USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 SER OG : rot -139:sc= 0.459 USER MOD Set 1.2: A 115 SER OG : rot -150:sc= -0.0207 USER MOD Set 2.1: A 63 LYS NZ :NH3+ -133:sc= 0.828 (180deg=-0.206) USER MOD Set 2.2: A 154 SER OG : rot 51:sc= 0.111 USER MOD Set 3.1: A 59 HIS : no HD1:sc= -11.5! C(o=-20!,f=-17!) USER MOD Set 3.2: A 157 HIS : no HD1:sc= -8.33! C(o=-20!,f=-19!) USER MOD Set 4.1: A 57 CYS SG : rot 7:sc= -0.207 USER MOD Set 4.2: A 138 SER OG : rot -81:sc= -2.99! USER MOD Single : A 58 SER OG : rot -161:sc= 0.167 USER MOD Single : A 64 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-3.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.061) USER MOD Single : A 67 SER OG : rot 98:sc= 1.54 USER MOD Single : A 71 SER OG : rot 180:sc= -0.112 USER MOD Single : A 72 SER OG : rot -102:sc= -0.499 USER MOD Single : A 75 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.25) USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= -0.127 (180deg=-0.626) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.872 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.421 X(o=-0.42,f=0) USER MOD Single : A 92 TYR OH : rot -50:sc= -0.624 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= 0.0248 (180deg=0.00377) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -68:sc= 0.526 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.048) USER MOD Single : A 113 CYS SG : rot 180:sc= -0.16 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 130 MET CE :methyl 139:sc= -0.738 (180deg=-3.74!) USER MOD Single : A 131 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.02) USER MOD Single : A 132 LYS NZ :NH3+ 153:sc= -0.359 (180deg=-1.52!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 MET CE :methyl -158:sc= -12.3! (180deg=-14.7!) USER MOD Single : A 147 SER OG : rot 108:sc= -1.02 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 37.647 0.983 9.754 1.00 0.00 N ATOM 2 CA GLY A 50 36.985 2.304 9.560 1.00 0.00 C ATOM 3 C GLY A 50 35.527 2.173 9.168 1.00 0.00 C ATOM 4 O GLY A 50 34.911 1.129 9.382 1.00 0.00 O ATOM 0 HA2 GLY A 50 37.059 2.882 10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 50 37.516 2.863 8.789 1.00 0.00 H new ATOM 10 N GLU A 51 34.972 3.236 8.594 1.00 0.00 N ATOM 11 CA GLU A 51 33.577 3.234 8.173 1.00 0.00 C ATOM 12 C GLU A 51 33.396 2.467 6.863 1.00 0.00 C ATOM 13 O GLU A 51 32.533 1.595 6.763 1.00 0.00 O ATOM 14 CB GLU A 51 33.064 4.669 8.012 1.00 0.00 C ATOM 15 CG GLU A 51 31.591 4.828 8.349 1.00 0.00 C ATOM 16 CD GLU A 51 30.703 4.755 7.121 1.00 0.00 C ATOM 17 OE1 GLU A 51 31.121 4.133 6.122 1.00 0.00 O ATOM 18 OE2 GLU A 51 29.590 5.320 7.159 1.00 0.00 O ATOM 0 H GLU A 51 35.467 4.109 8.410 1.00 0.00 H new ATOM 0 HA GLU A 51 32.997 2.732 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 51 33.648 5.329 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 51 33.230 4.993 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 51 31.297 4.050 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.437 5.785 8.848 1.00 0.00 H new ATOM 25 N PRO A 52 34.209 2.780 5.836 1.00 0.00 N ATOM 26 CA PRO A 52 34.124 2.111 4.538 1.00 0.00 C ATOM 27 C PRO A 52 34.842 0.766 4.529 1.00 0.00 C ATOM 28 O PRO A 52 35.887 0.606 5.159 1.00 0.00 O ATOM 29 CB PRO A 52 34.821 3.095 3.604 1.00 0.00 C ATOM 30 CG PRO A 52 35.846 3.758 4.460 1.00 0.00 C ATOM 31 CD PRO A 52 35.271 3.807 5.854 1.00 0.00 C ATOM 0 HA PRO A 52 33.096 1.881 4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 52 35.281 2.583 2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 52 34.117 3.819 3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 52 36.783 3.201 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 52 36.066 4.761 4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 52 36.028 3.586 6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 52 34.869 4.793 6.086 1.00 0.00 H new ATOM 39 N ALA A 53 34.277 -0.197 3.811 1.00 0.00 N ATOM 40 CA ALA A 53 34.866 -1.528 3.717 1.00 0.00 C ATOM 41 C ALA A 53 35.991 -1.555 2.687 1.00 0.00 C ATOM 42 O ALA A 53 36.914 -2.364 2.780 1.00 0.00 O ATOM 43 CB ALA A 53 33.800 -2.554 3.364 1.00 0.00 C ATOM 0 H ALA A 53 33.411 -0.081 3.285 1.00 0.00 H new ATOM 0 HA ALA A 53 35.289 -1.782 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 53 34.254 -3.543 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 53 33.031 -2.560 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 53 33.350 -2.296 2.405 1.00 0.00 H new ATOM 49 N ARG A 54 35.906 -0.663 1.703 1.00 0.00 N ATOM 50 CA ARG A 54 36.915 -0.582 0.654 1.00 0.00 C ATOM 51 C ARG A 54 37.128 0.872 0.233 1.00 0.00 C ATOM 52 O ARG A 54 36.168 1.623 0.056 1.00 0.00 O ATOM 53 CB ARG A 54 36.499 -1.470 -0.537 1.00 0.00 C ATOM 54 CG ARG A 54 36.585 -0.811 -1.912 1.00 0.00 C ATOM 55 CD ARG A 54 35.214 -0.376 -2.405 1.00 0.00 C ATOM 56 NE ARG A 54 34.969 1.044 -2.169 1.00 0.00 N ATOM 57 CZ ARG A 54 33.898 1.695 -2.620 1.00 0.00 C ATOM 58 NH1 ARG A 54 32.976 1.057 -3.330 1.00 0.00 N ATOM 59 NH2 ARG A 54 33.749 2.986 -2.360 1.00 0.00 N ATOM 0 H ARG A 54 35.148 0.013 1.612 1.00 0.00 H new ATOM 0 HA ARG A 54 37.867 -0.953 1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 54 37.128 -2.360 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.474 -1.804 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.247 0.054 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.025 -1.508 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.130 -0.585 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 54 34.446 -0.964 -1.903 1.00 0.00 H new ATOM 0 HE ARG A 54 35.657 1.567 -1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 54 33.086 0.063 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 54 32.158 1.560 -3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.454 3.481 -1.815 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.929 3.484 -2.705 1.00 0.00 H new ATOM 73 N VAL A 55 38.390 1.261 0.077 1.00 0.00 N ATOM 74 CA VAL A 55 38.729 2.624 -0.319 1.00 0.00 C ATOM 75 C VAL A 55 39.898 2.644 -1.299 1.00 0.00 C ATOM 76 O VAL A 55 40.556 1.628 -1.517 1.00 0.00 O ATOM 77 CB VAL A 55 39.091 3.488 0.904 1.00 0.00 C ATOM 78 CG1 VAL A 55 37.866 3.718 1.776 1.00 0.00 C ATOM 79 CG2 VAL A 55 40.211 2.837 1.704 1.00 0.00 C ATOM 0 H VAL A 55 39.195 0.651 0.219 1.00 0.00 H new ATOM 0 HA VAL A 55 37.845 3.038 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 55 39.444 4.457 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 55 38.141 4.330 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 55 37.098 4.230 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 55 37.481 2.759 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 55 40.454 3.461 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 55 39.889 1.854 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 55 41.093 2.729 1.073 1.00 0.00 H new ATOM 89 N ARG A 56 40.154 3.812 -1.881 1.00 0.00 N ATOM 90 CA ARG A 56 41.248 3.973 -2.832 1.00 0.00 C ATOM 91 C ARG A 56 42.417 4.692 -2.173 1.00 0.00 C ATOM 92 O ARG A 56 42.259 5.797 -1.653 1.00 0.00 O ATOM 93 CB ARG A 56 40.775 4.755 -4.057 1.00 0.00 C ATOM 94 CG ARG A 56 41.420 4.302 -5.357 1.00 0.00 C ATOM 95 CD ARG A 56 40.375 3.921 -6.395 1.00 0.00 C ATOM 96 NE ARG A 56 40.975 3.624 -7.694 1.00 0.00 N ATOM 97 CZ ARG A 56 41.395 4.557 -8.546 1.00 0.00 C ATOM 98 NH1 ARG A 56 41.281 5.843 -8.242 1.00 0.00 N ATOM 99 NH2 ARG A 56 41.930 4.200 -9.706 1.00 0.00 N ATOM 0 H ARG A 56 39.617 4.662 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 56 41.578 2.985 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 56 39.693 4.656 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 56 40.987 5.813 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 56 42.050 5.100 -5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 56 42.070 3.449 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 56 39.818 3.052 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 56 39.659 4.736 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 56 41.078 2.646 -7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 56 40.870 6.122 -7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 56 41.605 6.553 -8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 56 42.019 3.212 -9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 56 42.252 4.913 -10.360 1.00 0.00 H new ATOM 113 N CYS A 57 43.585 4.058 -2.180 1.00 0.00 N ATOM 114 CA CYS A 57 44.764 4.648 -1.561 1.00 0.00 C ATOM 115 C CYS A 57 46.017 4.407 -2.389 1.00 0.00 C ATOM 116 O CYS A 57 46.132 3.404 -3.095 1.00 0.00 O ATOM 117 CB CYS A 57 44.963 4.071 -0.158 1.00 0.00 C ATOM 118 SG CYS A 57 43.651 4.498 1.011 1.00 0.00 S ATOM 0 H CYS A 57 43.739 3.143 -2.604 1.00 0.00 H new ATOM 0 HA CYS A 57 44.599 5.724 -1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 57 45.031 2.986 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 57 45.915 4.425 0.237 1.00 0.00 H new ATOM 0 HG CYS A 57 42.691 5.109 0.382 1.00 0.00 H new ATOM 124 N SER A 58 46.963 5.331 -2.277 1.00 0.00 N ATOM 125 CA SER A 58 48.228 5.228 -2.989 1.00 0.00 C ATOM 126 C SER A 58 49.366 5.115 -1.988 1.00 0.00 C ATOM 127 O SER A 58 49.305 5.694 -0.903 1.00 0.00 O ATOM 128 CB SER A 58 48.452 6.446 -3.886 1.00 0.00 C ATOM 129 OG SER A 58 47.278 7.239 -3.973 1.00 0.00 O ATOM 0 H SER A 58 46.876 6.165 -1.696 1.00 0.00 H new ATOM 0 HA SER A 58 48.199 4.339 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 58 49.272 7.046 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 58 48.748 6.118 -4.883 1.00 0.00 H new ATOM 0 HG SER A 58 47.332 7.819 -4.761 1.00 0.00 H new ATOM 135 N HIS A 59 50.402 4.374 -2.347 1.00 0.00 N ATOM 136 CA HIS A 59 51.539 4.205 -1.459 1.00 0.00 C ATOM 137 C HIS A 59 52.836 4.040 -2.236 1.00 0.00 C ATOM 138 O HIS A 59 52.841 3.593 -3.382 1.00 0.00 O ATOM 139 CB HIS A 59 51.324 3.002 -0.525 1.00 0.00 C ATOM 140 CG HIS A 59 51.799 1.692 -1.086 1.00 0.00 C ATOM 141 ND1 HIS A 59 53.131 1.404 -1.298 1.00 0.00 N ATOM 142 CD2 HIS A 59 51.114 0.590 -1.468 1.00 0.00 C ATOM 143 CE1 HIS A 59 53.244 0.181 -1.786 1.00 0.00 C ATOM 144 NE2 HIS A 59 52.034 -0.335 -1.897 1.00 0.00 N ATOM 0 H HIS A 59 50.479 3.884 -3.239 1.00 0.00 H new ATOM 0 HA HIS A 59 51.621 5.110 -0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 59 51.841 3.190 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 59 50.262 2.921 -0.294 1.00 0.00 H new ATOM 0 HD2 HIS A 59 50.042 0.461 -1.441 1.00 0.00 H new ATOM 0 HE1 HIS A 59 54.168 -0.312 -2.049 1.00 0.00 H new ATOM 0 HE2 HIS A 59 51.818 -1.269 -2.245 1.00 0.00 H new ATOM 153 N LEU A 60 53.935 4.387 -1.583 1.00 0.00 N ATOM 154 CA LEU A 60 55.253 4.267 -2.181 1.00 0.00 C ATOM 155 C LEU A 60 56.141 3.416 -1.281 1.00 0.00 C ATOM 156 O LEU A 60 56.009 3.453 -0.058 1.00 0.00 O ATOM 157 CB LEU A 60 55.862 5.654 -2.420 1.00 0.00 C ATOM 158 CG LEU A 60 57.077 6.017 -1.568 1.00 0.00 C ATOM 159 CD1 LEU A 60 57.660 7.342 -2.028 1.00 0.00 C ATOM 160 CD2 LEU A 60 56.701 6.074 -0.093 1.00 0.00 C ATOM 0 H LEU A 60 53.938 4.756 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 60 55.170 3.776 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 60 56.147 5.726 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 60 55.088 6.402 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 60 57.835 5.243 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.525 7.591 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 60 57.966 7.262 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 60 56.908 8.124 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 60 57.580 6.334 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 60 55.928 6.828 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 60 56.326 5.101 0.225 1.00 0.00 H new ATOM 172 N LEU A 61 57.026 2.639 -1.883 1.00 0.00 N ATOM 173 CA LEU A 61 57.909 1.772 -1.115 1.00 0.00 C ATOM 174 C LEU A 61 59.351 2.263 -1.165 1.00 0.00 C ATOM 175 O LEU A 61 59.842 2.691 -2.209 1.00 0.00 O ATOM 176 CB LEU A 61 57.824 0.335 -1.638 1.00 0.00 C ATOM 177 CG LEU A 61 58.992 -0.579 -1.248 1.00 0.00 C ATOM 178 CD1 LEU A 61 59.122 -0.674 0.266 1.00 0.00 C ATOM 179 CD2 LEU A 61 58.811 -1.959 -1.861 