577 70.579 -5.855 1.00 0.00 N ATOM 272 CA PRO A 36 50.973 70.709 -6.279 1.00 0.00 C ATOM 273 C PRO A 36 51.939 70.732 -5.078 1.00 0.00 C ATOM 274 O PRO A 36 51.786 71.537 -4.154 1.00 0.00 O ATOM 275 CB PRO A 36 51.030 72.002 -7.101 1.00 0.00 C ATOM 276 CG PRO A 36 49.899 72.849 -6.519 1.00 0.00 C ATOM 277 CD PRO A 36 48.843 71.804 -6.157 1.00 0.00 C ATOM 0 HA PRO A 36 51.295 69.853 -6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 36 51.995 72.499 -7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 36 50.880 71.809 -8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 36 50.225 73.414 -5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 36 49.521 73.571 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 36 48.253 72.127 -5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 36 48.148 71.649 -6.982 1.00 0.00 H new ATOM 285 N LEU A 37 52.942 69.843 -5.100 1.00 0.00 N ATOM 286 CA LEU A 37 53.903 69.639 -3.999 1.00 0.00 C ATOM 287 C LEU A 37 55.355 69.372 -4.472 1.00 0.00 C ATOM 288 O LEU A 37 56.265 69.257 -3.649 1.00 0.00 O ATOM 289 CB LEU A 37 53.336 68.499 -3.120 1.00 0.00 C ATOM 290 CG LEU A 37 54.001 68.268 -1.748 1.00 0.00 C ATOM 291 CD1 LEU A 37 54.001 69.521 -0.867 1.00 0.00 C ATOM 292 CD2 LEU A 37 53.244 67.169 -0.998 1.00 0.00 C ATOM 0 H LEU A 37 53.114 69.232 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 37 54.000 70.559 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 37 52.277 68.696 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 37 53.402 67.571 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 37 55.036 67.989 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 37 54.482 69.296 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 37 54.547 70.319 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 52.974 69.840 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 37 53.711 67.003 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 37 52.208 67.474 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 37 53.273 66.246 -1.578 1.00 0.00 H new ATOM 304 N SER A 38 55.593 69.282 -5.787 1.00 0.00 N ATOM 305 CA SER A 38 56.890 68.907 -6.376 1.00 0.00 C ATOM 306 C SER A 38 58.005 69.925 -6.084 1.00 0.00 C ATOM 307 O SER A 38 57.796 71.138 -6.173 1.00 0.00 O ATOM 308 CB SER A 38 56.756 68.723 -7.895 1.00 0.00 C ATOM 309 OG SER A 38 55.727 67.787 -8.193 1.00 0.00 O ATOM 0 H SER A 38 54.876 69.471 -6.487 1.00 0.00 H new ATOM 0 HA SER A 38 57.176 67.967 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 38 56.532 69.681 -8.365 1.00 0.00 H new ATOM 0 HB3 SER A 38 57.702 68.377 -8.311 1.00 0.00 H new ATOM 0 HG SER A 38 55.652 67.681 -9.164 1.00 0.00 H new ATOM 315 N SER A 39 59.205 69.426 -5.768 1.00 0.00 N ATOM 316 CA SER A 39 60.390 70.236 -5.426 1.00 0.00 C ATOM 317 C SER A 39 61.283 70.598 -6.626 1.00 0.00 C ATOM 318 O SER A 39 62.102 71.515 -6.531 1.00 0.00 O ATOM 319 CB SER A 39 61.213 69.502 -4.358 1.00 0.00 C ATOM 320 OG SER A 39 61.584 68.204 -4.811 1.00 0.00 O ATOM 0 H SER A 39 59.389 68.423 -5.741 1.00 0.00 H new ATOM 0 HA SER A 39 60.014 71.186 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 39 62.107 70.079 -4.121 1.00 0.00 H new ATOM 0 HB3 SER A 39 60.634 69.420 -3.438 1.00 0.00 H new ATOM 0 HG SER A 39 62.109 67.753 -4.117 1.00 0.00 H new ATOM 326 N GLU A 40 61.132 69.907 -7.762 1.00 0.00 N ATOM 327 CA GLU A 40 61.900 70.150 -8.994 1.00 0.00 C ATOM 328 C GLU A 40 61.409 71.377 -9.798 1.00 0.00 C ATOM 329 O GLU A 40 60.290 71.865 -9.608 1.00 0.00 O ATOM 330 CB GLU A 40 61.995 68.856 -9.829 1.00 0.00 C ATOM 331 CG GLU A 40 60.664 68.226 -10.278 1.00 0.00 C ATOM 332 CD GLU A 40 59.901 69.054 -11.334 1.00 0.00 C ATOM 333 OE1 GLU A 40 60.538 69.550 -12.294 1.00 0.00 O ATOM 334 OE2 GLU A 40 58.656 69.174 -11.224 1.00 0.00 O ATOM 0 H GLU A 40 60.459 69.146 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 40 62.914 70.424 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 40 62.589 69.067 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 40 62.544 68.115 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 40 60.862 67.234 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 40 60.025 68.092 -9.405 1.00 0.00 H new ATOM 341 N SER A 41 62.273 71.889 -10.684 1.00 0.00 N ATOM 342 CA SER A 41 62.112 73.165 -11.410 1.00 0.00 C ATOM 343 C SER A 41 62.132 73.022 -12.946 1.00 0.00 C ATOM 344 O SER A 41 62.420 73.983 -13.663 1.00 0.00 O ATOM 345 CB SER A 41 63.187 74.147 -10.922 1.00 0.00 C ATOM 346 OG SER A 41 64.489 73.627 -11.181 1.00 0.00 O ATOM 0 H SER A 41 63.140 71.410 -10.928 1.00 0.00 H new ATOM 0 HA SER A 41 61.117 73.549 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 41 63.066 75.107 -11.423 1.00 0.00 H new ATOM 0 HB3 SER A 41 63.066 74.327 -9.854 1.00 0.00 H new ATOM 0 HG SER A 41 65.164 74.264 -10.866 1.00 0.00 H new ATOM 352 N GLU A 42 61.863 71.818 -13.465 1.00 0.00 N ATOM 353 CA GLU A 42 62.001 71.387 -14.870 1.00 0.00 C ATOM 354 C GLU A 42 63.422 71.458 -15.474 1.00 0.00 C ATOM 355 O GLU A 42 63.647 70.913 -16.556 1.00 0.00 O ATOM 356 CB GLU A 42 60.954 72.056 -15.785 1.00 0.00 C ATOM 357 CG GLU A 42 59.506 71.779 -15.358 1.00 0.00 C ATOM 358 CD GLU A 42 58.516 72.396 -16.364 1.00 0.00 C ATOM 359 OE1 GLU A 42 58.132 71.711 -17.346 1.00 0.00 O ATOM 360 OE2 GLU A 42 58.106 73.570 -16.185 1.00 0.00 O ATOM 0 H GLU A 42 61.518 71.061 -12.875 1.00 0.00 H new ATOM 0 HA GLU A 42 61.797 70.317 -14.826 1.00 0.00 H new ATOM 0 HB2 GLU A 42 61.123 73.133 -15.792 1.00 0.00 H new ATOM 0 HB3 GLU A 42 61.097 71.704 -16.807 1.00 0.00 H new ATOM 0 HG2 GLU A 42 59.341 70.704 -15.290 1.00 0.00 H new ATOM 0 HG3 GLU A 42 59.329 72.192 -14.365 1.00 0.00 H new ATOM 367 N ASP A 43 64.407 72.040 -14.781 1.00 0.00 N ATOM 368 CA ASP A 43 65.786 72.204 -15.275 1.00 0.00 C ATOM 369 C ASP A 43 66.530 70.874 -15.511 1.00 0.00 C ATOM 370 O ASP A 43 67.424 70.782 -16.356 1.00 0.00 O ATOM 371 CB ASP A 43 66.547 73.098 -14.288 1.00 0.00 C ATOM 372 CG ASP A 43 67.957 73.453 -14.791 1.00 0.00 C ATOM 373 OD1 ASP A 43 68.074 74.232 -15.769 1.00 0.00 O ATOM 374 OD2 ASP A 43 68.956 72.983 -14.194 1.00 0.00 O ATOM 0 H ASP A 43 64.270 72.418 -13.844 1.00 0.00 H new ATOM 0 HA ASP A 43 65.735 72.670 -16.259 1.00 0.00 H new ATOM 0 HB2 ASP A 43 65.982 74.015 -14.121 1.00 0.00 H new ATOM 0 HB3 ASP A 43 66.624 72.591 -13.326 1.00 0.00 H new ATOM 379 N GLU A 44 66.115 69.828 -14.795 1.00 0.00 N ATOM 380 CA GLU A 44 66.639 68.457 -14.912 1.00 0.00 C ATOM 381 C GLU A 44 65.863 67.555 -15.891 1.00 0.00 C ATOM 382 O GLU A 44 66.334 66.472 -16.249 1.00 0.00 O ATOM 383 CB GLU A 44 66.757 67.820 -13.514 1.00 0.00 C ATOM 384 CG GLU A 44 65.408 67.604 -12.810 1.00 0.00 C ATOM 385 CD GLU A 44 65.618 66.956 -11.428 1.00 0.00 C ATOM 386 OE1 GLU A 44 65.813 67.691 -10.429 1.00 0.00 O ATOM 387 OE2 GLU A 44 65.593 65.704 -11.327 1.00 0.00 O ATOM 0 H GLU A 44 65.380 69.910 -14.092 1.00 0.00 H new ATOM 0 HA GLU A 44 67.630 68.543 -15.357 1.00 0.00 H new ATOM 0 HB2 GLU A 44 67.266 66.860 -13.605 1.00 0.00 H new ATOM 0 HB3 GLU A 44 67.384 68.455 -12.888 1.00 0.00 H new ATOM 0 HG2 GLU A 44 64.894 68.558 -12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 44 64.769 66.968 -13.423 1.00 0.00 H new ATOM 394 N ILE A 45 64.691 67.997 -16.354 1.00 0.00 N ATOM 395 CA ILE A 45 63.769 67.197 -17.177 1.00 0.00 C ATOM 396 C ILE A 45 64.189 67.264 -18.655 1.00 0.00 C ATOM 397 O ILE A 45 63.867 68.213 -19.374 1.00 0.00 O ATOM 398 CB ILE A 45 62.298 67.616 -16.928 1.00 0.00 C ATOM 399 CG1 ILE A 45 61.899 67.553 -15.433 1.00 0.00 C ATOM 400 CG2 ILE A 45 61.332 66.756 -17.766 1.00 0.00 C ATOM 401 CD1 ILE A 45 61.976 66.170 -14.767 1.00 0.00 C ATOM 0 H ILE A 45 64.346 68.938 -16.166 1.00 0.00 H new ATOM 0 HA ILE A 45 63.830 66.149 -16.882 1.00 0.00 H new ATOM 0 HB ILE A 45 62.220 68.657 -17.241 1.00 0.00 H new ATOM 0 HG12 ILE A 45 62.542 68.237 -14.878 1.00 0.00 H new ATOM 0 HG13 ILE A 45 60.879 67.924 -15.335 1.00 0.00 H new ATOM 0 HG21 ILE A 45 60.306 67.069 -17.574 1.00 0.00 H new ATOM 0 HG22 ILE A 45 61.558 66.882 -18.825 1.00 0.00 H new ATOM 0 HG23 ILE A 45 61.448 65.707 -17.493 1.00 0.00 H new ATOM 0 HD11 ILE A 45 61.674 66.252 -13.723 1.00 0.00 H new ATOM 0 HD12 ILE A 45 61.310 65.479 -15.285 1.00 0.00 H new ATOM 0 HD13 ILE A 45 62.999 65.797 -14.821 1.00 0.00 H new ATOM 413 N ASN A 46 64.932 66.243 -19.096 1.00 0.00 N ATOM 414 CA ASN A 46 65.487 66.135 -20.456 1.00 0.00 C ATOM 415 C ASN A 46 64.762 65.097 -21.343 1.00 0.00 C ATOM 416 O ASN A 46 64.873 65.160 -22.569 1.00 0.00 O ATOM 417 CB ASN A 46 66.996 65.841 -20.343 1.00 0.00 C ATOM 418 CG ASN A 46 67.798 67.059 -19.909 1.00 0.00 C ATOM 419 OD1 ASN A 46 68.330 67.799 -20.727 1.00 0.00 O ATOM 420 ND2 ASN A 46 67.914 67.325 -18.626 1.00 0.00 N ATOM 0 H ASN A 46 65.172 65.447 -18.505 1.00 0.00 H new ATOM 0 HA ASN A 46 65.327 67.085 -20.965 1.00 0.00 H new ATOM 0 HB2 ASN A 46 67.153 65.034 -19.628 1.00 0.00 H new ATOM 0 HB3 ASN A 46 67.367 65.490 -21.306 1.00 0.00 H new ATOM 0 HD21 ASN A 46 68.443 68.142 -18.320 1.00 0.00 H new ATOM 0 HD22 ASN A 46 67.475 66.715 -17.937 1.00 0.00 H new ATOM 427 N TYR A 47 64.011 64.165 -20.738 1.00 0.00 N ATOM 428 CA TYR A 47 63.297 63.066 -21.410 1.00 0.00 C ATOM 429 C TYR A 47 61.915 62.820 -20.773 1.00 0.00 C ATOM 430 O TYR A 47 61.691 63.166 -19.610 1.00 0.00 O ATOM 431 CB TYR A 47 64.148 61.784 -21.353 1.00 0.00 C ATOM 432 CG TYR A 47 65.528 61.909 -21.980 1.00 0.00 C ATOM 433 CD1 TYR A 47 65.677 61.816 -23.378 1.00 0.00 C ATOM 434 CD2 TYR A 47 66.656 62.138 -21.166 1.00 0.00 C ATOM 435 CE1 TYR A 47 66.949 61.961 -23.965 1.00 0.00 C ATOM 436 CE2 TYR A 47 67.929 62.286 -21.750 1.00 0.00 C ATOM 437 CZ TYR A 47 68.080 62.202 -23.151 1.00 0.00 C ATOM 438 OH TYR A 47 69.315 62.351 -23.707 1.00 0.00 O ATOM 0 H TYR A 47 63.878 64.155 -19.727 1.00 0.00 H new ATOM 0 HA TYR A 47 63.135 63.348 -22.450 1.00 0.00 H new ATOM 0 HB2 TYR A 47 64.263 61.487 -20.311 1.00 0.00 H new ATOM 0 HB3 TYR A 47 63.607 60.982 -21.855 1.00 0.00 H new ATOM 0 HD1 TYR A 47 64.814 61.633 -24.001 1.00 0.00 H new ATOM 0 HD2 TYR A 47 66.544 62.200 -20.094 1.00 0.00 H new ATOM 0 HE1 TYR A 47 67.061 61.888 -25.037 1.00 0.00 H new ATOM 0 HE2 TYR A 47 68.791 62.464 -21.125 1.00 0.00 H new ATOM 0 HH TYR A 47 69.975 62.511 -23.000 1.00 0.00 H new ATOM 448 N MET A 48 60.997 62.200 -21.529 1.00 0.00 N ATOM 449 CA MET A 48 59.646 61.846 -21.049 1.00 0.00 C ATOM 450 C MET A 48 59.123 60.520 -21.632 1.00 0.00 C ATOM 451 O MET A 48 58.575 59.699 -20.896 1.00 0.00 O ATOM 452 CB MET A 48 58.691 63.012 -21.368 1.00 0.00 C ATOM 453 CG MET A 48 57.327 62.894 -20.671 1.00 0.00 C ATOM 454 SD MET A 48 57.348 62.797 -18.854 1.00 0.00 S ATOM 455 CE MET A 48 58.108 64.390 -18.424 1.00 0.00 C ATOM 0 H MET A 48 61.169 61.927 -22.497 1.00 0.00 H new ATOM 0 HA MET A 48 59.699 61.686 -19.972 1.00 0.00 H new ATOM 0 HB2 MET A 48 59.162 63.949 -21.071 1.00 0.00 H new ATOM 0 HB3 MET A 48 58.537 63.060 -22.446 1.00 0.00 H new ATOM 0 HG2 MET A 48 56.721 63.753 -20.960 1.00 0.00 H new ATOM 0 HG3 MET A 48 56.824 62.006 -21.054 1.00 0.00 H new ATOM 0 HE1 MET A 48 58.106 64.513 -17.341 1.00 0.00 H new ATOM 0 HE2 MET A 48 59.134 64.414 -18.790 1.00 0.00 H new ATOM 0 HE3 MET A 48 57.540 65.200 -18.882 1.00 0.00 H new ATOM 465 N THR A 49 59.324 60.287 -22.937 1.00 0.00 N ATOM 466 CA THR A 49 58.848 59.095 -23.675 1.00 0.00 C ATOM 467 C THR A 49 59.963 58.428 -24.516 1.00 0.00 C ATOM 468 O THR A 49 59.844 58.322 -25.743 1.00 0.00 O ATOM 469 CB THR A 49 57.603 59.443 -24.521 1.00 0.00 C ATOM 470 OG1 THR A 49 57.812 60.622 -25.283 1.00 0.00 O ATOM 471 CG2 THR A 49 56.372 59.689 -23.643 1.00 0.00 C ATOM 0 H THR A 49 59.837 60.939 -23.531 1.00 0.00 H new ATOM 0 HA THR A 49 58.554 58.349 -22.937 1.00 0.00 H new ATOM 0 HB THR A 49 57.436 58.586 -25.174 1.00 0.00 H new ATOM 0 HG1 THR A 49 57.009 60.818 -25.810 1.00 0.00 H new ATOM 0 HG21 THR A 49 55.517 59.931 -24.275 1.00 0.00 H new ATOM 0 HG22 THR A 49 56.153 58.792 -23.064 1.00 0.00 H new ATOM 0 HG23 THR A 49 56.569 60.520 -22.965 1.00 0.00 H new ATOM 479 N PRO A 50 61.075 57.975 -23.893 1.00 0.00 N ATOM 480 CA PRO A 50 62.150 57.260 -24.591 1.00 0.00 C ATOM 481 C PRO A 50 61.685 55.893 -25.155 1.00 0.00 C ATOM 482 O PRO A 50 60.717 55.312 -24.645 1.00 0.00 O ATOM 483 CB PRO A 50 63.267 57.098 -23.554 1.00 0.00 C ATOM 484 CG PRO A 50 62.505 57.029 -22.232 1.00 0.00 C ATOM 485 CD PRO A 50 61.350 58.002 -22.460 1.00 0.00 C ATOM 0 HA PRO A 50 62.487 57.815 -25.466 1.00 0.00 H new ATOM 0 HB2 PRO A 50 63.852 56.195 -23.730 1.00 0.00 H new ATOM 0 HB3 PRO A 50 63.962 57.938 -23.575 1.00 0.00 H new ATOM 0 HG2 PRO A 50 62.149 56.020 -22.022 1.00 0.00 H new ATOM 0 HG3 PRO A 50 63.128 57.330 -21.389 1.00 0.00 H new ATOM 0 HD2 PRO A 50 60.471 57.704 -21.889 1.00 0.00 H new ATOM 0 HD3 PRO A 50 61.617 59.007 -22.133 1.00 0.00 H new ATOM 493 N PRO A 51 62.361 55.355 -26.191 1.00 0.00 N ATOM 494 CA PRO A 51 61.991 54.087 -26.827 1.00 0.00 C ATOM 495 C PRO A 51 62.231 52.866 -25.921 1.00 0.00 C ATOM 496 O PRO A 51 63.158 52.842 -25.106 1.00 0.00 O ATOM 497 CB PRO A 51 62.820 54.021 -28.115 1.00 0.00 C ATOM 498 CG PRO A 51 64.067 54.835 -27.770 1.00 0.00 C ATOM 499 CD PRO A 51 63.515 55.936 -26.865 1.00 0.00 C ATOM 0 HA PRO A 51 60.921 54.055 -27.033 1.00 0.00 H new ATOM 0 HB2 PRO A 51 63.070 52.994 -28.381 1.00 0.00 H new ATOM 0 HB3 PRO A 51 62.283 54.447 -28.962 1.00 0.00 H new ATOM 0 HG2 PRO A 51 64.816 54.230 -27.259 1.00 0.00 H new ATOM 0 HG3 PRO A 51 64.542 55.245 -28.662 1.00 0.00 H new ATOM 0 HD2 PRO A 51 64.265 56.263 -26.145 1.00 0.00 H new ATOM 0 HD3 PRO A 51 63.228 56.812 -27.446 1.00 0.00 H new ATOM 507 N GLU A 52 61.402 51.829 -26.091 1.00 0.00 N ATOM 508 CA GLU A 52 61.406 50.607 -25.259 1.00 0.00 C ATOM 509 C GLU A 52 61.189 49.296 -26.049 1.00 0.00 C ATOM 510 O GLU A 52 60.931 48.246 -25.459 1.00 0.00 O ATOM 511 CB GLU A 52 60.394 50.772 -24.104 1.00 0.00 C ATOM 512 CG GLU A 52 58.932 50.891 -24.564 1.00 0.00 C ATOM 513 CD GLU A 52 57.986 50.996 -23.354 1.00 0.00 C ATOM 514 OE1 GLU A 52 57.697 52.130 -22.895 1.00 0.00 O ATOM 515 OE2 GLU A 52 57.506 49.948 -22.854 1.00 0.00 O ATOM 0 H GLU A 52 60.693 51.810 -26.824 1.00 0.00 H new ATOM 0 HA GLU A 52 62.410 50.500 -24.849 1.00 0.00 H new ATOM 0 HB2 GLU A 52 60.484 49.919 -23.432 1.00 0.00 H new ATOM 0 HB3 GLU A 52 60.656 51.660 -23.529 1.00 0.00 H new ATOM 0 HG2 GLU A 52 58.816 51.769 -25.199 1.00 0.00 H new ATOM 0 HG3 GLU A 52 58.664 50.024 -25.167 1.00 0.00 H new ATOM 522 N GLN A 53 61.294 49.327 -27.385 1.00 0.00 N ATOM 523 CA GLN A 53 60.884 48.215 -28.264 1.00 0.00 C ATOM 524 C GLN A 53 61.700 46.921 -28.053 1.00 0.00 C ATOM 525 O GLN A 53 61.179 45.818 -28.226 1.00 0.00 O ATOM 526 CB GLN A 53 60.955 48.710 -29.721 1.00 0.00 C ATOM 527 CG GLN A 53 60.314 47.737 -30.728 1.00 0.00 C ATOM 528 CD GLN A 53 60.282 48.267 -32.165 1.00 0.00 C ATOM 529 OE1 GLN A 53 60.773 49.341 -32.498 1.00 0.00 O ATOM 530 NE2 GLN A 53 59.699 47.528 -33.088 1.00 0.00 N ATOM 0 H GLN A 53 61.668 50.129 -27.893 1.00 0.00 H new ATOM 0 HA GLN A 53 59.863 47.931 -28.008 1.00 0.00 H new ATOM 0 HB2 GLN A 53 60.457 49.677 -29.793 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.999 48.868 -29.993 1.00 0.00 H new ATOM 0 HG2 GLN A 53 60.864 46.796 -30.710 1.00 0.00 H new ATOM 0 HG3 GLN A 53 59.295 47.517 -30.409 1.00 0.00 H new ATOM 0 HE21 GLN A 53 59.284 46.631 -32.836 1.00 0.00 H new ATOM 0 HE22 GLN A 53 59.663 47.853 -34.054 1.00 0.00 H new ATOM 539 N GLU A 54 62.965 47.044 -27.640 1.00 0.00 N ATOM 540 CA GLU A 54 63.865 45.906 -27.375 1.00 0.00 C ATOM 541 C GLU A 54 63.744 45.350 -25.936 1.00 0.00 C ATOM 542 O GLU A 54 64.257 44.270 -25.636 1.00 0.00 O ATOM 543 CB GLU A 54 65.307 46.341 -27.704 1.00 0.00 C ATOM 544 CG GLU A 54 66.256 45.193 -28.078 1.00 0.00 C ATOM 545 CD GLU A 54 65.889 44.566 -29.440 1.00 0.00 C ATOM 546 OE1 GLU A 54 66.308 45.105 -30.494 1.00 0.00 O ATOM 547 OE2 GLU A 54 65.186 43.526 -29.471 1.00 0.00 O ATOM 0 H GLU A 54 63.404 47.950 -27.476 1.00 0.00 H new ATOM 0 HA GLU A 54 63.570 45.076 -28.017 1.00 0.00 H new ATOM 0 HB2 GLU A 54 65.278 47.053 -28.529 1.00 0.00 H new ATOM 0 HB3 GLU A 54 65.718 46.868 -26.843 1.00 0.00 H new ATOM 0 HG2 GLU A 54 67.280 45.565 -28.113 1.00 0.00 H new ATOM 0 HG3 GLU A 54 66.222 44.426 -27.304 1.00 0.00 H new ATOM 554 N ALA A 55 63.043 46.051 -25.035 1.00 0.00 N ATOM 555 CA ALA A 55 62.962 45.749 -23.599 1.00 0.00 C ATOM 556 C ALA A 55 61.934 44.642 -23.254 1.00 0.00 C ATOM 557 O ALA A 55 61.184 44.747 -22.277 1.00 0.00 O ATOM 558 CB ALA A 55 62.736 47.065 -22.839 1.00 0.00 C ATOM 0 H ALA A 55 62.497 46.873 -25.295 1.00 0.00 H new ATOM 0 HA ALA A 55 63.907 45.314 -23.274 1.00 0.00 H new ATOM 0 HB1 ALA A 55 62.673 46.862 -21.770 1.00 0.00 H new ATOM 0 HB2 ALA A 55 63.567 47.743 -23.031 1.00 0.00 H new ATOM 0 HB3 ALA A 55 61.807 47.525 -23.176 1.00 0.00 H new ATOM 564 N GLN A 56 61.873 43.585 -24.073 1.00 0.00 N ATOM 565 CA GLN A 56 60.929 42.464 -23.950 1.00 0.00 C ATOM 566 C GLN A 56 61.583 41.159 -24.465 1.00 0.00 C ATOM 567 O GLN A 56 61.222 40.657 -25.535 1.00 0.00 O ATOM 568 CB GLN A 56 59.619 42.843 -24.676 1.00 0.00 C ATOM 569 CG GLN A 56 58.459 41.887 -24.349 1.00 0.00 C ATOM 570 CD GLN A 56 57.171 42.300 -25.060 1.00 0.00 C ATOM 571 OE1 GLN A 56 56.799 41.770 -26.099 1.00 0.00 O ATOM 572 NE2 GLN A 56 56.438 43.266 -24.539 1.00 0.00 N ATOM 0 H GLN A 56 62.502 43.482 -24.869 1.00 0.00 H new ATOM 0 HA GLN A 56 60.674 42.271 -22.908 1.00 0.00 H new ATOM 0 HB2 GLN A 56 59.336 43.859 -24.399 1.00 0.00 H new ATOM 0 HB3 GLN A 56 59.792 42.843 -25.752 1.00 0.00 H new ATOM 0 HG2 GLN A 56 58.729 40.873 -24.644 1.00 0.00 H new ATOM 0 HG3 GLN A 56 58.292 41.872 -23.272 1.00 0.00 H new ATOM 0 HE21 GLN A 56 56.732 43.719 -23.674 1.00 0.00 H new ATOM 0 HE22 GLN A 56 55.577 43.559 -25.001 1.00 0.00 H new ATOM 581 N PRO A 57 62.590 40.617 -23.745 1.00 0.00 N ATOM 582 CA PRO A 57 63.417 39.512 -24.239 1.00 0.00 C ATOM 583 C PRO A 57 62.771 38.121 -24.084 1.00 0.00 C ATOM 584 O PRO A 57 63.200 37.170 -24.740 1.00 0.00 O ATOM 585 CB PRO A 57 64.722 39.648 -23.450 1.00 0.00 C ATOM 586 CG PRO A 57 64.252 40.165 -22.092 1.00 0.00 C ATOM 587 CD PRO A 57 63.129 41.123 -22.484 1.00 0.00 C ATOM 0 HA PRO A 57 63.565 39.580 -25.317 1.00 0.00 H new ATOM 0 HB2 PRO A 57 65.241 38.693 -23.361 1.00 0.00 H new ATOM 0 HB3 PRO A 57 65.412 40.342 -23.929 1.00 0.00 H new ATOM 0 HG2 PRO A 57 63.895 39.359 -21.451 1.00 0.00 H new ATOM 0 HG3 PRO A 57 65.050 40.673 -21.551 1.00 0.00 H new ATOM 0 HD2 PRO A 57 62.357 41.155 -21.715 1.00 0.00 H new ATOM 0 HD3 PRO A 57 63.506 42.139 -22.600 1.00 0.00 H new ATOM 595 N GLY A 58 61.740 37.985 -23.236 1.00 0.00 N ATOM 596 CA GLY A 58 60.949 36.751 -23.087 1.00 0.00 C ATOM 597 C GLY A 58 61.683 35.575 -22.423 1.00 0.00 C ATOM 598 O GLY A 58 61.302 34.421 -22.636 1.00 0.00 O ATOM 0 H GLY A 58 61.427 38.739 -22.625 1.00 0.00 H new ATOM 0 HA2 GLY A 58 60.058 36.979 -22.501 1.00 0.00 H new ATOM 0 HA3 GLY A 58 60.610 36.435 -24.074 1.00 0.00 H new ATOM 602 N ALA A 59 62.742 35.845 -21.648 1.00 0.00 N ATOM 603 CA ALA A 59 63.600 34.846 -21.011 1.00 0.00 C ATOM 604 C ALA A 59 64.065 35.283 -19.605 1.00 0.00 C ATOM 605 O ALA A 59 64.168 36.475 -19.304 1.00 0.00 O ATOM 606 CB ALA A 59 64.792 34.571 -21.939 1.00 0.00 C ATOM 0 H ALA A 59 63.032 36.801 -21.442 1.00 0.00 H new ATOM 0 HA ALA A 59 63.029 33.930 -20.861 1.00 0.00 H new ATOM 0 HB1 ALA A 59 65.445 33.828 -21.482 1.00 0.00 H new ATOM 0 HB2 ALA A 59 64.429 34.196 -22.896 1.00 0.00 H new ATOM 0 HB3 ALA A 59 65.349 35.494 -22.099 1.00 0.00 H new ATOM 612 N LEU A 60 64.370 34.291 -18.764 1.00 0.00 N ATOM 613 CA LEU A 60 64.848 34.418 -17.380 1.00 0.00 C ATOM 614 C LEU A 60 66.201 33.710 -17.160 1.00 0.00 C ATOM 615 O LEU A 60 66.668 32.972 -18.030 1.00 0.00 O ATOM 616 CB LEU A 60 63.742 33.930 -16.419 1.00 0.00 C ATOM 617 CG LEU A 60 63.605 32.406 -16.191 1.00 0.00 C ATOM 618 CD1 LEU A 60 62.501 32.151 -15.165 1.00 0.00 C ATOM 619 CD2 LEU A 60 63.259 31.619 -17.457 1.00 0.00 C ATOM 0 H LEU A 60 64.285 33.315 -19.047 1.00 0.00 H new ATOM 0 HA LEU A 60 65.048 35.468 -17.165 1.00 0.00 H new ATOM 0 HB2 LEU A 60 63.909 34.400 -15.450 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.787 34.300 -16.792 1.00 0.00 H new ATOM 0 HG LEU A 60 64.580 32.061 -15.847 1.00 0.00 H new ATOM 0 HD11 LEU A 60 62.399 31.079 -14.999 1.00 0.00 H new ATOM 0 HD12 LEU A 60 62.757 32.640 -14.