1.00 0.00 C ATOM 0 H LEU A 61 57.153 2.589 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 61 57.581 1.796 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 61 56.899 -0.112 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 61 57.757 0.366 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 61 59.913 -0.146 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 61 59.957 -1.327 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 61 59.300 0.319 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 61 58.202 -1.082 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.648 -2.597 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 61 57.881 -2.398 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.775 -1.873 -2.947 1.00 0.00 H new ATOM 191 N VAL A 62 60.021 2.171 -0.026 1.00 0.00 N ATOM 192 CA VAL A 62 61.411 2.578 0.084 1.00 0.00 C ATOM 193 C VAL A 62 62.167 1.593 0.975 1.00 0.00 C ATOM 194 O VAL A 62 62.260 1.782 2.190 1.00 0.00 O ATOM 195 CB VAL A 62 61.543 4.004 0.659 1.00 0.00 C ATOM 196 CG1 VAL A 62 63.007 4.368 0.882 1.00 0.00 C ATOM 197 CG2 VAL A 62 60.874 5.007 -0.268 1.00 0.00 C ATOM 0 H VAL A 62 59.619 1.815 0.841 1.00 0.00 H new ATOM 0 HA VAL A 62 61.840 2.579 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 62 61.040 4.034 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 62 63.073 5.378 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 62 63.454 3.665 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 62 63.542 4.322 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 62 60.974 6.010 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 62 61.351 4.972 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 62 59.817 4.760 -0.370 1.00 0.00 H new ATOM 207 N LYS A 63 62.686 0.533 0.364 1.00 0.00 N ATOM 208 CA LYS A 63 63.416 -0.495 1.098 1.00 0.00 C ATOM 209 C LYS A 63 64.699 0.059 1.700 1.00 0.00 C ATOM 210 O LYS A 63 65.186 1.116 1.296 1.00 0.00 O ATOM 211 CB LYS A 63 63.742 -1.677 0.183 1.00 0.00 C ATOM 212 CG LYS A 63 62.543 -2.193 -0.599 1.00 0.00 C ATOM 213 CD LYS A 63 61.675 -3.106 0.250 1.00 0.00 C ATOM 214 CE LYS A 63 62.113 -4.558 0.138 1.00 0.00 C ATOM 215 NZ LYS A 63 61.140 -5.376 -0.637 1.00 0.00 N ATOM 0 H LYS A 63 62.615 0.363 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 63 62.775 -0.836 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.521 -1.378 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 63 64.149 -2.489 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 63 61.949 -1.351 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 63 62.888 -2.733 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 63 61.724 -2.790 1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 63 60.635 -3.014 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 63 63.090 -4.606 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 63 62.227 -4.980 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 60.944 -6.260 -0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 60.256 -4.842 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 61.540 -5.598 -1.571 1.00 0.00 H new ATOM 229 N HIS A 64 65.234 -0.663 2.674 1.00 0.00 N ATOM 230 CA HIS A 64 66.454 -0.251 3.347 1.00 0.00 C ATOM 231 C HIS A 64 67.389 -1.439 3.569 1.00 0.00 C ATOM 232 O HIS A 64 67.104 -2.556 3.136 1.00 0.00 O ATOM 233 CB HIS A 64 66.120 0.429 4.675 1.00 0.00 C ATOM 234 CG HIS A 64 65.071 -0.276 5.477 1.00 0.00 C ATOM 235 ND1 HIS A 64 65.349 -0.936 6.652 1.00 0.00 N ATOM 236 CD2 HIS A 64 63.738 -0.415 5.277 1.00 0.00 C ATOM 237 CE1 HIS A 64 64.238 -1.454 7.142 1.00 0.00 C ATOM 238 NE2 HIS A 64 63.242 -1.151 6.328 1.00 0.00 N ATOM 0 H HIS A 64 64.840 -1.540 3.016 1.00 0.00 H new ATOM 0 HA HIS A 64 66.972 0.464 2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 64 67.029 0.503 5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 64 65.786 1.447 4.475 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.171 -0.021 4.447 1.00 0.00 H new ATOM 0 HE1 HIS A 64 64.157 -2.028 8.053 1.00 0.00 H new ATOM 0 HE2 HIS A 64 62.266 -1.419 6.458 1.00 0.00 H new ATOM 247 N SER A 65 68.514 -1.185 4.233 1.00 0.00 N ATOM 248 CA SER A 65 69.504 -2.227 4.494 1.00 0.00 C ATOM 249 C SER A 65 69.039 -3.201 5.576 1.00 0.00 C ATOM 250 O SER A 65 69.503 -4.340 5.631 1.00 0.00 O ATOM 251 CB SER A 65 70.835 -1.597 4.905 1.00 0.00 C ATOM 252 OG SER A 65 71.772 -2.588 5.291 1.00 0.00 O ATOM 0 H SER A 65 68.763 -0.267 4.600 1.00 0.00 H new ATOM 0 HA SER A 65 69.633 -2.792 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 65 71.237 -1.016 4.075 1.00 0.00 H new ATOM 0 HB3 SER A 65 70.673 -0.904 5.731 1.00 0.00 H new ATOM 0 HG SER A 65 72.615 -2.159 5.548 1.00 0.00 H new ATOM 258 N GLN A 66 68.133 -2.756 6.438 1.00 0.00 N ATOM 259 CA GLN A 66 67.635 -3.610 7.514 1.00 0.00 C ATOM 260 C GLN A 66 66.351 -4.334 7.110 1.00 0.00 C ATOM 261 O GLN A 66 65.730 -5.008 7.932 1.00 0.00 O ATOM 262 CB GLN A 66 67.392 -2.789 8.781 1.00 0.00 C ATOM 263 CG GLN A 66 68.673 -2.335 9.467 1.00 0.00 C ATOM 264 CD GLN A 66 68.795 -2.866 10.880 1.00 0.00 C ATOM 265 OE1 GLN A 66 69.831 -3.409 11.266 1.00 0.00 O ATOM 266 NE2 GLN A 66 67.732 -2.715 11.661 1.00 0.00 N ATOM 0 H GLN A 66 67.730 -1.819 6.416 1.00 0.00 H new ATOM 0 HA GLN A 66 68.399 -4.362 7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 66 66.795 -1.913 8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 66 66.805 -3.383 9.482 1.00 0.00 H new ATOM 0 HG2 GLN A 66 69.531 -2.667 8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 66 68.703 -1.246 9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 66 66.894 -2.259 11.300 1.00 0.00 H new ATOM 0 HE22 GLN A 66 67.753 -3.055 12.622 1.00 0.00 H new ATOM 275 N SER A 67 65.958 -4.204 5.845 1.00 0.00 N ATOM 276 CA SER A 67 64.751 -4.861 5.353 1.00 0.00 C ATOM 277 C SER A 67 64.937 -6.379 5.339 1.00 0.00 C ATOM 278 O SER A 67 66.057 -6.872 5.208 1.00 0.00 O ATOM 279 CB SER A 67 64.404 -4.353 3.952 1.00 0.00 C ATOM 280 OG SER A 67 63.802 -5.369 3.169 1.00 0.00 O ATOM 0 H SER A 67 66.455 -3.653 5.146 1.00 0.00 H new ATOM 0 HA SER A 67 63.927 -4.621 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.728 -3.502 4.029 1.00 0.00 H new ATOM 0 HB3 SER A 67 65.308 -3.998 3.458 1.00 0.00 H new ATOM 0 HG SER A 67 62.828 -5.260 3.184 1.00 0.00 H new ATOM 286 N ARG A 68 63.836 -7.115 5.469 1.00 0.00 N ATOM 287 CA ARG A 68 63.895 -8.574 5.465 1.00 0.00 C ATOM 288 C ARG A 68 64.349 -9.094 4.102 1.00 0.00 C ATOM 289 O ARG A 68 64.926 -10.176 3.998 1.00 0.00 O ATOM 290 CB ARG A 68 62.533 -9.170 5.843 1.00 0.00 C ATOM 291 CG ARG A 68 61.507 -9.145 4.717 1.00 0.00 C ATOM 292 CD ARG A 68 61.110 -10.550 4.296 1.00 0.00 C ATOM 293 NE ARG A 68 59.818 -10.574 3.612 1.00 0.00 N ATOM 294 CZ ARG A 68 59.005 -11.629 3.595 1.00 0.00 C ATOM 295 NH1 ARG A 68 59.350 -12.755 4.208 1.00 0.00 N ATOM 296 NH2 ARG A 68 57.845 -11.559 2.958 1.00 0.00 N ATOM 0 H ARG A 68 62.898 -6.728 5.578 1.00 0.00 H new ATOM 0 HA ARG A 68 64.626 -8.887 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 68 62.677 -10.201 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.133 -8.622 6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 68 60.622 -8.597 5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 68 61.917 -8.609 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 68 61.876 -10.961 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 68 61.066 -11.193 5.175 1.00 0.00 H new ATOM 0 HE ARG A 68 59.521 -9.732 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 68 60.243 -12.817 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 68 58.722 -13.558 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 68 57.576 -10.698 2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 68 57.221 -12.366 2.944 1.00 0.00 H new ATOM 310 N ARG A 69 64.089 -8.308 3.062 1.00 0.00 N ATOM 311 CA ARG A 69 64.472 -8.674 1.704 1.00 0.00 C ATOM 312 C ARG A 69 64.590 -7.425 0.833 1.00 0.00 C ATOM 313 O ARG A 69 63.648 -7.054 0.133 1.00 0.00 O ATOM 314 CB ARG A 69 63.452 -9.643 1.103 1.00 0.00 C ATOM 315 CG ARG A 69 64.085 -10.786 0.325 1.00 0.00 C ATOM 316 CD ARG A 69 64.961 -10.275 -0.807 1.00 0.00 C ATOM 317 NE ARG A 69 64.623 -10.897 -2.086 1.00 0.00 N ATOM 318 CZ ARG A 69 63.580 -10.538 -2.831 1.00 0.00 C ATOM 319 NH1 ARG A 69 62.771 -9.567 -2.429 1.00 0.00 N ATOM 320 NH2 ARG A 69 63.346 -11.154 -3.982 1.00 0.00 N ATOM 0 H ARG A 69 63.612 -7.409 3.135 1.00 0.00 H new ATOM 0 HA ARG A 69 65.442 -9.170 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 69 62.839 -10.055 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 69 62.784 -9.091 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 69 64.682 -11.399 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.303 -11.428 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 69 64.852 -9.194 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 69 66.007 -10.473 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 69 65.221 -11.650 -2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 69 62.946 -9.091 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 69 61.973 -9.297 -3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 69 63.965 -11.902 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 69 62.547 -10.880 -4.554 1.00 0.00 H new ATOM 334 N PRO A 70 65.753 -6.753 0.877 1.00 0.00 N ATOM 335 CA PRO A 70 65.992 -5.532 0.100 1.00 0.00 C ATOM 336 C PRO A 70 66.162 -5.808 -1.390 1.00 0.00 C ATOM 337 O PRO A 70 67.270 -6.053 -1.867 1.00 0.00 O ATOM 338 CB PRO A 70 67.285 -4.981 0.704 1.00 0.00 C ATOM 339 CG PRO A 70 67.995 -6.178 1.231 1.00 0.00 C ATOM 340 CD PRO A 70 66.922 -7.127 1.695 1.00 0.00 C ATOM 0 HA PRO A 70 65.151 -4.840 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 70 67.883 -4.464 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 70 67.077 -4.263 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 70 68.614 -6.636 0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 70 68.659 -5.908 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 70 67.208 -8.166 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 70 66.719 -7.014 2.760 1.00 0.00 H new ATOM 348 N SER A 71 65.052 -5.762 -2.118 1.00 0.00 N ATOM 349 CA SER A 71 65.057 -6.000 -3.557 1.00 0.00 C ATOM 350 C SER A 71 63.813 -5.392 -4.197 1.00 0.00 C ATOM 351 O SER A 71 62.830 -5.114 -3.512 1.00 0.00 O ATOM 352 CB SER A 71 65.117 -7.499 -3.850 1.00 0.00 C ATOM 353 OG SER A 71 65.151 -7.746 -5.246 1.00 0.00 O ATOM 0 H SER A 71 64.130 -5.560 -1.731 1.00 0.00 H new ATOM 0 HA SER A 71 65.941 -5.525 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 71 66.001 -7.929 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 71 64.250 -7.993 -3.411 1.00 0.00 H new ATOM 0 HG SER A 71 65.191 -8.712 -5.406 1.00 0.00 H new ATOM 359 N SER A 72 63.860 -5.181 -5.508 1.00 0.00 N ATOM 360 CA SER A 72 62.725 -4.598 -6.217 1.00 0.00 C ATOM 361 C SER A 72 62.859 -4.776 -7.726 1.00 0.00 C ATOM 362 O SER A 72 63.846 -5.318 -8.217 1.00 0.00 O ATOM 363 CB SER A 72 62.601 -3.112 -5.878 1.00 0.00 C ATOM 364 OG SER A 72 62.076 -2.929 -4.575 1.00 0.00 O ATOM 0 H SER A 72 64.663 -5.402 -6.097 1.00 0.00 H new ATOM 0 HA SER A 72 61.825 -5.121 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 72 63.579 -2.636 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 72 61.954 -2.622 -6.606 1.00 0.00 H new ATOM 0 HG SER A 72 61.126 -2.696 -4.635 1.00 0.00 H new ATOM 370 N TRP A 73 61.849 -4.313 -8.454 1.00 0.00 N ATOM 371 CA TRP A 73 61.842 -4.416 -9.910 1.00 0.00 C ATOM 372 C TRP A 73 62.921 -3.533 -10.535 1.00 0.00 C ATOM 373 O TRP A 73 63.229 -3.665 -11.720 1.00 0.00 O ATOM 374 CB TRP A 73 60.468 -4.032 -10.466 1.00 0.00 C ATOM 375 CG TRP A 73 59.934 -2.741 -9.920 1.00 0.00 C ATOM 376 CD1 TRP A 73 59.267 -2.559 -8.741 1.00 0.00 C ATOM 377 CD2 TRP A 73 60.011 -1.448 -10.536 1.00 0.00 C ATOM 378 NE1 TRP A 73 58.936 -1.238 -8.585 1.00 0.00 N ATOM 379 CE2 TRP A 73 59.375 -0.538 -9.672 1.00 0.00 C ATOM 380 CE3 TRP A 73 60.555 -0.972 -11.732 1.00 0.00 C ATOM 381 CZ2 TRP A 73 59.269 0.815 -9.961 1.00 0.00 C ATOM 382 CZ3 TRP A 73 60.449 0.377 -12.021 1.00 0.00 C ATOM 383 CH2 TRP A 73 59.809 1.257 -11.138 1.00 0.00 C ATOM 0 H TRP A 73 61.023 -3.862 -8.060 1.00 0.00 H new ATOM 0 HA TRP A 73 62.057 -5.453 -10.170 1.00 0.00 H new ATOM 0 HB2 TRP A 73 60.533 -3.957 -11.551 1.00 0.00 H new ATOM 0 HB3 TRP A 73 59.760 -4.830 -10.243 1.00 0.00 H new ATOM 0 HD1 TRP A 73 59.034 -3.342 -8.035 1.00 0.00 H new ATOM 0 HE1 TRP A 73 58.441 -0.842 -7.786 1.00 0.00 H new ATOM 0 HE3 TRP A 73 61.049 -1.644 -12.