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 61.558 32.552 -15.538 1.00 0.00 H new ATOM 0 HD21 LEU A 60 63.180 30.559 -17.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 62.308 31.972 -17.857 1.00 0.00 H new ATOM 0 HD23 LEU A 60 64.042 31.765 -18.201 1.00 0.00 H new ATOM 631 N ALA A 61 66.823 33.925 -15.994 1.00 0.00 N ATOM 632 CA ALA A 61 68.098 33.316 -15.614 1.00 0.00 C ATOM 633 C ALA A 61 68.077 32.692 -14.207 1.00 0.00 C ATOM 634 O ALA A 61 67.557 33.284 -13.258 1.00 0.00 O ATOM 635 CB ALA A 61 69.206 34.367 -15.735 1.00 0.00 C ATOM 0 H ALA A 61 66.443 34.541 -15.275 1.00 0.00 H new ATOM 0 HA ALA A 61 68.290 32.489 -16.297 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.161 33.923 -15.454 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.260 34.722 -16.764 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.987 35.205 -15.073 1.00 0.00 H new ATOM 641 N ALA A 62 68.704 31.523 -14.071 1.00 0.00 N ATOM 642 CA ALA A 62 69.075 30.898 -12.803 1.00 0.00 C ATOM 643 C ALA A 62 70.500 31.309 -12.367 1.00 0.00 C ATOM 644 O ALA A 62 71.290 31.823 -13.165 1.00 0.00 O ATOM 645 CB ALA A 62 68.920 29.377 -12.942 1.00 0.00 C ATOM 0 H ALA A 62 68.979 30.962 -14.878 1.00 0.00 H new ATOM 0 HA ALA A 62 68.411 31.246 -12.012 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.194 28.896 -12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 62 67.885 29.137 -13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.572 29.016 -13.738 1.00 0.00 H new ATOM 651 N LEU A 63 70.822 31.088 -11.087 1.00 0.00 N ATOM 652 CA LEU A 63 72.092 31.474 -10.455 1.00 0.00 C ATOM 653 C LEU A 63 72.653 30.363 -9.555 1.00 0.00 C ATOM 654 O LEU A 63 71.905 29.540 -9.020 1.00 0.00 O ATOM 655 CB LEU A 63 71.883 32.750 -9.612 1.00 0.00 C ATOM 656 CG LEU A 63 71.474 34.015 -10.388 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.205 35.148 -9.400 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.573 34.479 -11.339 1.00 0.00 C ATOM 0 H LEU A 63 70.186 30.621 -10.441 1.00 0.00 H new ATOM 0 HA LEU A 63 72.812 31.655 -11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.118 32.545 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.807 32.961 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 63 70.584 33.769 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.915 36.046 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.400 34.858 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.108 35.350 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.244 35.374 -11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.475 34.704 -10.770 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.787 33.690 -12.061 1.00 0.00 H new ATOM 670 N HIS A 64 73.967 30.398 -9.321 1.00 0.00 N ATOM 671 CA HIS A 64 74.617 29.677 -8.221 1.00 0.00 C ATOM 672 C HIS A 64 74.463 30.469 -6.913 1.00 0.00 C ATOM 673 O HIS A 64 74.515 31.700 -6.925 1.00 0.00 O ATOM 674 CB HIS A 64 76.095 29.453 -8.561 1.00 0.00 C ATOM 675 CG HIS A 64 76.348 28.400 -9.609 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.252 27.019 -9.415 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.788 28.644 -10.876 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.642 26.464 -10.576 1.00 0.00 C ATOM 679 NE2 HIS A 64 76.970 27.413 -11.469 1.00 0.00 N ATOM 0 H HIS A 64 74.618 30.933 -9.896 1.00 0.00 H new ATOM 0 HA HIS A 64 74.142 28.705 -8.085 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.522 30.396 -8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.625 29.174 -7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.960 29.611 -11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.686 25.402 -10.765 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.297 27.251 -12.421 1.00 0.00 H new ATOM 687 N ALA A 65 74.294 29.772 -5.784 1.00 0.00 N ATOM 688 CA ALA A 65 73.998 30.382 -4.478 1.00 0.00 C ATOM 689 C ALA A 65 75.162 30.326 -3.462 1.00 0.00 C ATOM 690 O ALA A 65 75.058 30.901 -2.376 1.00 0.00 O ATOM 691 CB ALA A 65 72.727 29.712 -3.937 1.00 0.00 C ATOM 0 H ALA A 65 74.359 28.755 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 65 73.846 31.451 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.475 30.140 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.904 29.879 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 65 72.898 28.641 -3.828 1.00 0.00 H new ATOM 697 N GLU A 66 76.263 29.640 -3.790 1.00 0.00 N ATOM 698 CA GLU A 66 77.412 29.412 -2.896 1.00 0.00 C ATOM 699 C GLU A 66 78.756 29.341 -3.651 1.00 0.00 C ATOM 700 O GLU A 66 78.794 29.185 -4.876 1.00 0.00 O ATOM 701 CB GLU A 66 77.172 28.145 -2.050 1.00 0.00 C ATOM 702 CG GLU A 66 77.080 26.845 -2.865 1.00 0.00 C ATOM 703 CD GLU A 66 76.833 25.641 -1.937 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.816 25.042 -1.434 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.654 25.275 -1.702 1.00 0.00 O ATOM 0 H GLU A 66 76.386 29.215 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 66 77.490 30.274 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.980 28.049 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.249 28.270 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.272 26.922 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 66 78.002 26.695 -3.427 1.00 0.00 H new ATOM 712 N GLY A 67 79.867 29.456 -2.913 1.00 0.00 N ATOM 713 CA GLY A 67 81.228 29.421 -3.469 1.00 0.00 C ATOM 714 C GLY A 67 81.586 30.654 -4.321 1.00 0.00 C ATOM 715 O GLY A 67 80.911 31.687 -4.238 1.00 0.00 O ATOM 0 H GLY A 67 79.847 29.578 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.942 29.338 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.337 28.525 -4.080 1.00 0.00 H new ATOM 719 N PRO A 68 82.632 30.571 -5.171 1.00 0.00 N ATOM 720 CA PRO A 68 83.094 31.699 -5.991 1.00 0.00 C ATOM 721 C PRO A 68 82.101 32.112 -7.094 1.00 0.00 C ATOM 722 O PRO A 68 82.207 33.217 -7.630 1.00 0.00 O ATOM 723 CB PRO A 68 84.439 31.242 -6.570 1.00 0.00 C ATOM 724 CG PRO A 68 84.302 29.723 -6.638 1.00 0.00 C ATOM 725 CD PRO A 68 83.481 29.406 -5.390 1.00 0.00 C ATOM 0 HA PRO A 68 83.187 32.601 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.619 31.673 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.272 31.542 -5.934 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.796 29.402 -7.548 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.273 29.227 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.882 28.506 -5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.128 29.225 -4.531 1.00 0.00 H new ATOM 733 N LEU A 69 81.120 31.255 -7.419 1.00 0.00 N ATOM 734 CA LEU A 69 80.044 31.537 -8.377 1.00 0.00 C ATOM 735 C LEU A 69 78.768 32.115 -7.732 1.00 0.00 C ATOM 736 O LEU A 69 77.790 32.322 -8.442 1.00 0.00 O ATOM 737 CB LEU A 69 79.752 30.282 -9.224 1.00 0.00 C ATOM 738 CG LEU A 69 80.860 29.919 -10.231 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.585 28.530 -10.803 1.00 0.00 C ATOM 740 CD2 LEU A 69 80.956 30.912 -11.390 1.00 0.00 C ATOM 0 H LEU A 69 81.053 30.323 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 69 80.401 32.331 -9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.595 29.436 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 78.820 30.435 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 69 81.806 29.947 -9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.367 28.269 -11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.573 27.799 -9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.619 28.529 -11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 69 81.753 30.605 -12.067 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.010 30.933 -11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.174 31.906 -11.000 1.00 0.00 H new ATOM 752 N ALA A 70 78.724 32.401 -6.427 1.00 0.00 N ATOM 753 CA ALA A 70 77.520 32.942 -5.790 1.00 0.00 C ATOM 754 C ALA A 70 77.074 34.274 -6.441 1.00 0.00 C ATOM 755 O ALA A 70 77.771 35.290 -6.357 1.00 0.00 O ATOM 756 CB ALA A 70 77.769 33.093 -4.285 1.00 0.00 C ATOM 0 H ALA A 70 79.510 32.266 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 70 76.696 32.244 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.876 33.495 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.003 32.119 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.605 33.772 -4.121 1.00 0.00 H new ATOM 762 N GLY A 71 75.911 34.254 -7.102 1.00 0.00 N ATOM 763 CA GLY A 71 75.374 35.363 -7.907 1.00 0.00 C ATOM 764 C GLY A 71 75.751 35.347 -9.402 1.00 0.00 C ATOM 765 O GLY A 71 75.487 36.328 -10.099 1.00 0.00 O ATOM 0 H GLY A 71 75.296 33.440 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.287 35.354 -7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.719 36.302 -7.474 1.00 0.00 H new ATOM 769 N LEU A 72 76.351 34.260 -9.907 1.00 0.00 N ATOM 770 CA LEU A 72 76.763 34.046 -11.305 1.00 0.00 C ATOM 771 C LEU A 72 75.910 32.939 -11.989 1.00 0.00 C ATOM 772 O LEU A 72 75.311 32.115 -11.292 1.00 0.00 O ATOM 773 CB LEU A 72 78.296 33.796 -11.340 1.00 0.00 C ATOM 774 CG LEU A 72 79.115 35.060 -10.982 1.00 0.00 C ATOM 775 CD1 LEU A 72 79.454 35.211 -9.498 1.00 0.00 C ATOM 776 CD2 LEU A 72 80.450 35.085 -11.728 1.00 0.00 C ATOM 0 H LEU A 72 76.576 33.458 -9.318 1.00 0.00 H new ATOM 0 HA LEU A 72 76.568 34.937 -11.902 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.546 32.996 -10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.582 33.452 -12.334 1.00 0.00 H new ATOM 0 HG LEU A 72 78.456 35.877 -11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 72 80.028 36.125 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 72 78.533 35.261 -8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.043 34.354 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 72 81.002 35.985 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 72 81.034 34.205 -11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 72 80.266 35.083 -12.802 1.00 0.00 H new ATOM 788 N PRO A 73 75.800 32.930 -13.340 1.00 0.00 N ATOM 789 CA PRO A 73 74.912 32.042 -14.111 1.00 0.00 C ATOM 790 C PRO A 73 75.236 30.553 -13.974 1.00 0.00 C ATOM 791 O PRO A 73 76.362 30.188 -13.653 1.00 0.00 O ATOM 792 CB PRO A 73 75.081 32.456 -15.580 1.00 0.00 C ATOM 793 CG PRO A 73 76.430 33.160 -15.624 1.00 0.00 C ATOM 794 CD PRO A 73 76.508 33.813 -14.254 1.00 0.00 C ATOM 0 HA PRO A 73 73.896 32.153 -13.733 1.00 0.00 H new ATOM 0 HB2 PRO A 73 75.064 31.590 -16.241 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.277 33.118 -15.901 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.248 32.458 -15.786 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.477 33.896 -16.427 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.545 33.943 -13.944 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.053 34.803 -14.269 1.00 0.00 H new ATOM 802 N VAL A 74 74.290 29.680 -14.328 1.00 0.00 N ATOM 803 CA VAL A 74 74.509 28.224 -14.405 1.00 0.00 C ATOM 804 C VAL A 74 74.608 27.736 -15.863 1.00 0.00 C ATOM 805 O VAL A 74 75.344 26.787 -16.131 1.00 0.00 O ATOM 806 CB VAL A 74 73.415 27.464 -13.631 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.787 25.991 -13.420 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.136 28.064 -12.242 1.00 0.00 C ATOM 0 H VAL A 74 73.340 29.961 -14.572 1.00 0.00 H new ATOM 0 HA VAL A 74 75.468 28.010 -13.932 1.00 0.00 H new ATOM 0 HB VAL A 74 72.524 27.553 -14.252 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.990 25.490 -12.871 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.921 25.507 -14.388 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.715 25.928 -12.852 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.357 27.486 -11.746 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.046 28.035 -11.643 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.807 29.097 -12.351 1.00 0.00 H new ATOM 818 N THR A 75 73.931 28.398 -16.812 1.00 0.00 N ATOM 819 CA THR A 75 73.894 28.028 -18.249 1.00 0.00 C ATOM 820 C THR A 75 74.269 29.168 -19.202 1.00 0.00 C ATOM 821 O THR A 75 74.378 30.327 -18.802 1.00 0.00 O ATOM 822 CB THR A 75 72.521 27.463 -18.648 1.00 0.00 C ATOM 823 OG1 THR A 75 71.566 28.502 -18.663 1.00 0.00 O ATOM 824 CG2 THR A 75 72.076 26.352 -17.703 1.00 0.00 C ATOM 0 H THR A 75 73.377 29.229 -16.604 1.00 0.00 H new ATOM 0 HA THR A 75 74.660 27.260 -18.355 1.00 0.00 H new ATOM 0 HB THR A 75 72.608 27.032 -19.645 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.692 28.140 -18.919 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.102 25.977 -18.016 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.803 25.540 -17.728 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.005 26.744 -16.688 1.00 0.00 H new ATOM 832 N ARG A 76 74.442 28.852 -20.497 1.00 0.00 N ATOM 833 CA ARG A 76 74.653 29.847 -21.570 1.00 0.00 C ATOM 834 C ARG A 76 73.460 30.802 -21.670 1.00 0.00 C ATOM 835 O ARG A 76 73.651 32.012 -21.777 1.00 0.00 O ATOM 836 CB ARG A 76 74.912 29.095 -22.894 1.00 0.00 C ATOM 837 CG ARG A 76 74.990 30.009 -24.130 1.00 0.00 C ATOM 838 CD ARG A 76 75.241 29.203 -25.412 1.00 0.00 C ATOM 839 NE ARG A 76 76.654 28.789 -25.535 1.00 0.00 N ATOM 840 CZ ARG A 76 77.601 29.414 -26.212 1.00 0.00 C ATOM 841 NH1 ARG A 76 77.410 30.534 -26.841 1.00 0.00 N ATOM 842 NH2 ARG A 76 78.806 28.942 -26.300 1.00 0.00 N ATOM 0 H ARG A 76 74.440 27.890 -20.835 1.00 0.00 H new ATOM 0 HA ARG A 76 75.522 30.465 -21.343 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.845 28.539 -22.807 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.118 28.364 -23.046 1.00 0.00 H new ATOM 0 HG2 ARG A 76 74.061 30.570 -24.228 1.00 0.00 H new ATOM 0 HG3 ARG A 76 75.789 30.738 -23.995 1.00 0.00 H new ATOM 0 HD2 ARG A 76 74.602 28.320 -25.416 1.00 0.00 H new ATOM 0 HD3 ARG A 76 74.962 29.803 -26.278 1.00 0.00 H new ATOM 0 HE ARG A 76 76.926 27.935 -25.048 1.00 0.00 H new ATOM 0 HH11 ARG A 76 76.491 30.976 -26.828 1.00 0.00 H new ATOM 0 HH12 ARG A 76 78.179 30.972 -27.348 1.00 0.00 H new ATOM 0 HH21 ARG A 76 79.045 28.064 -25.839 1.00 0.00 H new ATOM 0 HH22 ARG A 76 79.515 29.449 -26.830 1.00 0.00 H new ATOM 856 N SER A 77 72.247 30.264 -21.555 1.00 0.00 N ATOM 857 CA SER A 77 71.006 31.047 -21.494 1.00 0.00 C ATOM 858 C SER A 77 71.009 31.986 -20.288 1.00 0.00 C ATOM 859 O SER A 77 70.749 33.178 -20.452 1.00 0.00 O ATOM 860 CB SER A 77 69.783 30.123 -21.441 1.00 0.00 C ATOM 861 OG SER A 77 69.792 29.232 -22.550 1.00 0.00 O ATOM 0 H SER A 77 72.092 29.257 -21.500 1.00 0.00 H new ATOM 0 HA SER A 77 70.949 31.651 -22.400 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.786 29.556 -20.510 1.00 0.00 H new ATOM 0 HB3 SER A 77 68.869 30.717 -21.450 1.00 0.00 H new ATOM 0 HG SER A 77 69.008 28.646 -22.505 1.00 0.00 H new ATOM 867 N ASP A 78 71.404 31.501 -19.102 1.00 0.00 N ATOM 868 CA ASP A 78 71.528 32.365 -17.922 1.00 0.00 C ATOM 869 C ASP A 78 72.541 33.489 -18.171 1.00 0.00 C ATOM 870 O ASP A 78 72.228 34.657 -17.955 1.00 0.00 O ATOM 871 CB ASP A 78 71.978 31.585 -16.683 1.00 0.00 C ATOM 872 CG ASP A 78 71.054 30.460 -16.213 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.825 30.509 -16.459 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.595 29.558 -15.533 1.00 0.00 O ATOM 0 H ASP A 78 71.641 30.523 -18.936 1.00 0.00 H new ATOM 0 HA ASP A 78 70.537 32.781 -17.743 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.960 31.158 -16.887 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.102 32.291 -15.862 1.00 0.00 H new ATOM 879 N ALA A 79 73.738 33.159 -18.670 1.00 0.00 N ATOM 880 CA ALA A 79 74.807 34.123 -18.911 1.00 0.00 C ATOM 881 C ALA A 79 74.408 35.209 -19.929 1.00 0.00 C ATOM 882 O ALA A 79 74.623 36.392 -19.672 1.00 0.00 O ATOM 883 CB ALA A 79 76.066 33.342 -19.323 1.00 0.00 C ATOM 0 H ALA A 79 73.990 32.203 -18.919 1.00 0.00 H new ATOM 0 HA ALA A 79 75.014 34.679 -17.996 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.882 34.040 -19.510 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.349 32.659 -18.522 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.861 32.773 -20.230 1.00 0.00 H new ATOM 889 N ARG A 80 73.756 34.847 -21.045 1.00 0.00 N ATOM 890 CA ARG A 80 73.297 35.820 -22.058 1.00 0.00 C ATOM 891 C ARG A 80 72.154 36.705 -21.546 1.00 0.00 C ATOM 892 O ARG A 80 72.185 37.916 -21.757 1.00 0.00 O ATOM 893 CB ARG A 80 72.946 35.073 -23.360 1.00 0.00 C ATOM 894 CG ARG A 80 72.736 36.048 -24.532 1.00 0.00 C ATOM 895 CD ARG A 80 72.525 35.303 -25.855 1.00 0.00 C ATOM 896 NE ARG A 80 72.347 36.252 -26.976 1.00 0.00 N ATOM 897 CZ ARG A 80 72.264 35.955 -28.263 1.00 0.00 C ATOM 898 NH1 ARG A 80 72.314 34.727 -28.694 1.00 0.00 N ATOM 899 NH2 ARG A 80 72.129 36.898 -29.150 1.00 0.00 N ATOM 0 H ARG A 80 73.531 33.878 -21.273 1.00 0.00 H new ATOM 0 HA ARG A 80 74.110 36.514 -22.272 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.745 34.374 -23.606 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.042 34.483 -23.210 1.00 0.00 H new ATOM 0 HG2 ARG A 80 71.873 36.681 -24.329 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.601 36.706 -24.618 1.00 0.00 H new ATOM 0 HD2 ARG A 80 73.380 34.657 -26.053 1.00 0.00 H new ATOM 0 HD3 ARG A 80 71.650 34.658 -25.778 1.00 0.00 H new ATOM 0 HE ARG A 80 72.281 37.240 -26.731 1.00 0.00 H new ATOM 0 HH11 ARG A 80 72.420 33.958 -28.032 1.00 0.00 H new ATOM 0 HH12 ARG A 80 72.247 34.534 -29.693 1.00 0.00 H new ATOM 0 HH21 ARG A 80 72.087 37.873 -28.855 1.00 0.00 H new ATOM 0 HH22 ARG A 80 72.066 36.662 -30.140 1.00 0.00 H new ATOM 913 N VAL A 81 71.192 36.138 -20.812 1.00 0.00 N ATOM 914 CA VAL A 81 70.097 36.910 -20.184 1.00 0.00 C ATOM 915 C VAL A 81 70.634 37.865 -19.122 1.00 0.00 C ATOM 916 O VAL A 81 70.227 39.021 -19.084 1.00 0.00 O ATOM 917 CB VAL A 81 69.035 35.976 -19.576 1.00 0.00 C ATOM 918 CG1 VAL A 81 67.974 36.717 -18.750 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.301 35.243 -20.695 1.00 0.00 C ATOM 0 H VAL A 