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 58.778 1.495 -9.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 60.866 0.758 -12.942 1.00 0.00 H new ATOM 0 HH2 TRP A 73 59.741 2.305 -11.391 1.00 0.00 H new ATOM 394 N ARG A 74 63.491 -2.631 -9.739 1.00 0.00 N ATOM 395 CA ARG A 74 64.530 -1.731 -10.228 1.00 0.00 C ATOM 396 C ARG A 74 65.888 -2.043 -9.600 1.00 0.00 C ATOM 397 O ARG A 74 66.906 -1.483 -10.004 1.00 0.00 O ATOM 398 CB ARG A 74 64.148 -0.278 -9.941 1.00 0.00 C ATOM 399 CG ARG A 74 64.085 0.052 -8.458 1.00 0.00 C ATOM 400 CD ARG A 74 64.634 1.443 -8.170 1.00 0.00 C ATOM 401 NE ARG A 74 63.650 2.291 -7.500 1.00 0.00 N ATOM 402 CZ ARG A 74 62.628 2.874 -8.122 1.00 0.00 C ATOM 403 NH1 ARG A 74 62.451 2.705 -9.426 1.00 0.00 N ATOM 404 NH2 ARG A 74 61.780 3.630 -7.437 1.00 0.00 N ATOM 0 H ARG A 74 63.251 -2.505 -8.756 1.00 0.00 H new ATOM 0 HA ARG A 74 64.615 -1.880 -11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.871 0.381 -10.421 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.178 -0.070 -10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.053 -0.011 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.654 -0.688 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.525 1.360 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.941 1.912 -9.105 1.00 0.00 H new ATOM 0 HE ARG A 74 63.753 2.445 -6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.100 2.125 -9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.666 3.155 -9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.912 3.764 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.996 4.077 -7.913 1.00 0.00 H new ATOM 418 N GLN A 75 65.904 -2.936 -8.612 1.00 0.00 N ATOM 419 CA GLN A 75 67.147 -3.304 -7.941 1.00 0.00 C ATOM 420 C GLN A 75 67.114 -4.756 -7.475 1.00 0.00 C ATOM 421 O GLN A 75 66.171 -5.491 -7.761 1.00 0.00 O ATOM 422 CB GLN A 75 67.401 -2.377 -6.750 1.00 0.00 C ATOM 423 CG GLN A 75 68.814 -1.822 -6.701 1.00 0.00 C ATOM 424 CD GLN A 75 69.180 -1.045 -7.950 1.00 0.00 C ATOM 425 OE1 GLN A 75 68.636 0.030 -8.208 1.00 0.00 O ATOM 426 NE2 GLN A 75 70.105 -1.584 -8.735 1.00 0.00 N ATOM 0 H GLN A 75 65.075 -3.415 -8.261 1.00 0.00 H new ATOM 0 HA GLN A 75 67.960 -3.196 -8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 75 66.695 -1.547 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 75 67.202 -2.922 -5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 75 68.915 -1.173 -5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 75 69.518 -2.643 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 75 70.530 -2.476 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 75 70.391 -1.106 -9.589 1.00 0.00 H new ATOM 435 N GLU A 76 68.152 -5.164 -6.754 1.00 0.00 N ATOM 436 CA GLU A 76 68.241 -6.528 -6.247 1.00 0.00 C ATOM 437 C GLU A 76 68.657 -6.537 -4.780 1.00 0.00 C ATOM 438 O GLU A 76 68.073 -7.251 -3.963 1.00 0.00 O ATOM 439 CB GLU A 76 69.237 -7.339 -7.076 1.00 0.00 C ATOM 440 CG GLU A 76 68.858 -7.449 -8.546 1.00 0.00 C ATOM 441 CD GLU A 76 69.734 -6.594 -9.440 1.00 0.00 C ATOM 442 OE1 GLU A 76 70.931 -6.916 -9.583 1.00 0.00 O ATOM 443 OE2 GLU A 76 69.220 -5.602 -9.998 1.00 0.00 O ATOM 0 H GLU A 76 68.944 -4.570 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 76 67.254 -6.984 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.222 -6.880 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 76 69.318 -8.341 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 76 68.932 -8.490 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.817 -7.152 -8.672 1.00 0.00 H new ATOM 450 N LYS A 77 69.668 -5.741 -4.452 1.00 0.00 N ATOM 451 CA LYS A 77 70.162 -5.656 -3.083 1.00 0.00 C ATOM 452 C LYS A 77 70.196 -4.206 -2.609 1.00 0.00 C ATOM 453 O LYS A 77 71.226 -3.537 -2.700 1.00 0.00 O ATOM 454 CB LYS A 77 71.558 -6.278 -2.983 1.00 0.00 C ATOM 455 CG LYS A 77 71.695 -7.285 -1.854 1.00 0.00 C ATOM 456 CD LYS A 77 73.152 -7.633 -1.592 1.00 0.00 C ATOM 457 CE LYS A 77 73.961 -6.404 -1.208 1.00 0.00 C ATOM 458 NZ LYS A 77 73.240 -5.551 -0.223 1.00 0.00 N ATOM 0 H LYS A 77 70.162 -5.145 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 77 69.481 -6.212 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 77 71.797 -6.768 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 77 72.291 -5.484 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.248 -6.879 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 77 71.143 -8.191 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 77 73.212 -8.373 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 77 73.583 -8.090 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 77 74.917 -6.715 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 77 74.181 -5.820 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 73.915 -4.909 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 72.513 -4.993 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 72.788 -6.154 0.494 1.00 0.00 H new ATOM 472 N ILE A 78 69.065 -3.728 -2.103 1.00 0.00 N ATOM 473 CA ILE A 78 68.966 -2.357 -1.614 1.00 0.00 C ATOM 474 C ILE A 78 69.613 -2.218 -0.240 1.00 0.00 C ATOM 475 O ILE A 78 69.516 -3.117 0.595 1.00 0.00 O ATOM 476 CB ILE A 78 67.498 -1.892 -1.529 1.00 0.00 C ATOM 477 CG1 ILE A 78 66.744 -2.281 -2.803 1.00 0.00 C ATOM 478 CG2 ILE A 78 67.433 -0.389 -1.299 1.00 0.00 C ATOM 479 CD1 ILE A 78 65.298 -1.836 -2.815 1.00 0.00 C ATOM 0 H ILE A 78 68.204 -4.269 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 78 69.495 -1.727 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 78 67.020 -2.388 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 78 67.255 -1.848 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 78 66.782 -3.364 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 78 66.391 -0.075 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 78 67.939 -0.141 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 78 67.922 0.127 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.829 -2.147 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 78 64.771 -2.289 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.251 -0.750 -2.730 1.00 0.00 H new ATOM 491 N THR A 79 70.277 -1.088 -0.014 1.00 0.00 N ATOM 492 CA THR A 79 70.944 -0.840 1.259 1.00 0.00 C ATOM 493 C THR A 79 70.704 0.589 1.737 1.00 0.00 C ATOM 494 O THR A 79 71.594 1.219 2.310 1.00 0.00 O ATOM 495 CB THR A 79 72.446 -1.098 1.128 1.00 0.00 C ATOM 496 OG1 THR A 79 73.017 -0.252 0.148 1.00 0.00 O ATOM 497 CG2 THR A 79 72.780 -2.526 0.752 1.00 0.00 C ATOM 0 H THR A 79 70.367 -0.333 -0.693 1.00 0.00 H new ATOM 0 HA THR A 79 70.524 -1.524 1.997 1.00 0.00 H new ATOM 0 HB THR A 79 72.859 -0.894 2.116 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.978 -0.431 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 79 73.861 -2.639 0.676 1.00 0.00 H new ATOM 0 HG22 THR A 79 72.397 -3.202 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.322 -2.766 -0.207 1.00 0.00 H new ATOM 505 N ARG A 80 69.497 1.097 1.507 1.00 0.00 N ATOM 506 CA ARG A 80 69.152 2.451 1.924 1.00 0.00 C ATOM 507 C ARG A 80 69.215 2.579 3.442 1.00 0.00 C ATOM 508 O ARG A 80 68.413 1.980 4.159 1.00 0.00 O ATOM 509 CB ARG A 80 67.753 2.826 1.426 1.00 0.00 C ATOM 510 CG ARG A 80 67.553 2.590 -0.063 1.00 0.00 C ATOM 511 CD ARG A 80 67.522 3.898 -0.836 1.00 0.00 C ATOM 512 NE ARG A 80 67.372 3.682 -2.272 1.00 0.00 N ATOM 513 CZ ARG A 80 68.351 3.250 -3.064 1.00 0.00 C ATOM 514 NH1 ARG A 80 69.550 2.983 -2.562 1.00 0.00 N ATOM 515 NH2 ARG A 80 68.131 3.084 -4.360 1.00 0.00 N ATOM 0 H ARG A 80 68.745 0.594 1.036 1.00 0.00 H new ATOM 0 HA ARG A 80 69.878 3.136 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 80 67.013 2.249 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 80 67.568 3.877 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 80 68.357 1.960 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 80 66.621 2.049 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 80 66.698 4.513 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 80 68.441 4.453 -0.647 1.00 0.00 H new ATOM 0 HE ARG A 80 66.463 3.873 -2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 80 69.725 3.108 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 80 70.297 2.652 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 80 67.211 3.287 -4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 80 68.881 2.753 -4.966 1.00 0.00 H new ATOM 529 N THR A 81 70.176 3.359 3.928 1.00 0.00 N ATOM 530 CA THR A 81 70.347 3.562 5.362 1.00 0.00 C ATOM 531 C THR A 81 69.069 4.106 5.994 1.00 0.00 C ATOM 532 O THR A 81 68.146 4.522 5.293 1.00 0.00 O ATOM 533 CB THR A 81 71.515 4.515 5.631 1.00 0.00 C ATOM 534 OG1 THR A 81 71.932 5.151 4.436 1.00 0.00 O ATOM 535 CG2 THR A 81 72.721 3.826 6.231 1.00 0.00 C ATOM 0 H THR A 81 70.849 3.861 3.349 1.00 0.00 H new ATOM 0 HA THR A 81 70.568 2.595 5.815 1.00 0.00 H new ATOM 0 HB THR A 81 71.135 5.241 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 81 72.678 5.756 4.631 1.00 0.00 H new ATOM 0 HG21 THR A 81 73.512 4.557 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 81 72.444 3.369 7.181 1.00 0.00 H new ATOM 0 HG23 THR A 81 73.077 3.055 5.548 1.00 0.00 H new ATOM 543 N LYS A 82 69.022 4.097 7.322 1.00 0.00 N ATOM 544 CA LYS A 82 67.856 4.588 8.052 1.00 0.00 C ATOM 545 C LYS A 82 67.542 6.033 7.677 1.00 0.00 C ATOM 546 O LYS A 82 66.394 6.373 7.384 1.00 0.00 O ATOM 547 CB LYS A 82 68.081 4.476 9.564 1.00 0.00 C ATOM 548 CG LYS A 82 69.499 4.810 10.002 1.00 0.00 C ATOM 549 CD LYS A 82 70.255 3.567 10.448 1.00 0.00 C ATOM 550 CE LYS A 82 69.572 2.889 11.625 1.00 0.00 C ATOM 551 NZ LYS A 82 69.434 1.420 11.415 1.00 0.00 N ATOM 0 H LYS A 82 69.777 3.755 7.916 1.00 0.00 H new ATOM 0 HA LYS A 82 67.004 3.968 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 82 67.387 5.143 10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 82 67.842 3.461 9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 82 70.032 5.285 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 82 69.468 5.530 10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 82 70.328 2.867 9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 82 71.273 3.840 10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 82 70.145 3.074 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 82 68.586 3.329 11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 68.964 0.994 12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 68.866 1.243 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 70.376 0.996 11.297 1.00 0.00 H new ATOM 565 N GLU A 83 68.564 6.882 7.689 1.00 0.00 N ATOM 566 CA GLU A 83 68.394 8.290 7.351 1.00 0.00 C ATOM 567 C GLU A 83 68.026 8.460 5.881 1.00 0.00 C ATOM 568 O GLU A 83 67.066 9.152 5.549 1.00 0.00 O ATOM 569 CB GLU A 83 69.674 9.067 7.663 1.00 0.00 C ATOM 570 CG GLU A 83 69.681 9.697 9.047 1.00 0.00 C ATOM 571 CD GLU A 83 69.247 11.149 9.029 1.00 0.00 C ATOM 572 OE1 GLU A 83 68.228 11.456 8.376 1.00 0.00 O ATOM 573 OE2 GLU A 83 69.926 11.980 9.669 1.00 0.00 O ATOM 0 H GLU A 83 69.520 6.619 7.929 1.00 0.00 H new ATOM 0 HA GLU A 83 67.579 8.687 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 83 70.528 8.395 7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 83 69.805 9.850 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 83 69.019 9.132 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 83 70.683 9.627 9.469 1.00 0.00 H new ATOM 580 N GLU A 84 68.798 7.827 5.006 1.00 0.00 N ATOM 581 CA GLU A 84 68.562 7.913 3.567 1.00 0.00 C ATOM 582 C GLU A 84 67.141 7.481 3.209 1.00 0.00 C ATOM 583 O GLU A 84 66.410 8.212 2.546 1.00 0.00 O ATOM 584 CB GLU A 84 69.573 7.048 2.814 1.00 0.00 C ATOM 585 CG GLU A 84 70.995 7.583 2.871 1.00 0.00 C ATOM 586 CD GLU A 84 