81 71.143 35.135 -20.632 1.00 0.00 H new ATOM 0 HA VAL A 81 69.624 37.501 -20.968 1.00 0.00 H new ATOM 0 HB VAL A 81 69.574 35.296 -18.917 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.257 35.999 -18.351 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.456 37.244 -17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.454 37.434 -19.385 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.549 34.582 -20.265 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.815 35.968 -21.348 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.014 34.655 -21.273 1.00 0.00 H new ATOM 929 N LEU A 82 71.582 37.420 -18.298 1.00 0.00 N ATOM 930 CA LEU A 82 72.228 38.276 -17.291 1.00 0.00 C ATOM 931 C LEU A 82 73.058 39.401 -17.921 1.00 0.00 C ATOM 932 O LEU A 82 72.938 40.536 -17.465 1.00 0.00 O ATOM 933 CB LEU A 82 73.082 37.439 -16.327 1.00 0.00 C ATOM 934 CG LEU A 82 72.261 36.554 -15.373 1.00 0.00 C ATOM 935 CD1 LEU A 82 73.213 35.632 -14.619 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.454 37.348 -14.344 1.00 0.00 C ATOM 0 H LEU A 82 71.926 36.460 -18.306 1.00 0.00 H new ATOM 0 HA LEU A 82 71.429 38.753 -16.723 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.752 36.805 -16.908 1.00 0.00 H new ATOM 0 HB3 LEU A 82 73.708 38.109 -15.737 1.00 0.00 H new ATOM 0 HG LEU A 82 71.551 36.003 -15.989 1.00 0.00 H new ATOM 0 HD11 LEU A 82 72.644 34.999 -13.939 1.00 0.00 H new ATOM 0 HD12 LEU A 82 73.753 35.007 -15.330 1.00 0.00 H new ATOM 0 HD13 LEU A 82 73.923 36.230 -14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 82 70.900 36.659 -13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.131 37.945 -13.733 1.00 0.00 H new ATOM 0 HD23 LEU A 82 70.755 38.007 -14.859 1.00 0.00 H new ATOM 948 N ILE A 83 73.818 39.136 -18.996 1.00 0.00 N ATOM 949 CA ILE A 83 74.474 40.191 -19.797 1.00 0.00 C ATOM 950 C ILE A 83 73.433 41.225 -20.243 1.00 0.00 C ATOM 951 O ILE A 83 73.621 42.417 -20.008 1.00 0.00 O ATOM 952 CB ILE A 83 75.240 39.594 -21.008 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.544 38.929 -20.510 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.564 40.659 -22.083 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.184 37.972 -21.525 1.00 0.00 C ATOM 0 H ILE A 83 73.996 38.191 -19.336 1.00 0.00 H new ATOM 0 HA ILE A 83 75.215 40.691 -19.174 1.00 0.00 H new ATOM 0 HB ILE A 83 74.595 38.852 -21.478 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.263 39.708 -20.257 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.332 38.380 -19.592 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.100 40.191 -22.909 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.637 41.096 -22.453 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.184 41.441 -21.645 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.094 37.547 -21.101 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.484 37.170 -21.761 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.430 38.518 -22.436 1.00 0.00 H new ATOM 967 N PHE A 84 72.322 40.775 -20.837 1.00 0.00 N ATOM 968 CA PHE A 84 71.281 41.670 -21.336 1.00 0.00 C ATOM 969 C PHE A 84 70.592 42.477 -20.226 1.00 0.00 C ATOM 970 O PHE A 84 70.447 43.686 -20.362 1.00 0.00 O ATOM 971 CB PHE A 84 70.250 40.866 -22.139 1.00 0.00 C ATOM 972 CG PHE A 84 69.326 41.747 -22.956 1.00 0.00 C ATOM 973 CD1 PHE A 84 69.855 42.508 -24.014 1.00 0.00 C ATOM 974 CD2 PHE A 84 67.951 41.830 -22.658 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.017 43.306 -24.802 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.115 42.660 -23.427 1.00 0.00 C ATOM 977 CZ PHE A 84 67.645 43.392 -24.505 1.00 0.00 C ATOM 0 H PHE A 84 72.123 39.785 -20.983 1.00 0.00 H new ATOM 0 HA PHE A 84 71.768 42.400 -21.982 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.771 40.178 -22.805 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.656 40.260 -21.455 1.00 0.00 H new ATOM 0 HD1 PHE A 84 70.915 42.477 -24.220 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.540 41.257 -21.840 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.424 43.856 -25.638 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.064 42.735 -23.189 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.000 44.019 -25.103 1.00 0.00 H new ATOM 987 N ASN A 85 70.197 41.836 -19.121 1.00 0.00 N ATOM 988 CA ASN A 85 69.469 42.469 -18.020 1.00 0.00 C ATOM 989 C ASN A 85 70.344 43.456 -17.221 1.00 0.00 C ATOM 990 O ASN A 85 69.909 44.579 -16.947 1.00 0.00 O ATOM 991 CB ASN A 85 68.888 41.361 -17.127 1.00 0.00 C ATOM 992 CG ASN A 85 68.088 41.930 -15.965 1.00 0.00 C ATOM 993 OD1 ASN A 85 68.561 42.021 -14.842 1.00 0.00 O ATOM 994 ND2 ASN A 85 66.860 42.340 -16.198 1.00 0.00 N ATOM 0 H ASN A 85 70.378 40.844 -18.965 1.00 0.00 H new ATOM 0 HA ASN A 85 68.660 43.074 -18.429 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.248 40.711 -17.724 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.699 40.743 -16.741 1.00 0.00 H new ATOM 0 HD21 ASN A 85 66.302 42.734 -15.441 1.00 0.00 H new ATOM 0 HD22 ASN A 85 66.466 42.264 -17.136 1.00 0.00 H new ATOM 1001 N GLU A 86 71.586 43.072 -16.897 1.00 0.00 N ATOM 1002 CA GLU A 86 72.539 43.997 -16.279 1.00 0.00 C ATOM 1003 C GLU A 86 72.806 45.176 -17.211 1.00 0.00 C ATOM 1004 O GLU A 86 72.612 46.312 -16.790 1.00 0.00 O ATOM 1005 CB GLU A 86 73.864 43.315 -15.902 1.00 0.00 C ATOM 1006 CG GLU A 86 73.773 42.496 -14.607 1.00 0.00 C ATOM 1007 CD GLU A 86 73.536 43.397 -13.375 1.00 0.00 C ATOM 1008 OE1 GLU A 86 74.394 44.263 -13.072 1.00 0.00 O ATOM 1009 OE2 GLU A 86 72.493 43.244 -12.696 1.00 0.00 O ATOM 0 H GLU A 86 71.951 42.132 -17.052 1.00 0.00 H new ATOM 0 HA GLU A 86 72.085 44.353 -15.354 1.00 0.00 H new ATOM 0 HB2 GLU A 86 74.174 42.661 -16.717 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.638 44.075 -15.791 1.00 0.00 H new ATOM 0 HG2 GLU A 86 72.962 41.773 -14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.693 41.928 -14.471 1.00 0.00 H new ATOM 1016 N TRP A 87 73.168 44.944 -18.479 1.00 0.00 N ATOM 1017 CA TRP A 87 73.369 46.043 -19.418 1.00 0.00 C ATOM 1018 C TRP A 87 72.130 46.938 -19.533 1.00 0.00 C ATOM 1019 O TRP A 87 72.278 48.145 -19.415 1.00 0.00 O ATOM 1020 CB TRP A 87 73.758 45.491 -20.781 1.00 0.00 C ATOM 1021 CG TRP A 87 73.749 46.498 -21.879 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.691 47.435 -22.125 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.753 46.636 -22.929 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.368 48.105 -23.292 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.191 47.643 -23.836 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.563 45.953 -23.247 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.531 47.905 -25.044 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 70.886 46.231 -24.442 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.360 47.195 -25.348 1.00 0.00 C ATOM 0 H TRP A 87 73.325 44.015 -18.870 1.00 0.00 H new ATOM 0 HA TRP A 87 74.177 46.666 -19.034 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.755 45.056 -20.712 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.074 44.683 -21.040 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.557 47.630 -21.510 1.00 0.00 H new ATOM 0 HE1 TRP A 87 74.933 48.850 -23.699 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.170 45.212 -22.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 72.918 48.643 -25.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 69.979 45.692 -24.672 1.00 0.00 H new ATOM 0 HH2 TRP A 87 70.829 47.387 -26.268 1.00 0.00 H new ATOM 1040 N GLU A 88 70.925 46.384 -19.677 1.00 0.00 N ATOM 1041 CA GLU A 88 69.670 47.141 -19.717 1.00 0.00 C ATOM 1042 C GLU A 88 69.526 48.103 -18.526 1.00 0.00 C ATOM 1043 O GLU A 88 69.355 49.307 -18.734 1.00 0.00 O ATOM 1044 CB GLU A 88 68.476 46.171 -19.751 1.00 0.00 C ATOM 1045 CG GLU A 88 68.011 45.804 -21.165 1.00 0.00 C ATOM 1046 CD GLU A 88 67.018 46.863 -21.677 1.00 0.00 C ATOM 1047 OE1 GLU A 88 65.835 46.823 -21.251 1.00 0.00 O ATOM 1048 OE2 GLU A 88 67.417 47.767 -22.449 1.00 0.00 O ATOM 0 H GLU A 88 70.790 45.377 -19.771 1.00 0.00 H new ATOM 0 HA GLU A 88 69.686 47.747 -20.623 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.747 45.258 -19.220 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.642 46.618 -19.210 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.868 45.742 -21.835 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.539 44.822 -21.159 1.00 0.00 H new ATOM 1055 N GLU A 89 69.620 47.623 -17.282 1.00 0.00 N ATOM 1056 CA GLU A 89 69.393 48.496 -16.118 1.00 0.00 C ATOM 1057 C GLU A 89 70.563 49.464 -15.860 1.00 0.00 C ATOM 1058 O GLU A 89 70.355 50.670 -15.655 1.00 0.00 O ATOM 1059 CB GLU A 89 69.060 47.659 -14.874 1.00 0.00 C ATOM 1060 CG GLU A 89 67.818 46.769 -15.054 1.00 0.00 C ATOM 1061 CD GLU A 89 66.582 47.563 -15.527 1.00 0.00 C ATOM 1062 OE1 GLU A 89 66.045 48.379 -14.740 1.00 0.00 O ATOM 1063 OE2 GLU A 89 66.143 47.383 -16.690 1.00 0.00 O ATOM 0 H GLU A 89 69.847 46.655 -17.054 1.00 0.00 H new ATOM 0 HA GLU A 89 68.533 49.125 -16.349 1.00 0.00 H new ATOM 0 HB2 GLU A 89 69.916 47.031 -14.628 1.00 0.00 H new ATOM 0 HB3 GLU A 89 68.900 48.327 -14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 89 68.040 45.984 -15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.589 46.276 -14.109 1.00 0.00 H new ATOM 1070 N ARG A 90 71.807 48.969 -15.961 1.00 0.00 N ATOM 1071 CA ARG A 90 73.019 49.799 -15.851 1.00 0.00 C ATOM 1072 C ARG A 90 72.983 50.906 -16.894 1.00 0.00 C ATOM 1073 O ARG A 90 73.200 52.058 -16.553 1.00 0.00 O ATOM 