71.328 8.487 1.700 1.00 0.00 C ATOM 587 OE1 GLU A 84 70.410 8.803 0.912 1.00 0.00 O ATOM 588 OE2 GLU A 84 72.507 8.880 1.569 1.00 0.00 O ATOM 0 H GLU A 84 69.595 7.247 5.267 1.00 0.00 H new ATOM 0 HA GLU A 84 68.685 8.955 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 84 69.556 6.040 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 84 69.265 6.969 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 84 71.134 8.134 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.693 6.746 2.889 1.00 0.00 H new ATOM 595 N ALA A 85 66.762 6.285 3.650 1.00 0.00 N ATOM 596 CA ALA A 85 65.431 5.756 3.368 1.00 0.00 C ATOM 597 C ALA A 85 64.339 6.667 3.919 1.00 0.00 C ATOM 598 O ALA A 85 63.487 7.149 3.174 1.00 0.00 O ATOM 599 CB ALA A 85 65.292 4.354 3.942 1.00 0.00 C ATOM 0 H ALA A 85 67.355 5.666 4.202 1.00 0.00 H new ATOM 0 HA ALA A 85 65.310 5.712 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 85 64.295 3.969 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 85 66.039 3.701 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 85 65.442 4.386 5.021 1.00 0.00 H new ATOM 605 N LEU A 86 64.364 6.891 5.227 1.00 0.00 N ATOM 606 CA LEU A 86 63.370 7.738 5.878 1.00 0.00 C ATOM 607 C LEU A 86 63.392 9.155 5.313 1.00 0.00 C ATOM 608 O LEU A 86 62.345 9.787 5.168 1.00 0.00 O ATOM 609 CB LEU A 86 63.615 7.775 7.388 1.00 0.00 C ATOM 610 CG LEU A 86 62.614 8.613 8.187 1.00 0.00 C ATOM 611 CD1 LEU A 86 61.223 8.006 8.100 1.00 0.00 C ATOM 612 CD2 LEU A 86 63.058 8.732 9.636 1.00 0.00 C ATOM 0 H LEU A 86 65.062 6.498 5.859 1.00 0.00 H new ATOM 0 HA LEU A 86 62.387 7.310 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 86 63.596 6.754 7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 86 64.617 8.164 7.569 1.00 0.00 H new ATOM 0 HG LEU A 86 62.578 9.614 7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 86 60.524 8.614 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 86 60.905 7.973 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 86 61.241 6.995 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 86 62.335 9.331 10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 86 63.122 7.738 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 86 64.036 9.212 9.679 1.00 0.00 H new ATOM 624 N GLU A 87 64.583 9.651 4.990 1.00 0.00 N ATOM 625 CA GLU A 87 64.721 10.996 4.438 1.00 0.00 C ATOM 626 C GLU A 87 63.888 11.139 3.170 1.00 0.00 C ATOM 627 O GLU A 87 63.384 12.220 2.862 1.00 0.00 O ATOM 628 CB GLU A 87 66.189 11.306 4.138 1.00 0.00 C ATOM 629 CG GLU A 87 66.407 12.662 3.485 1.00 0.00 C ATOM 630 CD GLU A 87 67.874 13.039 3.400 1.00 0.00 C ATOM 631 OE1 GLU A 87 68.521 13.150 4.463 1.00 0.00 O ATOM 632 OE2 GLU A 87 68.375 13.221 2.271 1.00 0.00 O ATOM 0 H GLU A 87 65.462 9.146 5.100 1.00 0.00 H new ATOM 0 HA GLU A 87 64.358 11.708 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 87 66.757 11.265 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 87 66.589 10.530 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 87 65.980 12.651 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 87 65.872 13.424 4.051 1.00 0.00 H new ATOM 639 N LEU A 88 63.739 10.037 2.443 1.00 0.00 N ATOM 640 CA LEU A 88 62.959 10.031 1.215 1.00 0.00 C ATOM 641 C LEU A 88 61.469 10.070 1.535 1.00 0.00 C ATOM 642 O LEU A 88 60.750 10.965 1.092 1.00 0.00 O ATOM 643 CB LEU A 88 63.290 8.789 0.384 1.00 0.00 C ATOM 644 CG LEU A 88 64.389 8.983 -0.664 1.00 0.00 C ATOM 645 CD1 LEU A 88 65.646 9.555 -0.026 1.00 0.00 C ATOM 646 CD2 LEU A 88 64.698 7.665 -1.358 1.00 0.00 C ATOM 0 H LEU A 88 64.150 9.135 2.685 1.00 0.00 H new ATOM 0 HA LEU A 88 63.214 10.918 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 88 63.591 7.988 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 88 62.383 8.456 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 88 64.031 9.693 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 88 66.414 9.685 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 88 65.417 10.520 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 88 66.008 8.871 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 88 65.481 7.819 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 88 65.035 6.936 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 88 63.799 7.294 -1.851 1.00 0.00 H new ATOM 658 N ILE A 89 61.014 9.096 2.319 1.00 0.00 N ATOM 659 CA ILE A 89 59.612 9.013 2.715 1.00 0.00 C ATOM 660 C ILE A 89 59.150 10.323 3.361 1.00 0.00 C ATOM 661 O ILE A 89 58.074 10.836 3.051 1.00 0.00 O ATOM 662 CB ILE A 89 59.385 7.812 3.678 1.00 0.00 C ATOM 663 CG1 ILE A 89 58.491 6.752 3.016 1.00 0.00 C ATOM 664 CG2 ILE A 89 58.798 8.252 5.016 1.00 0.00 C ATOM 665 CD1 ILE A 89 59.230 5.872 2.034 1.00 0.00 C ATOM 0 H ILE A 89 61.600 8.350 2.694 1.00 0.00 H new ATOM 0 HA ILE A 89 59.014 8.850 1.819 1.00 0.00 H new ATOM 0 HB ILE A 89 60.361 7.372 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 89 58.047 6.126 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 89 57.670 7.250 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 89 58.657 7.381 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 89 59.480 8.951 5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 89 57.837 8.739 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 89 58.539 5.147 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 89 59.651 6.488 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 89 60.034 5.346 2.550 1.00 0.00 H new ATOM 677 N ASN A 90 59.976 10.860 4.254 1.00 0.00 N ATOM 678 CA ASN A 90 59.657 12.111 4.936 1.00 0.00 C ATOM 679 C ASN A 90 59.544 13.256 3.937 1.00 0.00 C ATOM 680 O ASN A 90 58.518 13.933 3.867 1.00 0.00 O ATOM 681 CB ASN A 90 60.726 12.434 5.982 1.00 0.00 C ATOM 682 CG ASN A 90 60.138 13.027 7.246 1.00 0.00 C ATOM 683 OD1 ASN A 90 60.518 12.655 8.357 1.00 0.00 O ATOM 684 ND2 ASN A 90 59.203 13.957 7.085 1.00 0.00 N ATOM 0 H ASN A 90 60.870 10.449 4.522 1.00 0.00 H new ATOM 0 HA ASN A 90 58.696 11.990 5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.273 11.525 6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 90 61.446 13.133 5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 90 58.771 14.392 7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 90 58.917 14.236 6.146 1.00 0.00 H new ATOM 691 N GLY A 91 60.602 13.466 3.158 1.00 0.00 N ATOM 692 CA GLY A 91 60.593 14.528 2.168 1.00 0.00 C ATOM 693 C GLY A 91 59.376 14.455 1.267 1.00 0.00 C ATOM 694 O GLY A 91 58.863 15.479 0.816 1.00 0.00 O ATOM 0 H GLY A 91 61.463 12.921 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 91 60.613 15.494 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 91 61.497 14.466 1.562 1.00 0.00 H new ATOM 698 N TYR A 92 58.910 13.236 1.016 1.00 0.00 N ATOM 699 CA TYR A 92 57.739 13.025 0.176 1.00 0.00 C ATOM 700 C TYR A 92 56.491 13.561 0.871 1.00 0.00 C ATOM 701 O TYR A 92 55.598 14.115 0.232 1.00 0.00 O ATOM 702 CB TYR A 92 57.574 11.534 -0.135 1.00 0.00 C ATOM 703 CG TYR A 92 58.795 10.901 -0.771 1.00 0.00 C ATOM 704 CD1 TYR A 92 59.653 11.647 -1.571 1.00 0.00 C ATOM 705 CD2 TYR A 92 59.093 9.559 -0.567 1.00 0.00 C ATOM 706 CE1 TYR A 92 60.771 11.073 -2.148 1.00 0.00 C ATOM 707 CE2 TYR A 92 60.209 8.977 -1.140 1.00 0.00 C ATOM 708 CZ TYR A 92 61.046 9.739 -1.929 1.00 0.00 C ATOM 709 OH TYR A 92 62.161 9.168 -2.502 1.00 0.00 O ATOM 0 H TYR A 92 59.326 12.380 1.383 1.00 0.00 H new ATOM 0 HA TYR A 92 57.877 13.564 -0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.341 11.004 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 92 56.721 11.404 -0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 92 59.443 12.692 -1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 92 58.441 8.959 0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 92 61.426 11.667 -2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 92 60.424 7.932 -0.971 1.00 0.00 H new ATOM 0 HH TYR A 92 62.186 9.387 -3.457 1.00 0.00 H new ATOM 719 N ILE A 93 56.445 13.393 2.190 1.00 0.00 N ATOM 720 CA ILE A 93 55.316 13.863 2.986 1.00 0.00 C ATOM 721 C ILE A 93 55.160 15.380 2.881 1.00 0.00 C ATOM 722 O ILE A 93 54.057 15.884 2.677 1.00 0.00 O ATOM 723 CB ILE A 93 55.471 13.449 4.471 1.00 0.00 C ATOM 724 CG1 ILE A 93 54.922 12.038 4.684 1.00 0.00 C ATOM 725 CG2 ILE A 93 54.767 14.433 5.401 1.00 0.00 C ATOM 726 CD1 ILE A 93 55.069 11.537 6.105 1.00 0.00 C ATOM 0 H ILE A 93 57.178 12.934 2.730 1.00 0.00 H new ATOM 0 HA ILE A 93 54.418 13.394 2.585 1.00 0.00 H new ATOM 0 HB ILE A 93 56.534 13.462 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 93 53.867 12.023 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 93 55.436 11.352 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 93 54.896 14.112 6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 93 55.197 15.426 5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 93 53.704 14.464 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 93 54.658 10.530 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 93 56.124 11.519 6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 93 54.531 12.200 6.782 1.00 0.00 H new ATOM 738 N GLN A 94 56.267 16.098 3.029 1.00 0.00 N ATOM 739 CA GLN A 94 56.244 17.556 2.958 1.00 0.00 C ATOM 740 C GLN A 94 55.789 18.041 1.583 1.00 0.00 C ATOM 741 O GLN A 94 54.793 18.753 1.463 1.00 0.00 O ATOM 742 CB GLN A 94 57.631 18.121 3.276 1.00 0.00 C ATOM 743 CG GLN A 94 57.648 19.633 3.438 1.00 0.00 C ATOM 744 CD GLN A 94 57.663 20.062 4.892 1.00 0.00 C ATOM 745 OE1 GLN A 94 58.686 19.961 5.571 1.00 0.00 O ATOM 746 NE2 GLN A 94 56.524 20.543 5.379 1.00 0.00 N ATOM 0 H GLN A 94 57.189 15.697 3.198 1.00 0.00 H new ATOM 0 HA GLN A 94 55.528 17.914 3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 94 58.000 17.661 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 94 58.320 17.841 2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 94 58.525 20.039 2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 94 56.773 20.058 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 94 55.701 20.609 4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 94 56.473 20.846 6.351 1.00 0.00 H new ATOM 755 N LYS A 95 56.532 17.658 0.551 1.00 0.00 N ATOM 756 CA LYS A 95 56.223 18.054 -0.823 1.00 0.00 C ATOM 757 C LYS A 95 54.737 17.887 -1.145 1.00 0.00 C ATOM 758 O LYS A 95 54.066 18.834 -1.566 1.00 0.00 O ATOM 759 CB LYS A 95 57.067 17.231 -1.798 1.00 0.00 C ATOM 760 CG LYS A 95 58.032 18.067 -2.622 1.00 0.00 C ATOM 761 CD LYS A 95 59.163 18.615 -1.766 1.00 0.00 C ATOM 762 CE LYS A 95 59.522 20.038 -2.160 1.00 0.00 C ATOM 763 NZ LYS A 95 60.309 20.083 -3.423 1.00 0.00 N ATOM 0 H LYS A 95 57.360 17.069 0.639 1.00 0.00 H new ATOM 0 HA LYS A 95 56.463 19.112 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 95 57.632 16.486 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 95 56.404 16.688 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 95 58.445 17.460 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 95 57.494 18.892 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 95 58.871 18.590 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 95 60.040 17.976 -1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 95 58.610 20.623 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 95 60.096 20.503 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 60.748 21.020 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 61.051 19.355 -3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 59.679 19.905 -4.231 1.00 0.00 H new ATOM 777 N ILE A 96 54.231 16.673 -0.953 1.00 0.00 N ATOM 778 CA ILE A 96 52.830 16.378 -1.226 1.00 0.00 C ATOM 779 C ILE A 96 51.910 17.197 -0.329 1.00 0.00 C ATOM 780 O ILE A 96 50.984 17.852 -0.807 1.00 0.00 O ATOM 781 CB ILE A 96 52.533 14.880 -1.035 1.00 0.00 C ATOM 782 CG1 ILE A 96 53.468 14.056 -1.915 1.00 0.00 C ATOM 783 CG2 ILE A 96 51.078 14.574 -1.363 1.00 0.00 C ATOM 784 CD1 ILE A 96 53.658 12.633 -1.438 1.00 0.00 C ATOM 0 H ILE A 96 54.770 15.878 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 96 52.640 16.647 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 96 52.704 14.615 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 96 53.075 14.039 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 96 54.440 14.548 -1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 96 50.889 13.510 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 96 50.428 15.149 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 96 50.874 14.844 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 96 54.335 12.110 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 96 54.081 12.639 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 96 52.695 12.123 -1.423 1.00 0.00 H new ATOM 796 N LYS A 97 52.175 17.160 0.971 1.00 0.00 N ATOM 797 CA LYS A 97 51.370 17.906 1.929 1.00 0.00 C ATOM 798 C LYS A 97 51.460 19.406 1.667 1.00 0.00 C ATOM 799 O LYS A 97 50.600 20.171 2.101 1.00 0.00 O ATOM 800 CB LYS A 97 51.819 17.599 3.360 1.00 0.00 C ATOM 801 CG LYS A 97 51.345 16.246 3.868 1.00 0.00 C ATOM 802 CD LYS A 97 50.825 16.338 5.295 1.00 0.00 C ATOM 803 CE LYS A 97 50.977 15.017 6.033 1.00 0.00 C ATOM 804 NZ LYS A 97 51.607 15.197 7.370 1.00 0.00 N ATOM 0 H LYS A 97 52.938 16.624 1.384 1.00 0.00 H new ATOM 0 HA LYS A 97 50.332 17.595 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 97 52.907 17.634 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 97 51.446 18.379 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 97 50.558 15.867 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 97 52.167 15.531 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 97 51.366 17.119 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 97 49.775 16.629 5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 97 49.998 14.553 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 97 51.582 14.335 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 51.693 14.274 7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 52.552 15.616 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 51.017 15.827 7.950 1.00 0.00 H new ATOM 818 N SER A 98 52.504 19.825 0.951 1.00 0.00 N ATOM 819 CA SER A 98 52.686 21.236 0.638 1.00 0.00 C ATOM 820 C SER A 98 51.871 21.624 -0.589 1.00 0.00 C ATOM 821 O SER A 98 51.495 22.784 -0.759 1.00 0.00 O ATOM 822 CB SER A 98 54.165 21.545 0.404 1.00 0.00 C ATOM 823 OG SER A 98 54.545 21.253 -0.929 1.00 0.00 O ATOM 0 H SER A 98 53.229 19.210 0.581 1.00 0.00 H new ATOM 0 HA SER A 98 52.335 21.821 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 98 54.358 22.596 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 98 54.775 20.962 1.095 1.00 0.00 H new ATOM 0 HG SER A 98 54.510 20.284 -1.074 1.00 0.00 H new ATOM 829 N GLY A 99 51.614 20.644 -1.450 1.00 0.00 N ATOM 830 CA GLY A 99 50.860 20.900 -2.659 1.00 0.00 C ATOM 831 C GLY A 99 51.761 21.256 -3.825 1.00 0.00 C ATOM 832 O GLY A 99 51.290 21.717 -4.865 1.00 0.00 O ATOM 0 H GLY A 99 51.916 19.677 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 99 50.270 20.019 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 99 50.157 21.714 -2.482 1.00 0.00 H new ATOM 836 N GLU A 100 53.062 21.037 -3.649 1.00 0.00 N ATOM 837 CA GLU A 100 54.032 21.335 -4.692 1.00 0.00 C ATOM 838 C GLU A 100 54.298 20.100 -5.544 1.00 0.00 C ATOM 839 O GLU A 100 54.437 20.197 -6.763 1.00 0.00 O ATOM 840 CB GLU A 100 55.340 21.837 -4.076 1.00 0.00 C ATOM 841 CG GLU A 100 55.480 23.350 -4.101 1.00 0.00 C ATOM 842 CD GLU A 100 56.882 23.800 -4.466 1.00 0.00 C ATOM 843 OE1 GLU A 100 57.822 22.991 -4.316 1.00 0.00 O ATOM 844 OE2 GLU A 100 57.039 24.959 -4.901 1.00 0.00 O ATOM 0 H GLU A 100 53.465 20.655 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 100 53.619 22.117 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 100 55.403 21.491 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 100 56.179 21.393 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 100 54.771 23.765 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 100 55.217 23.752 -3.123 1.00 0.00 H new ATOM 851 N GLU A 101 54.363 18.937 -4.898 1.00 0.00 N ATOM 852 CA GLU A 101 54.611 17.693 -5.617 1.00 0.00 C ATOM 853 C GLU A 101 53.433 16.731 -5.458 1.00 0.00 C ATOM 854 O GLU A 101 52.679 16.816 -4.488 1.00 0.00 O ATOM 855 CB GLU A 101 55.904 17.047 -5.127 1.00 0.00 C ATOM 856 CG GLU A 101 57.097 17.320 -6.028 1.00 0.00 C ATOM 857 CD GLU A 101 57.301 18.798 -6.296 1.00 0.00 C ATOM 858 OE1 GLU A 101 57.696 19.522 -5.358 1.00 0.00 O ATOM 859 OE2 GLU A 101 57.067 19.232 -7.444 1.00 0.00 O ATOM 0 H GLU A 101 54.249 18.832 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 101 54.719 17.923 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 101 56.125 17.411 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 101 55.756 15.970 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 101 57.996 16.911 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 101 56.959 16.799 -6.975 1.00 0.00 H new ATOM 866 N ASP A 102 53.269 15.834 -6.425 1.00 0.00 N ATOM 867 CA ASP A 102 52.168 14.873 -6.398 1.00 0.00 C ATOM 868 C ASP A 102 52.623 13.487 -5.962 1.00 0.00 C ATOM 869 O ASP A 102 53.680 13.005 -6.370 1.00 0.00 O ATOM 870 CB ASP A 102 51.479 14.797 -7.766 1.00 0.00 C ATOM 871 CG ASP A 102 52.449 14.872 -8.930 1.00 0.00 C ATOM 872 OD1 ASP A 102 53.673 14.915 -8.686 1.00 0.00 O ATOM 873 OD2 ASP A 102 51.984 14.888 -10.089 1.00 0.00 O ATOM 0 H ASP A 102 53.882 15.751 -7.236 1.00 0.00 H new ATOM 0 HA ASP A 102 51.453 15.232 -5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 102 50.916 13.866 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 102 50.759 15.611 -7.849 1.00 0.00 H new ATOM 878 N PHE A 103 51.800 12.853 -5.131 1.00 0.00 N ATOM 879 CA PHE A 103 52.086 11.518 -4.625 1.00 0.00 C ATOM 880 C PHE A 103 52.235 10.530 -5.772 1.00 0.00 C ATOM 881 O PHE A 103 53.157 9.713 -5.787 1.00 0.00 O ATOM 882 CB PHE A 103 50.964 11.069 -3.689 1.00 0.00 C ATOM 883 CG PHE A 103 51.350 9.935 -2.784 1.00 0.00 C ATOM 884 CD1 PHE A 103 51.479 8.645 -3.276 1.00 0.00 C ATOM 885 CD2 PHE A 103 51.586 10.161 -1.440 1.00 0.00 C ATOM 886 CE1 PHE A 103 51.841 7.603 -2.442 1.00 0.00 C ATOM 887 CE2 PHE A 103 51.945 9.127 -0.600 1.00 0.00 C ATOM 888 CZ PHE A 103 52.074 7.846 -1.099 1.00 0.00 C ATOM 0 H PHE A 103 50.923 13.249 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 103 53.025 11.548 -4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 103 50.650 11.917 -3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 103 50.103 10.769 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 103 51.295 8.452 -4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 103 51.488 11.160 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 103 51.942 6.603 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 103 52.125 9.319 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 103 52.356 7.036 -0.443 1.00 0.00 H new ATOM 898 N GLU A 104 51.326 10.615 -6.737 1.00 0.00 N ATOM 899 CA GLU A 104 51.360 9.732 -7.894 1.00 0.00 C ATOM 900 C GLU A 104 52.713 9.821 -8.592 1.00 0.00 C ATOM 901 O GLU A 104 53.380 8.812 -8.804 1.00 0.00 O ATOM 902 CB GLU A 104 50.241 10.090 -8.873 1.00 0.00 C ATOM 903 CG GLU A 104 48.870 10.190 -8.221 1.00 0.00 C ATOM 904 CD GLU A 104 48.518 8.956 -7.412 1.00 0.00 C ATOM 905 OE1 GLU A 104 49.110 7.888 -7.670 1.00 0.00 O ATOM 906 OE2 GLU A 104 47.649 9.060 -6.521 1.00 0.00 O ATOM 0 H GLU A 104 50.558 11.286 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 104 51.210 8.709 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 104 50.477 11.041 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 104 50.205 9.338 -9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 104 48.843 11.065 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 104 48.115 10.342 -8.992 1.00 0.00 H new ATOM 913 N SER A 105 53.116 11.039 -8.932 1.00 0.00 N ATOM 914 CA SER A 105 54.395 11.252 -9.597 1.00 0.00 C ATOM 915 C SER A 105 55.545 10.886 -8.671 1.00 0.00 C ATOM 916 O SER A 105 56.505 10.239 -9.089 1.00 0.00 O ATOM 917 CB SER A 105 54.533 12.706 -10.048 1.00 0.00 C ATOM 918 OG SER A 105 55.327 12.804 -11.219 1.00 0.00 O ATOM 0 H SER A 105 52.580 11.889 -8.760 1.00 0.00 H new ATOM 0 HA SER A 105 54.431 10.608 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 105 53.545 13.126 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 105 54.982 13.297 -9.250 1.00 0.00 H new ATOM 0 HG SER A 105 55.399 13.744 -11.488 1.00 0.00 H new ATOM 924 N LEU A 106 55.447 11.293 -7.406 1.00 0.00 N ATOM 925 CA LEU A 106 56.498 10.986 -6.441 1.00 0.00 C ATOM 926 C LEU A 106 56.674 9.475 -6.297 1.00 0.00 C ATOM 927 O LEU A 106 57.720 8.928 -6.655 1.00 0.00 O ATOM 928 CB LEU A 106 56.165 11.593 -5.078 1.00 0.00 C ATOM 929 CG LEU A 106 56.425 13.095 -4.957 1.00 0.00 C ATOM 930 CD1 LEU A 106 55.264 13.777 -4.250 1.00 0.00 C ATOM 931 CD2 LEU A 106 57.732 13.356 -4.220 1.00 0.00 C ATOM 0 H LEU A 106 54.663 11.828 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 106 57.429 11.418 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 106 55.114 11.403 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 106 56.747 11.076 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 106 56.512 13.513 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 106 55.463 14.846 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 106 54.348 13.620 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 106 55.147 13.355 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 106 57.899 14.431 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 106 57.678 12.926 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 106 58.556 12.899 -4.768 1.00 0.00 H new ATOM 943 N ALA A 107 55.637 8.810 -5.781 1.00 0.00 N ATOM 944 CA ALA A 107 55.658 7.359 -5.590 1.00 0.00 C ATOM 945 C ALA A 107 56.356 6.656 -6.737 1.00 0.00 C ATOM 946 O ALA A 107 57.307 5.920 -6.529 1.00 0.00 O ATOM 947 CB ALA A 107 54.243 6.823 -5.432 1.00 0.00 C ATOM 0 H ALA A 107 54.769 9.257 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 107 56.221 7.155 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 107 54.277 5.743 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 107 53.773 7.288 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 107 53.664 7.054 -6.326 1.00 0.00 H new ATOM 953 N SER A 108 55.881 6.886 -7.947 1.00 0.00 N ATOM 954 CA SER A 108 56.471 6.262 -9.120 1.00 0.00 C ATOM 955 C SER A 108 57.997 6.395 -9.127 1.00 0.00 C ATOM 956 O SER A 108 58.715 5.399 -9.221 1.00 0.00 O ATOM 957 CB SER A 108 55.896 6.886 -10.394 1.00 0.00 C ATOM 958 OG SER A 108 56.687 6.562 -11.524 1.00 0.00 O ATOM 0 H SER A 108 55.090 7.499 -8.145 1.00 0.00 H new ATOM 0 HA SER A 108 56.224 5.201 -9.086 1.00 0.00 H new ATOM 0 HB2 SER A 108 54.876 6.533 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 108 55.845 7.969 -10.281 1.00 0.00 H new ATOM 0 HG SER A 108 56.297 6.971 -12.324 1.00 0.00 H new ATOM 964 N GLN A 109 58.484 7.633 -9.035 1.00 0.00 N ATOM 965 CA GLN A 109 59.922 7.902 -9.069 1.00 0.00 C ATOM 966 C GLN A 109 60.652 7.373 -7.841 1.00 0.00 C ATOM 967 O GLN A 109 61.883 7.350 -7.812 1.00 0.00 O ATOM 968 CB GLN A 109 60.167 9.406 -9.194 1.00 0.00 C ATOM 969 CG GLN A 109 60.031 9.929 -10.616 1.00 0.00 C ATOM 970 CD GLN A 109 61.329 10.497 -11.157 1.00 0.00 C ATOM 971 OE1 GLN A 109 61.337 11.528 -11.829 1.00 0.00 O ATOM 972 NE2 GLN A 109 62.434 9.822 -10.868 1.00 0.00 N ATOM 0 H GLN A 109 57.903 8.466 -8.936 1.00 0.00 H new ATOM 0 HA GLN A 109 60.320 7.377 -9.937 1.00 0.00 H new ATOM 0 HB2 GLN A 109 59.462 9.935 -8.552 1.00 0.00 H new ATOM 0 HB3 GLN A 109 61.167 9.635 -8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 109 59.694 9.121 -11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 109 59.262 10.701 -10.643 1.00 0.00 H new ATOM 0 HE21 GLN A 109 62.380 8.972 -10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 109 63.337 10.153 -11.206 1.00 0.00 H new ATOM 981 N PHE A 110 59.909 6.946 -6.834 1.00 0.00 N ATOM 982 CA PHE A 110 60.525 6.419 -5.623 1.00 0.00 C ATOM 983 C PHE A 110 59.869 5.114 -5.183 1.00 0.00 C ATOM 984 O PHE A 110 60.200 4.573 -4.127 1.00 0.00 O ATOM 985 CB PHE A 110 60.444 7.456 -4.502 1.00 0.00 C ATOM 986 CG PHE A 110 60.875 8.831 -4.930 1.00 0.00 C ATOM 987 CD1 PHE A 110 62.204 9.093 -5.228 1.00 0.00 C ATOM 988 CD2 PHE A 110 