1074 CB ARG A 90 74.299 48.968 -16.043 1.00 0.00 C ATOM 1075 CG ARG A 90 74.469 47.834 -15.027 1.00 0.00 C ATOM 1076 CD ARG A 90 75.014 48.238 -13.658 1.00 0.00 C ATOM 1077 NE ARG A 90 75.066 47.049 -12.789 1.00 0.00 N ATOM 1078 CZ ARG A 90 75.441 46.964 -11.531 1.00 0.00 C ATOM 1079 NH1 ARG A 90 75.869 47.986 -10.845 1.00 0.00 N ATOM 1080 NH2 ARG A 90 75.378 45.799 -10.960 1.00 0.00 N ATOM 0 H ARG A 90 72.002 47.981 -16.121 1.00 0.00 H new ATOM 0 HA ARG A 90 73.035 50.225 -14.848 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.296 48.544 -17.047 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.162 49.631 -15.979 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.501 47.353 -14.883 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.136 47.086 -15.455 1.00 0.00 H new ATOM 0 HD2 ARG A 90 76.009 48.671 -13.762 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.379 49.003 -13.211 1.00 0.00 H new ATOM 0 HE ARG A 90 74.771 46.173 -13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 90 75.925 48.906 -11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 90 76.148 47.866 -9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 90 75.046 44.990 -11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 90 75.660 45.693 -9.986 1.00 0.00 H new ATOM 1094 N LYS A 91 72.630 50.589 -18.142 1.00 0.00 N ATOM 1095 CA LYS A 91 72.531 51.563 -19.247 1.00 0.00 C ATOM 1096 C LYS A 91 71.361 52.537 -19.099 1.00 0.00 C ATOM 1097 O LYS A 91 71.514 53.699 -19.466 1.00 0.00 O ATOM 1098 CB LYS A 91 72.495 50.828 -20.603 1.00 0.00 C ATOM 1099 CG LYS A 91 72.684 51.693 -21.865 1.00 0.00 C ATOM 1100 CD LYS A 91 71.364 52.156 -22.506 1.00 0.00 C ATOM 1101 CE LYS A 91 71.648 52.871 -23.837 1.00 0.00 C ATOM 1102 NZ LYS A 91 70.390 53.304 -24.515 1.00 0.00 N ATOM 0 H LYS A 91 72.400 49.636 -18.424 1.00 0.00 H new ATOM 0 HA LYS A 91 73.426 52.183 -19.205 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.271 50.063 -20.596 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.539 50.311 -20.685 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.279 52.569 -21.607 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.255 51.126 -22.600 1.00 0.00 H new ATOM 0 HD2 LYS A 91 70.712 51.299 -22.676 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.837 52.828 -21.828 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.280 53.740 -23.655 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.205 52.205 -24.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.624 53.782 -25.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 69.798 52.472 -24.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 69.871 53.960 -23.897 1.00 0.00 H new ATOM 1116 N LYS A 92 70.232 52.134 -18.502 1.00 0.00 N ATOM 1117 CA LYS A 92 69.172 53.082 -18.093 1.00 0.00 C ATOM 1118 C LYS A 92 69.681 54.088 -17.046 1.00 0.00 C ATOM 1119 O LYS A 92 69.262 55.247 -17.082 1.00 0.00 O ATOM 1120 CB LYS A 92 67.927 52.321 -17.606 1.00 0.00 C ATOM 1121 CG LYS A 92 67.190 51.659 -18.784 1.00 0.00 C ATOM 1122 CD LYS A 92 66.252 50.538 -18.316 1.00 0.00 C ATOM 1123 CE LYS A 92 65.945 49.613 -19.498 1.00 0.00 C ATOM 1124 NZ LYS A 92 65.180 48.412 -19.080 1.00 0.00 N ATOM 0 H LYS A 92 70.023 51.159 -18.289 1.00 0.00 H new ATOM 0 HA LYS A 92 68.884 53.666 -18.967 1.00 0.00 H new ATOM 0 HB2 LYS A 92 68.221 51.560 -16.883 1.00 0.00 H new ATOM 0 HB3 LYS A 92 67.255 53.008 -17.091 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.615 52.413 -19.322 1.00 0.00 H new ATOM 0 HG3 LYS A 92 67.919 51.253 -19.486 1.00 0.00 H new ATOM 0 HD2 LYS A 92 66.716 49.973 -17.507 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.329 50.961 -17.920 1.00 0.00 H new ATOM 0 HE2 LYS A 92 65.377 50.161 -20.249 1.00 0.00 H new ATOM 0 HE3 LYS A 92 66.878 49.303 -19.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 65.322 47.651 -19.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 65.513 48.096 -18.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 64.168 48.646 -19.026 1.00 0.00 H new ATOM 1138 N SER A 93 70.634 53.698 -16.191 1.00 0.00 N ATOM 1139 CA SER A 93 71.401 54.654 -15.359 1.00 0.00 C ATOM 1140 C SER A 93 72.590 55.345 -16.076 1.00 0.00 C ATOM 1141 O SER A 93 72.998 56.433 -15.668 1.00 0.00 O ATOM 1142 CB SER A 93 71.903 53.966 -14.081 1.00 0.00 C ATOM 1143 OG SER A 93 70.806 53.532 -13.287 1.00 0.00 O ATOM 0 H SER A 93 70.899 52.723 -16.051 1.00 0.00 H new ATOM 0 HA SER A 93 70.694 55.449 -15.123 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.531 53.114 -14.342 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.524 54.656 -13.509 1.00 0.00 H new ATOM 0 HG SER A 93 71.141 53.094 -12.477 1.00 0.00 H new ATOM 1149 N GLU A 94 73.151 54.741 -17.129 1.00 0.00 N ATOM 1150 CA GLU A 94 74.442 55.080 -17.759 1.00 0.00 C ATOM 1151 C GLU A 94 74.381 54.928 -19.300 1.00 0.00 C ATOM 1152 O GLU A 94 74.850 53.920 -19.840 1.00 0.00 O ATOM 1153 CB GLU A 94 75.559 54.168 -17.201 1.00 0.00 C ATOM 1154 CG GLU A 94 75.688 54.178 -15.679 1.00 0.00 C ATOM 1155 CD GLU A 94 76.933 53.390 -15.220 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.067 53.926 -15.307 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.791 52.239 -14.736 1.00 0.00 O ATOM 0 H GLU A 94 72.694 53.957 -17.595 1.00 0.00 H new ATOM 0 HA GLU A 94 74.660 56.122 -17.524 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.373 53.146 -17.530 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.511 54.474 -17.635 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.754 55.206 -15.324 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.794 53.743 -15.233 1.00 0.00 H new ATOM 1164 N PRO A 95 73.809 55.888 -20.053 1.00 0.00 N ATOM 1165 CA PRO A 95 73.459 55.713 -21.473 1.00 0.00 C ATOM 1166 C PRO A 95 74.630 55.434 -22.445 1.00 0.00 C ATOM 1167 O PRO A 95 74.395 55.151 -23.621 1.00 0.00 O ATOM 1168 CB PRO A 95 72.663 56.972 -21.855 1.00 0.00 C ATOM 1169 CG PRO A 95 73.061 58.005 -20.800 1.00 0.00 C ATOM 1170 CD PRO A 95 73.273 57.146 -19.559 1.00 0.00 C ATOM 0 HA PRO A 95 72.881 54.795 -21.579 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.915 57.312 -22.860 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.590 56.783 -21.842 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.967 58.543 -21.080 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.281 58.751 -20.648 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.964 57.622 -18.864 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.337 56.992 -19.022 1.00 0.00 H new ATOM 1178 N TRP A 96 75.877 55.471 -21.968 1.00 0.00 N ATOM 1179 CA TRP A 96 77.110 55.152 -22.701 1.00 0.00 C ATOM 1180 C TRP A 96 77.523 53.660 -22.672 1.00 0.00 C ATOM 1181 O TRP A 96 78.514 53.300 -23.312 1.00 0.00 O ATOM 1182 CB TRP A 96 78.224 56.054 -22.147 1.00 0.00 C ATOM 1183 CG TRP A 96 78.397 56.011 -20.655 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.145 55.116 -19.969 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.787 56.877 -19.647 1.00 0.00 C ATOM 1186 NE1 TRP A 96 79.049 55.373 -18.614 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.221 56.446 -18.357 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.900 57.976 -19.692 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.793 57.068 -17.175 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.469 58.610 -18.510 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.909 58.157 -17.254 1.00 0.00 C ATOM 0 H TRP A 96 76.067 55.740 -21.003 1.00 0.00 H new ATOM 0 HA TRP A 96 76.926 55.344 -23.758 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.167 55.770 -22.615 1.00 0.00 H new ATOM 0 HB3 TRP A 96 78.019 57.083 -22.444 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.728 54.322 -20.412 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.531 54.836 -17.893 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.547 58.336 -20.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.139 56.714 -16.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.795 59.451 -18.569 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.568 58.645 -16.353 1.00 0.00 H new ATOM 1202 N LEU A 97 76.809 52.780 -21.950 1.00 0.00 N ATOM 1203 CA LEU A 97 77.135 51.351 -21.808 1.00 0.00 C ATOM 1204 C LEU A 97 77.230 50.602 -23.163 1.00 0.00 C ATOM 1205 O LEU A 97 76.394 50.802 -24.048 1.00 0.00 O ATOM 1206 CB LEU A 97 76.041 50.695 -20.935 1.00 0.00 C ATOM 1207 CG LEU A 97 76.461 49.760 -19.790 1.00 0.00 C ATOM 1208 CD1 LEU A 97 77.688 48.883 -20.044 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.720 50.539 -18.514 1.00 0.00 C ATOM 0 H LEU A 97 75.969 53.049 -21.437 1.00 0.00 H new ATOM 0 HA LEU A 97 78.121 51.279 -21.348 1.00 0.00 H new ATOM 0 HB2 LEU A 97 75.441 51.496 -20.502 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.386 50.129 -21.598 1.00 0.00 H new ATOM 0 HG LEU A 97 75.606 49.090 -19.704 1.00 0.00 H new ATOM 0 HD11 LEU A 97 77.884 48.269 -19.165 1.00 0.00 H new ATOM 0 HD12 LEU A 97 77.503 48.238 -20.903 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.552 49.516 -20.245 1.00 0.00 H new ATOM 0 HD21 LEU A 97 77.015 49.851 -17.722 1.00 0.00 H new ATOM 0 HD22 LEU A 97 77.519 51.261 -18.684 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.812 51.065 -18.218 1.00 0.00 H new ATOM 1221 N ARG A 98 78.188 49.666 -23.292 1.00 0.00 N ATOM 1222 CA ARG A 98 78.356 48.769 -24.460 1.00 0.00 C ATOM 1223 C ARG A 98 77.849 47.342 -24.182 1.00 0.00 C ATOM 1224 O ARG A 98 77.828 46.900 -23.035 1.00 0.00 O ATOM 1225 CB ARG A 98 79.824 48.755 -24.936 1.00 0.00 C ATOM 1226 CG ARG A 98 80.330 