59.954 9.859 -5.037 1.00 0.00 C ATOM 989 CE1 PHE A 110 62.603 10.355 -5.625 1.00 0.00 C ATOM 990 CE2 PHE A 110 60.347 11.123 -5.433 1.00 0.00 C ATOM 991 CZ PHE A 110 61.674 11.371 -5.727 1.00 0.00 C ATOM 0 H PHE A 110 58.889 6.952 -6.828 1.00 0.00 H new ATOM 0 HA PHE A 110 61.571 6.206 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 110 59.419 7.503 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 110 61.068 7.130 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 110 62.935 8.302 -5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 110 58.915 9.671 -4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 110 63.641 10.546 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 110 59.618 11.916 -5.513 1.00 0.00 H new ATOM 0 HZ PHE A 110 61.984 12.358 -6.036 1.00 0.00 H new ATOM 1001 N SER A 111 58.930 4.613 -5.983 1.00 0.00 N ATOM 1002 CA SER A 111 58.233 3.378 -5.646 1.00 0.00 C ATOM 1003 C SER A 111 59.084 2.150 -5.942 1.00 0.00 C ATOM 1004 O SER A 111 59.152 1.698 -7.086 1.00 0.00 O ATOM 1005 CB SER A 111 56.911 3.285 -6.410 1.00 0.00 C ATOM 1006 OG SER A 111 55.851 3.862 -5.670 1.00 0.00 O ATOM 0 H SER A 111 58.637 5.040 -6.862 1.00 0.00 H new ATOM 0 HA SER A 111 58.033 3.401 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 111 57.006 3.792 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 111 56.683 2.240 -6.623 1.00 0.00 H new ATOM 0 HG SER A 111 55.050 3.303 -5.755 1.00 0.00 H new ATOM 1012 N ASP A 112 59.710 1.594 -4.911 1.00 0.00 N ATOM 1013 CA ASP A 112 60.522 0.397 -5.087 1.00 0.00 C ATOM 1014 C ASP A 112 59.620 -0.828 -5.247 1.00 0.00 C ATOM 1015 O ASP A 112 60.081 -1.906 -5.616 1.00 0.00 O ATOM 1016 CB ASP A 112 61.470 0.212 -3.902 1.00 0.00 C ATOM 1017 CG ASP A 112 62.698 1.096 -3.998 1.00 0.00 C ATOM 1018 OD1 ASP A 112 62.960 1.632 -5.096 1.00 0.00 O ATOM 1019 OD2 ASP A 112 63.398 1.255 -2.976 1.00 0.00 O ATOM 0 H ASP A 112 59.672 1.948 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 112 61.123 0.511 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 112 60.938 0.434 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 112 61.781 -0.831 -3.849 1.00 0.00 H new ATOM 1024 N CYS A 113 58.327 -0.643 -4.981 1.00 0.00 N ATOM 1025 CA CYS A 113 57.354 -1.719 -5.108 1.00 0.00 C ATOM 1026 C CYS A 113 56.732 -1.704 -6.501 1.00 0.00 C ATOM 1027 O CYS A 113 56.820 -0.707 -7.221 1.00 0.00 O ATOM 1028 CB CYS A 113 56.260 -1.572 -4.048 1.00 0.00 C ATOM 1029 SG CYS A 113 55.263 -3.060 -3.799 1.00 0.00 S ATOM 0 H CYS A 113 57.932 0.246 -4.675 1.00 0.00 H new ATOM 0 HA CYS A 113 57.865 -2.670 -4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 113 56.723 -1.296 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 113 55.602 -0.751 -4.333 1.00 0.00 H new ATOM 0 HG CYS A 113 54.369 -2.835 -2.883 1.00 0.00 H new ATOM 1035 N SER A 114 56.104 -2.809 -6.881 1.00 0.00 N ATOM 1036 CA SER A 114 55.473 -2.918 -8.192 1.00 0.00 C ATOM 1037 C SER A 114 54.349 -1.895 -8.381 1.00 0.00 C ATOM 1038 O SER A 114 53.695 -1.873 -9.425 1.00 0.00 O ATOM 1039 CB SER A 114 54.924 -4.328 -8.391 1.00 0.00 C ATOM 1040 OG SER A 114 55.936 -5.302 -8.207 1.00 0.00 O ATOM 0 H SER A 114 56.017 -3.643 -6.301 1.00 0.00 H new ATOM 0 HA SER A 114 56.239 -2.708 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 114 54.111 -4.507 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 114 54.505 -4.420 -9.393 1.00 0.00 H new ATOM 0 HG SER A 114 55.557 -6.196 -8.338 1.00 0.00 H new ATOM 1046 N SER A 115 54.126 -1.050 -7.380 1.00 0.00 N ATOM 1047 CA SER A 115 53.084 -0.034 -7.455 1.00 0.00 C ATOM 1048 C SER A 115 53.359 0.936 -8.597 1.00 0.00 C ATOM 1049 O SER A 115 52.436 1.519 -9.166 1.00 0.00 O ATOM 1050 CB SER A 115 52.988 0.729 -6.133 1.00 0.00 C ATOM 1051 OG SER A 115 54.064 1.642 -5.991 1.00 0.00 O ATOM 0 H SER A 115 54.654 -1.049 -6.507 1.00 0.00 H new ATOM 0 HA SER A 115 52.134 -0.534 -7.645 1.00 0.00 H new ATOM 0 HB2 SER A 115 52.042 1.268 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 115 52.993 0.024 -5.302 1.00 0.00 H new ATOM 0 HG SER A 115 54.274 1.755 -5.040 1.00 0.00 H new ATOM 1057 N ALA A 116 54.640 1.106 -8.925 1.00 0.00 N ATOM 1058 CA ALA A 116 55.052 2.006 -10.000 1.00 0.00 C ATOM 1059 C ALA A 116 54.147 1.885 -11.224 1.00 0.00 C ATOM 1060 O ALA A 116 53.956 2.853 -11.959 1.00 0.00 O ATOM 1061 CB ALA A 116 56.497 1.734 -10.385 1.00 0.00 C ATOM 0 H ALA A 116 55.412 0.630 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 116 54.963 3.026 -9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 116 56.793 2.410 -11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 116 57.140 1.893 -9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 116 56.595 0.703 -10.725 1.00 0.00 H new ATOM 1067 N LYS A 117 53.588 0.696 -11.441 1.00 0.00 N ATOM 1068 CA LYS A 117 52.702 0.471 -12.582 1.00 0.00 C ATOM 1069 C LYS A 117 51.592 1.520 -12.612 1.00 0.00 C ATOM 1070 O LYS A 117 51.107 1.900 -13.678 1.00 0.00 O ATOM 1071 CB LYS A 117 52.111 -0.947 -12.533 1.00 0.00 C ATOM 1072 CG LYS A 117 50.788 -1.051 -11.785 1.00 0.00 C ATOM 1073 CD LYS A 117 49.604 -0.927 -12.732 1.00 0.00 C ATOM 1074 CE LYS A 117 49.048 -2.291 -13.111 1.00 0.00 C ATOM 1075 NZ LYS A 117 48.103 -2.202 -14.259 1.00 0.00 N ATOM 0 H LYS A 117 53.731 -0.121 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 117 53.286 0.566 -13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 117 51.967 -1.303 -13.553 1.00 0.00 H new ATOM 0 HB3 LYS A 117 52.834 -1.613 -12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 117 50.738 -2.006 -11.261 1.00 0.00 H new ATOM 0 HG3 LYS A 117 50.734 -0.269 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 117 48.821 -0.332 -12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 117 49.911 -0.395 -13.632 1.00 0.00 H new ATOM 0 HE2 LYS A 117 49.869 -2.960 -13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 117 48.537 -2.727 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 47.745 -3.151 -14.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 47.306 -1.583 -14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 48.597 -1.809 -15.086 1.00 0.00 H new ATOM 1089 N ALA A 118 51.207 1.990 -11.429 1.00 0.00 N ATOM 1090 CA ALA A 118 50.168 3.004 -11.305 1.00 0.00 C ATOM 1091 C ALA A 118 50.656 4.173 -10.455 1.00 0.00 C ATOM 1092 O ALA A 118 49.857 4.908 -9.873 1.00 0.00 O ATOM 1093 CB ALA A 118 48.904 2.398 -10.710 1.00 0.00 C ATOM 0 H ALA A 118 51.602 1.683 -10.540 1.00 0.00 H new ATOM 0 HA ALA A 118 49.934 3.382 -12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 118 48.137 3.168 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 118 48.544 1.598 -11.358 1.00 0.00 H new ATOM 0 HB3 ALA A 118 49.125 1.993 -9.722 1.00 0.00 H new ATOM 1099 N ARG A 119 51.976 4.341 -10.391 1.00 0.00 N ATOM 1100 CA ARG A 119 52.582 5.418 -9.620 1.00 0.00 C ATOM 1101 C ARG A 119 52.148 5.362 -8.156 1.00 0.00 C ATOM 1102 O ARG A 119 51.774 6.377 -7.568 1.00 0.00 O ATOM 1103 CB ARG A 119 52.237 6.787 -10.226 1.00 0.00 C ATOM 1104 CG ARG A 119 51.609 6.720 -11.611 1.00 0.00 C ATOM 1105 CD ARG A 119 51.868 7.993 -12.401 1.00 0.00 C ATOM 1106 NE ARG A 119 53.212 8.021 -12.973 1.00 0.00 N ATOM 1107 CZ ARG A 119 53.642 8.962 -13.810 1.00 0.00 C ATOM 1108 NH1 ARG A 119 52.839 9.952 -14.177 1.00 0.00 N ATOM 1109 NH2 ARG A 119 54.881 8.911 -14.284 1.00 0.00 N ATOM 0 H ARG A 119 52.647 3.739 -10.868 1.00 0.00 H new ATOM 0 HA ARG A 119 53.663 5.284 -9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 119 51.553 7.306 -9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 119 53.146 7.386 -10.281 1.00 0.00 H new ATOM 0 HG2 ARG A 119 52.012 5.865 -12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 119 50.535 6.560 -11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 119 51.132 8.079 -13.201 1.00 0.00 H new ATOM 0 HD3 ARG A 119 51.733 8.857 -11.750 1.00 0.00 H new ATOM 0 HE ARG A 119 53.859 7.275 -12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 119 51.886 9.995 -13.817 1.00 0.00 H new ATOM 0 HH12 ARG A 119 53.175 10.670 -14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 119 55.502 8.151 -14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 119 55.212 9.632 -14.926 1.00 0.00 H new ATOM 1123 N GLY A 120 52.212 4.168 -7.571 1.00 0.00 N ATOM 1124 CA GLY A 120 51.833 4.002 -6.178 1.00 0.00 C ATOM 1125 C GLY A 120 50.376 3.623 -6.003 1.00 0.00 C ATOM 1126 O GLY A 120 50.046 2.770 -5.179 1.00 0.00 O ATOM 0 H GLY A 120 52.519 3.314 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 120 52.460 3.233 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 120 52.029 4.930 -5.641 1.00 0.00 H new ATOM 1130 N ASP A 121 49.501 4.262 -6.773 1.00 0.00 N ATOM 1131 CA ASP A 121 48.068 3.988 -6.693 1.00 0.00 C ATOM 1132 C ASP A 121 47.783 2.498 -6.851 1.00 0.00 C ATOM 1133 O ASP A 121 48.160 1.884 -7.847 1.00 0.00 O ATOM 1134 CB ASP A 121 47.318 4.779 -7.766 1.00 0.00 C ATOM 1135 CG ASP A 121 45.816 4.604 -7.670 1.00 0.00 C ATOM 1136 OD1 ASP A 121 45.174 5.381 -6.932 1.00 0.00 O ATOM 1137 OD2 ASP A 121 45.282 3.689 -8.331 1.00 0.00 O ATOM 0 H ASP A 121 49.757 4.972 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 121 47.720 4.300 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 121 47.564 5.837 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 121 47.656 4.459 -8.752 1.00 0.00 H new ATOM 1142 N LEU A 122 47.108 1.921 -5.859 1.00 0.00 N ATOM 1143 CA LEU A 122 46.768 0.501 -5.891 1.00 0.00 C ATOM 1144 C LEU A 122 45.298 0.294 -6.248 1.00 0.00 C ATOM 1145 O LEU A 122 44.844 -0.839 -6.408 1.00 0.00 O ATOM 1146 CB LEU A 122 47.062 -0.162 -4.539 1.00 0.00 C ATOM 1147 CG LEU A 122 48.121 0.527 -3.672 1.00 0.00 C ATOM 1148 CD1 LEU A 122 47.711 0.492 -2.207 1.00 0.00 C ATOM 1149 CD2 LEU A 122 49.478 -0.136 -3.862 1.00 0.00 C ATOM 0 H LEU A 122 46.787 2.414 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 122 47.386 0.037 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 122 46.133 -0.213 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 122 47.381 -1.188 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 122 48.200 1.568 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 122 48.473 0.985 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 122 46.759 1.009 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 122 47.606 -0.543 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 122 50.218 0.366 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 122 49.414 -1.186 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 122 49.775 -0.064 -4.908 1.00 0.00 H new ATOM 1161 N GLY A 123 44.552 1.391 -6.363 1.00 0.00 N ATOM 1162 CA GLY A 123 43.143 1.293 -6.690 1.00 0.00 C ATOM 1163 C GLY A 123 42.294 1.003 -5.469 1.00 0.00 C ATOM 1164 O GLY A 123 42.823 0.750 -4.386 1.00 0.00 O ATOM 0 H GLY A 123 44.899 2.342 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 123 42.812 2.225 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 123 42.997 0.505 -7.429 1.00 0.00 H new ATOM 1168 N ALA A 124 40.978 1.036 -5.639 1.00 0.00 N ATOM 1169 CA ALA A 124 40.063 0.775 -4.536 1.00 0.00 C ATOM 1170 C ALA A 124 40.166 -0.677 -4.080 1.00 0.00 C ATOM 1171 O ALA A 124 39.853 -1.597 -4.836 1.00 0.00 O ATOM 1172 CB ALA A 124 38.635 1.108 -4.945 1.00 0.00 C ATOM 0 H ALA A 124 40.522 1.240 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 124 40.342 1.414 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 124 37.962 0.908 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 124 38.571 2.161 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 124 38.348 0.493 -5.798 1.00 0.00 H new ATOM 1178 N PHE A 125 40.607 -0.878 -2.841 1.00 0.00 N ATOM 1179 CA PHE A 125 40.750 -2.225 -2.297 1.00 0.00 C ATOM 1180 C PHE A 125 39.887 -2.416 -1.062 1.00 0.00 C ATOM 1181 O PHE A 125 39.212 -1.493 -0.607 1.00 0.00 O ATOM 1182 CB PHE A 125 42.206 -2.518 -1.938 1.00 0.00 C ATOM 1183 CG PHE A 125 42.868 -1.417 -1.158 1.00 0.00 C ATOM 1184 CD1 PHE A 125 42.680 -1.319 0.212 1.00 0.00 C ATOM 1185 CD2 PHE A 125 43.675 -0.485 -1.790 1.00 0.00 C ATOM 1186 CE1 PHE A 125 43.285 -0.310 0.937 1.00 0.00 C ATOM 1187 CE2 PHE A 125 44.282 0.527 -1.069 1.00 0.00 