50.096 -25.506 1.00 0.00 C ATOM 1227 CD ARG A 98 80.888 51.082 -24.466 1.00 0.00 C ATOM 1228 NE ARG A 98 82.120 50.579 -23.821 1.00 0.00 N ATOM 1229 CZ ARG A 98 83.365 50.704 -24.254 1.00 0.00 C ATOM 1230 NH1 ARG A 98 83.657 51.305 -25.374 1.00 0.00 N ATOM 1231 NH2 ARG A 98 84.355 50.218 -23.560 1.00 0.00 N ATOM 0 H ARG A 98 78.889 49.505 -22.568 1.00 0.00 H new ATOM 0 HA ARG A 98 77.738 49.171 -25.263 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.460 48.469 -24.099 1.00 0.00 H new ATOM 0 HB3 ARG A 98 79.937 47.986 -25.700 1.00 0.00 H new ATOM 0 HG2 ARG A 98 81.108 49.889 -26.241 1.00 0.00 H new ATOM 0 HG3 ARG A 98 79.510 50.579 -26.037 1.00 0.00 H new ATOM 0 HD2 ARG A 98 81.097 52.037 -24.949 1.00 0.00 H new ATOM 0 HD3 ARG A 98 80.132 51.269 -23.704 1.00 0.00 H new ATOM 0 HE ARG A 98 81.996 50.078 -22.941 1.00 0.00 H new ATOM 0 HH11 ARG A 98 82.913 51.699 -25.950 1.00 0.00 H new ATOM 0 HH12 ARG A 98 84.629 51.381 -25.674 1.00 0.00 H new ATOM 0 HH21 ARG A 98 84.173 49.738 -22.678 1.00 0.00 H new ATOM 0 HH22 ARG A 98 85.312 50.317 -23.898 1.00 0.00 H new ATOM 1245 N LEU A 99 77.449 46.627 -25.237 1.00 0.00 N ATOM 1246 CA LEU A 99 76.814 45.299 -25.188 1.00 0.00 C ATOM 1247 C LEU A 99 77.566 44.315 -26.100 1.00 0.00 C ATOM 1248 O LEU A 99 77.788 44.604 -27.278 1.00 0.00 O ATOM 1249 CB LEU A 99 75.338 45.494 -25.593 1.00 0.00 C ATOM 1250 CG LEU A 99 74.324 44.341 -25.435 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.483 43.330 -26.575 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.341 43.677 -24.059 1.00 0.00 C ATOM 0 H LEU A 99 77.562 46.969 -26.191 1.00 0.00 H new ATOM 0 HA LEU A 99 76.855 44.863 -24.190 1.00 0.00 H new ATOM 0 HB2 LEU A 99 74.956 46.339 -25.020 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.328 45.789 -26.642 1.00 0.00 H new ATOM 0 HG LEU A 99 73.332 44.788 -25.504 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.761 42.523 -26.449 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.309 43.827 -27.529 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.493 42.919 -26.559 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.600 42.878 -24.031 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.330 43.261 -23.868 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.105 44.417 -23.295 1.00 0.00 H new ATOM 1264 N ASP A 100 77.951 43.153 -25.565 1.00 0.00 N ATOM 1265 CA ASP A 100 78.663 42.096 -26.300 1.00 0.00 C ATOM 1266 C ASP A 100 78.198 40.701 -25.846 1.00 0.00 C ATOM 1267 O ASP A 100 78.163 40.411 -24.649 1.00 0.00 O ATOM 1268 CB ASP A 100 80.181 42.275 -26.110 1.00 0.00 C ATOM 1269 CG ASP A 100 81.045 41.315 -26.955 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.506 40.575 -27.813 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.286 41.324 -26.768 1.00 0.00 O ATOM 0 H ASP A 100 77.774 42.913 -24.590 1.00 0.00 H new ATOM 0 HA ASP A 100 78.432 42.179 -27.362 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.448 43.302 -26.361 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.423 42.131 -25.057 1.00 0.00 H new ATOM 1276 N MET A 101 77.825 39.845 -26.805 1.00 0.00 N ATOM 1277 CA MET A 101 77.310 38.485 -26.582 1.00 0.00 C ATOM 1278 C MET A 101 78.069 37.408 -27.391 1.00 0.00 C ATOM 1279 O MET A 101 77.631 36.256 -27.446 1.00 0.00 O ATOM 1280 CB MET A 101 75.795 38.458 -26.861 1.00 0.00 C ATOM 1281 CG MET A 101 75.003 39.369 -25.915 1.00 0.00 C ATOM 1282 SD MET A 101 73.230 39.411 -26.284 1.00 0.00 S ATOM 1283 CE MET A 101 72.645 40.533 -24.987 1.00 0.00 C ATOM 0 H MET A 101 77.875 40.088 -27.794 1.00 0.00 H new ATOM 0 HA MET A 101 77.484 38.228 -25.537 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.614 38.765 -27.891 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.430 37.435 -26.764 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.146 39.029 -24.889 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.404 40.381 -25.975 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.854 40.047 -24.415 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.472 40.783 -24.322 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.257 41.444 -25.442 1.00 0.00 H new ATOM 1293 N SER A 102 79.207 37.753 -28.009 1.00 0.00 N ATOM 1294 CA SER A 102 80.099 36.781 -28.666 1.00 0.00 C ATOM 1295 C SER A 102 80.774 35.859 -27.641 1.00 0.00 C ATOM 1296 O SER A 102 80.991 36.244 -26.493 1.00 0.00 O ATOM 1297 CB SER A 102 81.159 37.498 -29.515 1.00 0.00 C ATOM 1298 OG SER A 102 80.542 38.165 -30.609 1.00 0.00 O ATOM 0 H SER A 102 79.538 38.716 -28.069 1.00 0.00 H new ATOM 0 HA SER A 102 79.484 36.165 -29.323 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.702 38.216 -28.901 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.889 36.777 -29.884 1.00 0.00 H new ATOM 0 HG SER A 102 81.226 38.620 -31.143 1.00 0.00 H new ATOM 1304 N ASP A 103 81.133 34.636 -28.044 1.00 0.00 N ATOM 1305 CA ASP A 103 81.512 33.554 -27.116 1.00 0.00 C ATOM 1306 C ASP A 103 82.684 33.902 -26.182 1.00 0.00 C ATOM 1307 O ASP A 103 82.669 33.531 -25.006 1.00 0.00 O ATOM 1308 CB ASP A 103 81.859 32.294 -27.921 1.00 0.00 C ATOM 1309 CG ASP A 103 80.625 31.699 -28.606 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.900 30.918 -27.946 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.370 32.016 -29.793 1.00 0.00 O ATOM 0 H ASP A 103 81.171 34.363 -29.026 1.00 0.00 H new ATOM 0 HA ASP A 103 80.649 33.390 -26.471 1.00 0.00 H new ATOM 0 HB2 ASP A 103 82.610 32.538 -28.673 1.00 0.00 H new ATOM 0 HB3 ASP A 103 82.301 31.550 -27.259 1.00 0.00 H new ATOM 1316 N LYS A 104 83.657 34.691 -26.663 1.00 0.00 N ATOM 1317 CA LYS A 104 84.806 35.159 -25.869 1.00 0.00 C ATOM 1318 C LYS A 104 84.378 35.969 -24.639 1.00 0.00 C ATOM 1319 O LYS A 104 84.948 35.782 -23.566 1.00 0.00 O ATOM 1320 CB LYS A 104 85.761 35.978 -26.762 1.00 0.00 C ATOM 1321 CG LYS A 104 86.303 35.246 -28.005 1.00 0.00 C ATOM 1322 CD LYS A 104 87.062 33.948 -27.675 1.00 0.00 C ATOM 1323 CE LYS A 104 87.646 33.265 -28.924 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.796 34.013 -29.513 1.00 0.00 N ATOM 0 H LYS A 104 83.669 35.027 -27.626 1.00 0.00 H new ATOM 0 HA LYS A 104 85.329 34.279 -25.494 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.240 36.877 -27.091 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.607 36.303 -26.156 1.00 0.00 H new ATOM 0 HG2 LYS A 104 85.471 35.012 -28.669 1.00 0.00 H new ATOM 0 HG3 LYS A 104 86.967 35.917 -28.550 1.00 0.00 H new ATOM 0 HD2 LYS A 104 87.869 34.172 -26.978 1.00 0.00 H new ATOM 0 HD3 LYS A 104 86.388 33.256 -27.170 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.970 32.258 -28.663 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.863 33.163 -29.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 89.147 33.506 -30.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 88.485 34.966 -29.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 89.558 34.089 -28.809 1.00 0.00 H new ATOM 1338 N ALA A 105 83.325 36.786 -24.751 1.00 0.00 N ATOM 1339 CA ALA A 105 82.728 37.500 -23.616 1.00 0.00 C ATOM 1340 C ALA A 105 82.187 36.534 -22.555 1.00 0.00 C ATOM 1341 O ALA A 105 82.343 36.768 -21.359 1.00 0.00 O ATOM 1342 CB ALA A 105 81.649 38.466 -24.128 1.00 0.00 C ATOM 0 H ALA A 105 82.859 36.972 -25.639 1.00 0.00 H new ATOM 0 HA ALA A 105 83.504 38.083 -23.120 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.206 38.996 -23.285 1.00 0.00 H new ATOM 0 HB2 ALA A 105 82.099 39.185 -24.813 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.875 37.903 -24.650 1.00 0.00 H new ATOM 1348 N ILE A 106 81.615 35.410 -22.988 1.00 0.00 N ATOM 1349 CA ILE A 106 80.966 34.442 -22.100 1.00 0.00 C ATOM 1350 C ILE A 106 82.033 33.645 -21.352 1.00 0.00 C ATOM 1351 O ILE A 106 81.956 33.527 -20.134 1.00 0.00 O ATOM 1352 CB ILE A 106 79.986 33.527 -22.872 1.00 0.00 C ATOM 1353 CG1 ILE A 106 79.243 34.218 -24.040 1.00 0.00 C ATOM 1354 CG2 ILE A 106 78.972 32.911 -21.894 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.607 35.584 -23.779 1.00 0.00 C ATOM 0 H ILE A 106 81.588 35.143 -23.972 1.00 0.00 H new ATOM 0 HA ILE A 106 80.362 34.980 -21.369 1.00 0.00 H new ATOM 0 HB ILE A 106 80.600 32.754 -23.333 1.00 0.00 H new ATOM 0 HG12 ILE A 106 79.948 34.330 -24.864 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.457 33.544 -24.381 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.283 32.267 -22.441 1.00 0.00 H new ATOM 0 HG22 ILE A 106 79.501 32.322 -21.144 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.412 33.706 -21.402 1.00 0.00 H new ATOM 0 HD11 ILE A 106 78.124 35.940 -24.689 1.00 0.00 H new ATOM 0 HD12 ILE A 106 77.865 35.494 -22.986 1.00 0.00 H new ATOM 0 HD13 ILE A 106 79.378 36.292 -23.476 1.00 0.00 H new ATOM 1367 N PHE A 107 83.087 33.199 -22.047 1.00 0.00 N ATOM 1368 CA PHE A 107 84.233 32.527 -21.422 1.00 0.00 C ATOM 1369 C PHE A 107 84.948 33.429 -20.406 1.00 0.00 C ATOM 1370 O PHE A 107 85.277 32.993 -19.304 1.00 0.00 O ATOM 1371 CB PHE A 107 85.254 32.124 -22.496 1.00 0.00 C ATOM 1372 CG PHE A 107 84.774 31.318 -23.688 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.640 30.482 -23.627 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.519 31.400 -24.878 1.00 0.00 C ATOM 1375 CE1 PHE A 107 83.259 29.731 -24.754 1.00 0.00 C ATOM 1376 CE2 PHE A 107 85.142 30.642 -26.002 1.00 0.00 C ATOM 1377 CZ PHE A 107 84.015 29.804 -25.938 1.00 0.00 C ATOM 0 H PHE A 107 83.169 33.294 -23.059 1.00 0.00 H new ATOM 0 HA PHE A 107 83.842 31.652 -20.904 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.712 33.037 -22.877 1.00 0.00 H new ATOM 0 HB3 