C ATOM 1188 CZ PHE A 125 44.087 0.615 0.296 1.00 0.00 C ATOM 0 H PHE A 125 40.870 -0.131 -2.199 1.00 0.00 H new ATOM 0 HA PHE A 125 40.421 -2.919 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 125 42.250 -3.440 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 125 42.769 -2.692 -2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 125 42.054 -2.039 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 125 43.832 -0.549 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 125 43.131 -0.244 2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 125 44.908 1.248 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.560 1.405 0.861 1.00 0.00 H new ATOM 1198 N SER A 126 39.924 -3.627 -0.526 1.00 0.00 N ATOM 1199 CA SER A 126 39.152 -3.966 0.665 1.00 0.00 C ATOM 1200 C SER A 126 40.072 -4.352 1.817 1.00 0.00 C ATOM 1201 O SER A 126 41.063 -5.058 1.622 1.00 0.00 O ATOM 1202 CB SER A 126 38.185 -5.112 0.364 1.00 0.00 C ATOM 1203 OG SER A 126 37.608 -4.966 -0.922 1.00 0.00 O ATOM 0 H SER A 126 40.482 -4.396 -0.897 1.00 0.00 H new ATOM 0 HA SER A 126 38.580 -3.086 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 126 38.714 -6.063 0.423 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.399 -5.137 1.118 1.00 0.00 H new ATOM 0 HG SER A 126 36.995 -5.711 -1.092 1.00 0.00 H new ATOM 1209 N ARG A 127 39.741 -3.889 3.017 1.00 0.00 N ATOM 1210 CA ARG A 127 40.541 -4.192 4.199 1.00 0.00 C ATOM 1211 C ARG A 127 40.642 -5.699 4.417 1.00 0.00 C ATOM 1212 O ARG A 127 39.630 -6.399 4.450 1.00 0.00 O ATOM 1213 CB ARG A 127 39.939 -3.528 5.440 1.00 0.00 C ATOM 1214 CG ARG A 127 38.435 -3.718 5.565 1.00 0.00 C ATOM 1215 CD ARG A 127 38.072 -4.596 6.752 1.00 0.00 C ATOM 1216 NE ARG A 127 37.497 -5.872 6.334 1.00 0.00 N ATOM 1217 CZ ARG A 127 36.255 -6.008 5.873 1.00 0.00 C ATOM 1218 NH1 ARG A 127 35.457 -4.953 5.770 1.00 0.00 N ATOM 1219 NH2 ARG A 127 35.811 -7.206 5.515 1.00 0.00 N ATOM 0 H ARG A 127 38.926 -3.303 3.198 1.00 0.00 H new ATOM 0 HA ARG A 127 41.543 -3.796 4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 127 40.423 -3.933 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 127 40.161 -2.461 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 127 37.954 -2.746 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 127 38.048 -4.166 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 127 38.963 -4.779 7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 127 37.361 -4.069 7.388 1.00 0.00 H new ATOM 0 HE ARG A 127 38.080 -6.706 6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 127 35.794 -4.030 6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 127 34.507 -5.065 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 127 36.421 -8.020 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 127 34.860 -7.313 5.162 1.00 0.00 H new ATOM 1233 N GLY A 128 41.869 -6.189 4.567 1.00 0.00 N ATOM 1234 CA GLY A 128 42.078 -7.610 4.783 1.00 0.00 C ATOM 1235 C GLY A 128 42.996 -8.234 3.746 1.00 0.00 C ATOM 1236 O GLY A 128 43.449 -9.365 3.913 1.00 0.00 O ATOM 0 H GLY A 128 42.721 -5.629 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 128 42.501 -7.764 5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 128 41.115 -8.121 4.764 1.00 0.00 H new ATOM 1240 N GLN A 129 43.268 -7.499 2.670 1.00 0.00 N ATOM 1241 CA GLN A 129 44.135 -7.997 1.606 1.00 0.00 C ATOM 1242 C GLN A 129 45.543 -7.424 1.731 1.00 0.00 C ATOM 1243 O GLN A 129 46.529 -8.127 1.512 1.00 0.00 O ATOM 1244 CB GLN A 129 43.548 -7.644 0.237 1.00 0.00 C ATOM 1245 CG GLN A 129 42.420 -8.564 -0.197 1.00 0.00 C ATOM 1246 CD GLN A 129 42.109 -8.448 -1.677 1.00 0.00 C ATOM 1247 OE1 GLN A 129 41.964 -9.451 -2.374 1.00 0.00 O ATOM 1248 NE2 GLN A 129 42.007 -7.216 -2.165 1.00 0.00 N ATOM 0 H GLN A 129 42.902 -6.560 2.512 1.00 0.00 H new ATOM 0 HA GLN A 129 44.197 -9.081 1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 129 43.180 -6.618 0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 129 44.342 -7.679 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 129 42.688 -9.595 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 129 41.524 -8.330 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 129 42.135 -6.412 -1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 129 41.801 -7.075 -3.154 1.00 0.00 H new ATOM 1257 N MET A 130 45.629 -6.147 2.085 1.00 0.00 N ATOM 1258 CA MET A 130 46.920 -5.482 2.239 1.00 0.00 C ATOM 1259 C MET A 130 47.495 -5.726 3.631 1.00 0.00 C ATOM 1260 O MET A 130 46.874 -6.389 4.463 1.00 0.00 O ATOM 1261 CB MET A 130 46.778 -3.980 1.989 1.00 0.00 C ATOM 1262 CG MET A 130 46.185 -3.642 0.631 1.00 0.00 C ATOM 1263 SD MET A 130 47.122 -4.355 -0.734 1.00 0.00 S ATOM 1264 CE MET A 130 46.064 -5.727 -1.190 1.00 0.00 C ATOM 0 H MET A 130 44.822 -5.551 2.271 1.00 0.00 H new ATOM 0 HA MET A 130 47.606 -5.902 1.503 1.00 0.00 H new ATOM 0 HB2 MET A 130 46.150 -3.548 2.768 1.00 0.00 H new ATOM 0 HB3 MET A 130 47.759 -3.512 2.075 1.00 0.00 H new ATOM 0 HG2 MET A 130 45.157 -4.002 0.588 1.00 0.00 H new ATOM 0 HG3 MET A 130 46.148 -2.559 0.515 1.00 0.00 H new ATOM 0 HE1 MET A 130 46.019 -5.806 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 130 46.467 -6.651 -0.775 1.00 0.00 H new ATOM 0 HE3 MET A 130 45.061 -5.560 -0.796 1.00 0.00 H new ATOM 1274 N GLN A 131 48.683 -5.184 3.878 1.00 0.00 N ATOM 1275 CA GLN A 131 49.340 -5.342 5.173 1.00 0.00 C ATOM 1276 C GLN A 131 48.488 -4.739 6.286 1.00 0.00 C ATOM 1277 O GLN A 131 47.701 -3.821 6.051 1.00 0.00 O ATOM 1278 CB GLN A 131 50.723 -4.686 5.153 1.00 0.00 C ATOM 1279 CG GLN A 131 51.586 -5.115 3.978 1.00 0.00 C ATOM 1280 CD GLN A 131 51.878 -6.603 3.982 1.00 0.00 C ATOM 1281 OE1 GLN A 131 51.268 -7.369 3.235 1.00 0.00 O ATOM 1282 NE2 GLN A 131 52.811 -7.022 4.829 1.00 0.00 N ATOM 0 H GLN A 131 49.210 -4.633 3.201 1.00 0.00 H new ATOM 0 HA GLN A 131 49.460 -6.408 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 131 50.601 -3.603 5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 131 51.243 -4.926 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 131 51.084 -4.849 3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 131 52.526 -4.564 4.002 1.00 0.00 H new ATOM 0 HE21 GLN A 131 53.292 -6.353 5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 131 53.047 -8.013 4.879 1.00 0.00 H new ATOM 1291 N LYS A 132 48.648 -5.262 7.497 1.00 0.00 N ATOM 1292 CA LYS A 132 47.888 -4.776 8.644 1.00 0.00 C ATOM 1293 C LYS A 132 48.120 -3.281 8.868 1.00 0.00 C ATOM 1294 O LYS A 132 47.176 -2.491 8.819 1.00 0.00 O ATOM 1295 CB LYS A 132 48.253 -5.574 9.903 1.00 0.00 C ATOM 1296 CG LYS A 132 47.721 -4.966 11.194 1.00 0.00 C ATOM 1297 CD LYS A 132 47.026 -6.007 12.058 1.00 0.00 C ATOM 1298 CE LYS A 132 45.926 -5.385 12.901 1.00 0.00 C ATOM 1299 NZ LYS A 132 44.995 -4.562 12.081 1.00 0.00 N ATOM 0 H LYS A 132 49.296 -6.021 7.710 1.00 0.00 H new ATOM 0 HA LYS A 132 46.828 -4.921 8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 132 47.866 -6.588 9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 132 49.338 -5.652 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 132 48.544 -4.519 11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 132 47.023 -4.163 10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 132 46.603 -6.785 11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 132 47.756 -6.488 12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 132 45.366 -6.173 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 132 46.372 -4.763 13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 44.061 -4.537 12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 45.367 -3.594 12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 44.906 -4.979 11.133 1.00 0.00 H new ATOM 1313 N PRO A 133 49.375 -2.864 9.115 1.00 0.00 N ATOM 1314 CA PRO A 133 49.696 -1.453 9.340 1.00 0.00 C ATOM 1315 C PRO A 133 49.244 -0.580 8.177 1.00 0.00 C ATOM 1316 O PRO A 133 48.916 0.593 8.354 1.00 0.00 O ATOM 1317 CB PRO A 133 51.225 -1.434 9.472 1.00 0.00 C ATOM 1318 CG PRO A 133 51.686 -2.746 8.929 1.00 0.00 C ATOM 1319 CD PRO A 133 50.571 -3.715 9.191 1.00 0.00 C ATOM 0 HA PRO A 133 49.189 -1.054 10.218 1.00 0.00 H new ATOM 0 HB2 PRO A 133 51.657 -0.604 8.913 1.00 0.00 H new ATOM 0 HB3 PRO A 133 51.528 -1.311 10.512 1.00 0.00 H new ATOM 0 HG2 PRO A 133 51.898 -2.674 7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 133 52.606 -3.069 9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 133 50.547 -4.514 8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 133 50.668 -4.189 10.168 1.00 0.00 H new ATOM 1327 N PHE A 134 49.218 -1.166 6.986 1.00 0.00 N ATOM 1328 CA PHE A 134 48.793 -0.453 5.790 1.00 0.00 C ATOM 1329 C PHE A 134 47.328 -0.068 5.898 1.00 0.00 C ATOM 1330 O PHE A 134 46.977 1.111 5.902 1.00 0.00 O ATOM 1331 CB PHE A 134 48.992 -1.329 4.554 1.00 0.00 C ATOM 1332 CG PHE A 134 49.002 -0.555 3.269 1.00 0.00 C ATOM 1333 CD1 PHE A 134 50.183 -0.036 2.765 1.00 0.00 C ATOM 1334 CD2 PHE A 134 47.826 -0.343 2.567 1.00 0.00 C ATOM 1335 CE1 PHE A 134 50.191 0.680 1.584 1.00 0.00 C ATOM 1336 CE2 PHE A 134 47.827 0.374 1.387 1.00 0.00 C ATOM 1337 CZ PHE A 134 49.011 0.886 0.893 1.00 0.00 C ATOM 0 H PHE A 134 49.487 -2.136 6.824 1.00 0.00 H new ATOM 0 HA PHE A 134 49.398 0.449 5.697 1.00 0.00 H new ATOM 0 HB2 PHE A 134 49.933 -1.871 4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 134 48.197 -2.074 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 134 51.107 -0.193 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 134 46.898 -0.743 2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 134 51.118 1.079 1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 134 46.903 0.534 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 134 49.015 1.446 -0.031 1.00 0.00 H new ATOM 1347 N GLU A 135 46.478 -1.082 5.980 1.00 0.00 N ATOM 1348 CA GLU A 135 45.039 -0.877 6.082 1.00 0.00 C ATOM 1349 C GLU A 135 44.691 0.078 7.221 1.00 0.00 C ATOM 1350 O GLU A 135 43.926 1.020 7.034 1.00 0.00 O ATOM 1351 CB GLU A 135 44.329 -2.216 6.290 1.00 0.00 C ATOM 1352 CG GLU A 135 43.296 -2.528 5.220 1.00 0.00 C ATOM 1353 CD GLU A 135 43.920 -3.087 3.956 1.00 0.00 C ATOM 1354 OE1 GLU A 135 44.383 -4.247 3.987 1.00 0.00 O ATOM 1355 OE2 GLU A 135 43.948 -2.366 2.938 1.00 0.00 O ATOM 0 H GLU A 135 46.762 -2.062 5.978 1.00 0.00 H new ATOM 0 HA GLU A 135 44.699 -0.428 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 135 45.072 -3.013 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 135 43.841 -2.212 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 135 42.575 -3.245 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 135 42.743 -1.620 4.978 1.00 0.00 H new ATOM 1362 N ASP A 136 45.254 -0.167 8.400 1.00 0.00 N ATOM 1363 CA ASP A 136 44.989 0.682 9.560 1.00 0.00 C ATOM 1364 C ASP A 136 45.254 2.147 9.235 1.00 0.00 C ATOM 1365 O ASP A 136 44.364 2.988 9.351 1.00 0.00 O ATOM 1366 CB ASP A 136 45.848 0.246 10.748 1.00 0.00 C ATOM 1367 CG ASP A 136 45.220 0.607 12.080 1.00 0.00 C ATOM 1368 OD1 ASP A 136 43.979 0.744 12.133 1.00 0.00 O ATOM 1369 OD2 ASP A 136 45.968 0.752 13.070 1.00 0.00 O ATOM 0 H ASP A 136 45.893 -0.941 8.579 1.00 0.00 H new ATOM 0 HA ASP A 136 43.937 0.572 9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 136 46.004 -0.832 10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 136 46.830 0.714 10.674 1.00 0.00 H new ATOM 1374 N ALA A 137 46.481 2.447 8.819 1.00 0.00 N ATOM 1375 CA ALA A 137 46.851 3.812 8.471 1.00 0.00 C ATOM 1376 C ALA A 137 45.941 4.351 7.373 1.00 0.00 C ATOM 1377 O ALA A 137 45.345 5.418 7.511 1.00 0.00 O ATOM 1378 CB ALA A 137 48.309 3.871 8.036 1.00 0.00 C ATOM 0 H ALA A 137 47.232 1.765 8.715 1.00 0.00 H new ATOM 0 HA ALA A 137 46.728 4.439 9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 137 48.571 4.897 7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 137 48.946 3.527 8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 137 48.455 3.231 7.166 1.00 0.00 H new ATOM 1384 N SER A 138 45.831 3.596 6.284 1.00 0.00 N ATOM 1385 CA SER A 138 44.985 3.985 5.161 1.00 0.00 C ATOM 1386 C SER A 138 43.558 4.261 5.626 1.00 0.00 C ATOM 1387 O SER A 138 43.007 