PHE A 107 86.042 31.553 -22.006 1.00 0.00 H new ATOM 0 HD1 PHE A 107 83.064 30.418 -22.716 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.383 32.046 -24.929 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.385 29.098 -24.710 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.718 30.704 -26.913 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.730 29.216 -26.798 1.00 0.00 H new ATOM 1387 N ARG A 108 85.193 34.695 -20.776 1.00 0.00 N ATOM 1388 CA ARG A 108 85.989 35.642 -19.990 1.00 0.00 C ATOM 1389 C ARG A 108 85.238 36.158 -18.755 1.00 0.00 C ATOM 1390 O ARG A 108 85.851 36.317 -17.700 1.00 0.00 O ATOM 1391 CB ARG A 108 86.473 36.720 -20.974 1.00 0.00 C ATOM 1392 CG ARG A 108 87.636 37.580 -20.463 1.00 0.00 C ATOM 1393 CD ARG A 108 87.235 38.801 -19.623 1.00 0.00 C ATOM 1394 NE ARG A 108 86.509 39.809 -20.424 1.00 0.00 N ATOM 1395 CZ ARG A 108 85.964 40.928 -19.976 1.00 0.00 C ATOM 1396 NH1 ARG A 108 85.984 41.251 -18.714 1.00 0.00 N ATOM 1397 NH2 ARG A 108 85.383 41.753 -20.800 1.00 0.00 N ATOM 0 H ARG A 108 84.836 35.093 -21.645 1.00 0.00 H new ATOM 0 HA ARG A 108 86.860 35.167 -19.539 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.778 36.235 -21.901 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.635 37.374 -21.216 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.296 36.950 -19.866 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.214 37.925 -21.320 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.609 38.479 -18.791 1.00 0.00 H new ATOM 0 HD3 ARG A 108 88.128 39.254 -19.193 1.00 0.00 H new ATOM 0 HE ARG A 108 86.419 39.623 -21.423 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.430 40.633 -18.036 1.00 0.00 H new ATOM 0 HH12 ARG A 108 85.554 42.122 -18.404 1.00 0.00 H new ATOM 0 HH21 ARG A 108 85.347 41.538 -21.796 1.00 0.00 H new ATOM 0 HH22 ARG A 108 84.964 42.614 -20.449 1.00 0.00 H new ATOM 1411 N ARG A 109 83.912 36.345 -18.851 1.00 0.00 N ATOM 1412 CA ARG A 109 83.039 36.645 -17.694 1.00 0.00 C ATOM 1413 C ARG A 109 82.784 35.413 -16.813 1.00 0.00 C ATOM 1414 O ARG A 109 82.792 35.527 -15.588 1.00 0.00 O ATOM 1415 CB ARG A 109 81.701 37.229 -18.178 1.00 0.00 C ATOM 1416 CG ARG A 109 81.847 38.634 -18.789 1.00 0.00 C ATOM 1417 CD ARG A 109 80.542 39.099 -19.447 1.00 0.00 C ATOM 1418 NE ARG A 109 79.460 39.283 -18.451 1.00 0.00 N ATOM 1419 CZ ARG A 109 79.076 40.408 -17.870 1.00 0.00 C ATOM 1420 NH1 ARG A 109 79.660 41.548 -18.102 1.00 0.00 N ATOM 1421 NH2 ARG A 109 78.075 40.398 -17.039 1.00 0.00 N ATOM 0 H ARG A 109 83.408 36.293 -19.736 1.00 0.00 H new ATOM 0 HA ARG A 109 83.562 37.378 -17.081 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.265 36.559 -18.919 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.005 37.273 -17.340 1.00 0.00 H new ATOM 0 HG2 ARG A 109 82.136 39.342 -18.012 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.647 38.629 -19.529 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.715 40.037 -19.974 1.00 0.00 H new ATOM 0 HD3 ARG A 109 80.230 38.368 -20.192 1.00 0.00 H new ATOM 0 HE ARG A 109 78.950 38.442 -18.181 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.444 41.596 -18.752 1.00 0.00 H new ATOM 0 HH12 ARG A 109 79.333 42.393 -17.633 1.00 0.00 H new ATOM 0 HH21 ARG A 109 77.589 39.525 -16.837 1.00 0.00 H new ATOM 0 HH22 ARG A 109 77.777 41.264 -16.590 1.00 0.00 H new ATOM 1435 N TYR A 110 82.574 34.250 -17.436 1.00 0.00 N ATOM 1436 CA TYR A 110 82.095 33.015 -16.802 1.00 0.00 C ATOM 1437 C TYR A 110 82.987 31.810 -17.177 1.00 0.00 C ATOM 1438 O TYR A 110 82.611 30.989 -18.019 1.00 0.00 O ATOM 1439 CB TYR A 110 80.615 32.811 -17.180 1.00 0.00 C ATOM 1440 CG TYR A 110 79.741 34.028 -16.944 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.591 34.543 -15.643 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.125 34.675 -18.032 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.852 35.727 -15.438 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.359 35.839 -17.825 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.228 36.373 -16.527 1.00 0.00 C ATOM 1446 OH TYR A 110 77.513 37.517 -16.333 1.00 0.00 O ATOM 0 H TYR A 110 82.739 34.137 -18.436 1.00 0.00 H new ATOM 0 HA TYR A 110 82.162 33.099 -15.717 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.555 32.533 -18.232 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.217 31.974 -16.606 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.040 34.033 -14.804 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.240 34.277 -19.029 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.763 36.141 -14.444 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.873 36.322 -18.660 1.00 0.00 H new ATOM 0 HH TYR A 110 77.886 38.011 -15.573 1.00 0.00 H new ATOM 1456 N PRO A 111 84.181 31.669 -16.562 1.00 0.00 N ATOM 1457 CA PRO A 111 85.159 30.640 -16.937 1.00 0.00 C ATOM 1458 C PRO A 111 84.695 29.201 -16.648 1.00 0.00 C ATOM 1459 O PRO A 111 85.235 28.255 -17.223 1.00 0.00 O ATOM 1460 CB PRO A 111 86.437 31.002 -16.172 1.00 0.00 C ATOM 1461 CG PRO A 111 85.924 31.761 -14.951 1.00 0.00 C ATOM 1462 CD PRO A 111 84.722 32.518 -15.510 1.00 0.00 C ATOM 0 HA PRO A 111 85.312 30.638 -18.016 1.00 0.00 H new ATOM 0 HB2 PRO A 111 86.997 30.112 -15.884 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.104 31.618 -16.775 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.638 31.086 -14.145 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.678 32.438 -14.548 1.00 0.00 H new ATOM 0 HD2 PRO A 111 83.979 32.702 -14.734 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.019 33.490 -15.904 1.00 0.00 H new ATOM 1470 N HIS A 112 83.668 29.021 -15.807 1.00 0.00 N ATOM 1471 CA HIS A 112 83.022 27.727 -15.556 1.00 0.00 C ATOM 1472 C HIS A 112 82.123 27.254 -16.715 1.00 0.00 C ATOM 1473 O HIS A 112 81.848 26.058 -16.836 1.00 0.00 O ATOM 1474 CB HIS A 112 82.206 27.835 -14.262 1.00 0.00 C ATOM 1475 CG HIS A 112 80.893 28.574 -14.401 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.719 29.900 -14.824 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.673 28.029 -14.136 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.391 30.124 -14.765 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.754 29.027 -14.341 1.00 0.00 N ATOM 0 H HIS A 112 83.256 29.785 -15.272 1.00 0.00 H new ATOM 0 HA HIS A 112 83.807 26.977 -15.464 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.004 26.830 -13.891 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.812 28.337 -13.508 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.470 27.014 -13.826 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.910 31.056 -15.023 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.748 28.946 -14.194 1.00 0.00 H new ATOM 1487 N LEU A 113 81.660 28.187 -17.554 1.00 0.00 N ATOM 1488 CA LEU A 113 80.681 27.976 -18.615 1.00 0.00 C ATOM 1489 C LEU A 113 81.330 27.530 -19.949 1.00 0.00 C ATOM 1490 O LEU A 113 80.655 26.942 -20.798 1.00 0.00 O ATOM 1491 CB LEU A 113 79.890 29.303 -18.723 1.00 0.00 C ATOM 1492 CG LEU A 113 78.369 29.206 -18.906 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.022 28.502 -20.211 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.668 28.512 -17.747 1.00 0.00 C ATOM 0 H LEU A 113 81.976 29.156 -17.505 1.00 0.00 H new ATOM 0 HA LEU A 113 80.010 27.150 -18.379 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.084 29.885 -17.822 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.295 29.869 -19.562 1.00 0.00 H new ATOM 0 HG LEU A 113 78.006 30.233 -18.935 1.00 0.00 H new ATOM 0 HD11 LEU A 113 76.939 28.446 -20.317 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.440 29.061 -21.048 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.438 27.495 -20.203 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.596 28.477 -17.939 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.052 27.497 -17.645 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.854 29.065 -16.826 1.00 0.00 H new ATOM 1506 N ARG A 114 82.641 27.768 -20.126 1.00 0.00 N ATOM 1507 CA ARG A 114 83.428 27.308 -21.288 1.00 0.00 C ATOM 1508 C ARG A 114 83.522 25.773 -21.356 1.00 0.00 C ATOM 1509 O ARG A 114 83.916 25.136 -20.348 1.00 0.00 O ATOM 1510 CB ARG A 114 84.819 27.970 -21.278 1.00 0.00 C ATOM 1511 CG ARG A 114 85.609 27.639 -22.557 1.00 0.00 C ATOM 1512 CD ARG A 114 86.958 28.363 -22.597 1.00 0.00 C ATOM 1513 NE ARG A 114 87.653 28.117 -23.874 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.893 28.449 -24.179 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.676 29.064 -23.339 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.376 28.164 -25.353 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.215 25.203 -22.429 1.00 0.00 O ATOM 0 H ARG A 114 83.196 28.296 -19.453 1.00 0.00 H new ATOM 0 HA ARG A 114 82.907 27.618 -22.194 1.00 0.00 H new ATOM 0 HB2 ARG A 114 84.708 29.051 -21.186 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.378 27.632 -20.406 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.772 26.563 -22.615 1.00 0.00 H new ATOM 0 HG3 ARG A 114 85.020 27.919 -23.430 1.00 0.00 H new ATOM 0 HD2 ARG A 114 86.804 29.434 -22.463 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.581 28.025 -21.769 1.00 0.00 H new ATOM 0 HE ARG A 114 87.118 27.639 -24.599 1.00 0.00 H new ATOM 0 HH11 ARG A 114 89.336 29.306 -22.408 1.00 0.00 H new ATOM 0 HH12 ARG A 114 90.629 29.304 -23.612 1.00 0.00 H new ATOM 0 HH21 ARG A 114 88.796 27.683 -26.040 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.335 28.422 -25.586 1.00 0.00 H new TER 1531 ARG A 114