5.335 5.385 1.00 0.00 O ATOM 1388 CB SER A 138 44.985 2.882 4.098 1.00 0.00 C ATOM 1389 OG SER A 138 45.552 3.344 2.884 1.00 0.00 O ATOM 0 H SER A 138 46.318 2.709 6.156 1.00 0.00 H new ATOM 0 HA SER A 138 45.389 4.901 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 138 45.547 2.022 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 138 43.964 2.543 3.921 1.00 0.00 H new ATOM 0 HG SER A 138 44.882 3.855 2.384 1.00 0.00 H new ATOM 1395 N PHE A 139 42.969 3.275 6.291 1.00 0.00 N ATOM 1396 CA PHE A 139 41.606 3.387 6.795 1.00 0.00 C ATOM 1397 C PHE A 139 41.504 4.413 7.921 1.00 0.00 C ATOM 1398 O PHE A 139 40.419 4.912 8.219 1.00 0.00 O ATOM 1399 CB PHE A 139 41.122 2.022 7.284 1.00 0.00 C ATOM 1400 CG PHE A 139 40.596 1.152 6.178 1.00 0.00 C ATOM 1401 CD1 PHE A 139 41.397 0.837 5.090 1.00 0.00 C ATOM 1402 CD2 PHE A 139 39.304 0.655 6.221 1.00 0.00 C ATOM 1403 CE1 PHE A 139 40.916 0.042 4.067 1.00 0.00 C ATOM 1404 CE2 PHE A 139 38.819 -0.141 5.200 1.00 0.00 C ATOM 1405 CZ PHE A 139 39.625 -0.447 4.122 1.00 0.00 C ATOM 0 H PHE A 139 43.418 2.382 6.495 1.00 0.00 H new ATOM 0 HA PHE A 139 40.972 3.729 5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 139 41.945 1.509 7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 139 40.339 2.166 8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 139 42.407 1.217 5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 139 38.668 0.892 7.061 1.00 0.00 H new ATOM 0 HE1 PHE A 139 41.549 -0.197 3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 139 37.810 -0.523 5.246 1.00 0.00 H new ATOM 0 HZ PHE A 139 39.247 -1.068 3.323 1.00 0.00 H new ATOM 1415 N ALA A 140 42.635 4.728 8.543 1.00 0.00 N ATOM 1416 CA ALA A 140 42.659 5.695 9.634 1.00 0.00 C ATOM 1417 C ALA A 140 42.827 7.120 9.112 1.00 0.00 C ATOM 1418 O ALA A 140 42.544 8.086 9.820 1.00 0.00 O ATOM 1419 CB ALA A 140 43.772 5.355 10.614 1.00 0.00 C ATOM 0 H ALA A 140 43.545 4.329 8.311 1.00 0.00 H new ATOM 0 HA ALA A 140 41.701 5.641 10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 140 43.779 6.085 11.424 1.00 0.00 H new ATOM 0 HB2 ALA A 140 43.604 4.359 11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 140 44.731 5.377 10.097 1.00 0.00 H new ATOM 1425 N LEU A 141 43.294 7.244 7.873 1.00 0.00 N ATOM 1426 CA LEU A 141 43.503 8.552 7.263 1.00 0.00 C ATOM 1427 C LEU A 141 42.248 9.034 6.545 1.00 0.00 C ATOM 1428 O LEU A 141 41.392 8.237 6.161 1.00 0.00 O ATOM 1429 CB LEU A 141 44.675 8.488 6.282 1.00 0.00 C ATOM 1430 CG LEU A 141 46.049 8.823 6.872 1.00 0.00 C ATOM 1431 CD1 LEU A 141 46.164 8.341 8.312 1.00 0.00 C ATOM 1432 CD2 LEU A 141 47.148 8.213 6.018 1.00 0.00 C ATOM 0 H LEU A 141 43.534 6.455 7.273 1.00 0.00 H new ATOM 0 HA LEU A 141 43.732 9.263 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 141 44.716 7.485 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 141 44.475 9.174 5.459 1.00 0.00 H new ATOM 0 HG LEU A 141 46.162 9.907 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 141 47.150 8.593 8.703 1.00 0.00 H new ATOM 0 HD12 LEU A 141 45.399 8.824 8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 141 46.026 7.260 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 141 48.120 8.457 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 141 47.027 7.130 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 141 47.087 8.613 5.006 1.00 0.00 H new ATOM 1444 N ARG A 142 42.150 10.347 6.364 1.00 0.00 N ATOM 1445 CA ARG A 142 41.004 10.944 5.688 1.00 0.00 C ATOM 1446 C ARG A 142 41.334 11.245 4.228 1.00 0.00 C ATOM 1447 O ARG A 142 42.457 11.019 3.777 1.00 0.00 O ATOM 1448 CB ARG A 142 40.576 12.228 6.403 1.00 0.00 C ATOM 1449 CG ARG A 142 39.217 12.127 7.076 1.00 0.00 C ATOM 1450 CD ARG A 142 38.450 13.435 6.984 1.00 0.00 C ATOM 1451 NE ARG A 142 38.231 13.843 5.597 1.00 0.00 N ATOM 1452 CZ ARG A 142 37.967 15.093 5.225 1.00 0.00 C ATOM 1453 NH1 ARG A 142 37.883 16.061 6.130 1.00 0.00 N ATOM 1454 NH2 ARG A 142 37.785 15.377 3.942 1.00 0.00 N ATOM 0 H ARG A 142 42.851 11.019 6.676 1.00 0.00 H new ATOM 0 HA ARG A 142 40.181 10.230 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 142 41.325 12.483 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 142 40.555 13.045 5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 142 38.637 11.331 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 142 39.348 11.854 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 142 37.489 13.328 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 142 39.000 14.216 7.510 1.00 0.00 H new ATOM 0 HE ARG A 142 38.284 13.127 4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 142 38.021 15.849 7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 142 37.680 17.017 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 142 37.847 14.638 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 142 37.583 16.335 3.655 1.00 0.00 H new ATOM 1468 N THR A 143 40.351 11.758 3.495 1.00 0.00 N ATOM 1469 CA THR A 143 40.540 12.092 2.088 1.00 0.00 C ATOM 1470 C THR A 143 41.630 13.147 1.922 1.00 0.00 C ATOM 1471 O THR A 143 41.463 14.295 2.334 1.00 0.00 O ATOM 1472 CB THR A 143 39.229 12.593 1.479 1.00 0.00 C ATOM 1473 OG1 THR A 143 38.169 11.696 1.759 1.00 0.00 O ATOM 1474 CG2 THR A 143 39.295 12.769 -0.023 1.00 0.00 C ATOM 0 H THR A 143 39.415 11.951 3.852 1.00 0.00 H new ATOM 0 HA THR A 143 40.851 11.188 1.564 1.00 0.00 H new ATOM 0 HB THR A 143 39.053 13.567 1.936 1.00 0.00 H new ATOM 0 HG1 THR A 143 37.340 12.036 1.362 1.00 0.00 H new ATOM 0 HG21 THR A 143 38.333 13.126 -0.390 1.00 0.00 H new ATOM 0 HG22 THR A 143 40.070 13.494 -0.271 1.00 0.00 H new ATOM 0 HG23 THR A 143 39.530 11.813 -0.491 1.00 0.00 H new ATOM 1482 N GLY A 144 42.745 12.750 1.319 1.00 0.00 N ATOM 1483 CA GLY A 144 43.844 13.676 1.111 1.00 0.00 C ATOM 1484 C GLY A 144 44.825 13.684 2.266 1.00 0.00 C ATOM 1485 O GLY A 144 45.556 14.655 2.463 1.00 0.00 O ATOM 0 H GLY A 144 42.908 11.805 0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 144 44.370 13.410 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 144 43.446 14.681 0.970 1.00 0.00 H new ATOM 1489 N GLU A 145 44.844 12.599 3.034 1.00 0.00 N ATOM 1490 CA GLU A 145 45.744 12.482 4.176 1.00 0.00 C ATOM 1491 C GLU A 145 46.908 11.551 3.852 1.00 0.00 C ATOM 1492 O GLU A 145 46.798 10.690 2.980 1.00 0.00 O ATOM 1493 CB GLU A 145 44.981 11.973 5.401 1.00 0.00 C ATOM 1494 CG GLU A 145 45.205 12.811 6.647 1.00 0.00 C ATOM 1495 CD GLU A 145 44.435 14.118 6.619 1.00 0.00 C ATOM 1496 OE1 GLU A 145 44.666 14.921 5.690 1.00 0.00 O ATOM 1497 OE2 GLU A 145 43.604 14.337 7.524 1.00 0.00 O ATOM 0 H GLU A 145 44.245 11.787 2.886 1.00 0.00 H new ATOM 0 HA GLU A 145 46.147 13.470 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 145 43.915 11.954 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 145 45.282 10.945 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 145 44.907 12.237 7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 145 46.269 13.023 6.751 1.00 0.00 H new ATOM 1504 N MET A 146 48.022 11.731 4.557 1.00 0.00 N ATOM 1505 CA MET A 146 49.207 10.908 4.337 1.00 0.00 C ATOM 1506 C MET A 146 49.604 10.151 5.600 1.00 0.00 C ATOM 1507 O MET A 146 49.554 10.693 6.703 1.00 0.00 O ATOM 1508 CB MET A 146 50.374 11.778 3.867 1.00 0.00 C ATOM 1509 CG MET A 146 51.248 11.113 2.818 1.00 0.00 C ATOM 1510 SD MET A 146 52.117 12.309 1.787 1.00 0.00 S ATOM 1511 CE MET A 146 53.645 11.431 1.461 1.00 0.00 C ATOM 0 H MET A 146 48.128 12.438 5.284 1.00 0.00 H new ATOM 0 HA MET A 146 48.964 10.177 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 146 49.980 12.710 3.461 1.00 0.00 H new ATOM 0 HB3 MET A 146 50.990 12.040 4.727 1.00 0.00 H new ATOM 0 HG2 MET A 146 51.974 10.467 3.311 1.00 0.00 H new ATOM 0 HG3 MET A 146 50.630 10.474 2.187 1.00 0.00 H new ATOM 0 HE1 MET A 146 54.423 12.144 1.188 1.00 0.00 H new ATOM 0 HE2 MET A 146 53.949 10.886 2.355 1.00 0.00 H new ATOM 0 HE3 MET A 146 53.493 10.728 0.642 1.00 0.00 H new ATOM 1521 N SER A 147 49.999 8.894 5.423 1.00 0.00 N ATOM 1522 CA SER A 147 50.408 8.054 6.540 1.00 0.00 C ATOM 1523 C SER A 147 51.907 8.173 6.795 1.00 0.00 C ATOM 1524 O SER A 147 52.703 8.226 5.858 1.00 0.00 O ATOM 1525 CB SER A 147 50.035 6.594 6.264 1.00 0.00 C ATOM 1526 OG SER A 147 51.105 5.895 5.650 1.00 0.00 O ATOM 0 H SER A 147 50.044 8.435 4.513 1.00 0.00 H new ATOM 0 HA SER A 147 49.883 8.395 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 147 49.766 6.102 7.199 1.00 0.00 H new ATOM 0 HB3 SER A 147 49.156 6.557 5.620 1.00 0.00 H new ATOM 0 HG SER A 147 51.500 5.270 6.294 1.00 0.00 H new ATOM 1532 N GLY A 148 52.285 8.207 8.068 1.00 0.00 N ATOM 1533 CA GLY A 148 53.690 8.312 8.418 1.00 0.00 C ATOM 1534 C GLY A 148 54.487 7.107 7.953 1.00 0.00 C ATOM 1535 O GLY A 148 53.918 6.157 7.414 1.00 0.00 O ATOM 0 H GLY A 148 51.646 8.164 8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 148 54.107 9.215 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 148 53.787 8.415 9.499 1.00 0.00 H new ATOM 1539 N PRO A 149 55.816 7.113 8.149 1.00 0.00 N ATOM 1540 CA PRO A 149 56.676 5.999 7.737 1.00 0.00 C ATOM 1541 C PRO A 149 56.193 4.665 8.295 1.00 0.00 C ATOM 1542 O PRO A 149 56.146 4.469 9.509 1.00 0.00 O ATOM 1543 CB PRO A 149 58.042 6.361 8.326 1.00 0.00 C ATOM 1544 CG PRO A 149 58.010 7.844 8.476 1.00 0.00 C ATOM 1545 CD PRO A 149 56.583 8.200 8.785 1.00 0.00 C ATOM 0 HA PRO A 149 56.688 5.872 6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 149 58.202 5.870 9.286 1.00 0.00 H new ATOM 0 HB3 PRO A 149 58.852 6.047 7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 149 58.675 8.169 9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 149 58.346 8.336 7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 149 56.403 8.244 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 149 56.314 9.174 8.377 1.00 0.00 H new ATOM 1553 N VAL A 150 55.834 3.749 7.401 1.00 0.00 N ATOM 1554 CA VAL A 150 55.353 2.435 7.807 1.00 0.00 C ATOM 1555 C VAL A 150 56.401 1.363 7.533 1.00 0.00 C ATOM 1556 O VAL A 150 56.694 1.047 6.380 1.00 0.00 O ATOM 1557 CB VAL A 150 54.050 2.058 7.078 1.00 0.00 C ATOM 1558 CG1 VAL A 150 53.431 0.814 7.696 1.00 0.00 C ATOM 1559 CG2 VAL A 150 53.068 3.221 7.104 1.00 0.00 C ATOM 0 H VAL A 150 55.867 3.893 6.392 1.00 0.00 H new ATOM 0 HA VAL A 150 55.156 2.488 8.878 1.00 0.00 H new ATOM 0 HB VAL A 150 54.289 1.837 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 150 52.511 0.564 7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 150 54.131 -0.018 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 150 53.206 1.003 8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 150 52.153 2.936 6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 150 52.834 3.476 8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 150 53.513 4.084 6.609 1.00 0.00 H new ATOM 1569 N PHE A 151 56.962 0.811 8.602 1.00 0.00 N ATOM 1570 CA PHE A 151 57.983 -0.222 8.482 1.00 0.00 C ATOM 1571 C PHE A 151 57.356 -1.610 8.416 1.00 0.00 C ATOM 1572 O PHE A 151 56.783 -2.092 9.393 1.00 0.00 O ATOM 1573 CB PHE A 151 58.951 -0.140 9.661 1.00 0.00 C ATOM 1574 CG PHE A 151 59.691 1.165 9.730 1.00 0.00 C ATOM 1575 CD1 PHE A 151 59.061 2.309 10.191 1.00 0.00 C ATOM 1576 CD2 PHE A 151 61.014 1.245 9.331 1.00 0.00 C ATOM 1577 CE1 PHE A 151 59.741 3.511 10.255 1.00 0.00 C ATOM 1578 CE2 PHE A 151 61.698 2.443 9.391 1.00 0.00 C ATOM 1579 CZ PHE A 151 61.062 3.578 9.854 1.00 0.00 C ATOM 0 H PHE A 151 56.727 1.062 9.562 1.00 0.00 H new ATOM 0 HA PHE A 151 58.530 -0.053 7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 151 58.397 -0.285 10.588 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.671 -0.955 9.589 1.00 0.00 H new ATOM 0 HD1 PHE A 151 58.028 2.262 10.504 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.517 0.361 8.969 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.241 4.397 10.618 1.00 0.00 H new ATOM 0 HE2 PHE A 151 62.730 2.492 9.076 1.00 0.00 H new ATOM 0 HZ PHE A 151 61.596 4.516 9.903 1.00 0.00 H new ATOM 1589 N THR A 152 57.477 -2.250 7.258 1.00 0.00 N ATOM 1590 CA THR A 152 56.930 -3.586 7.057 1.00 0.00 C ATOM 1591 C THR A 152 57.983 -4.507 6.449 1.00 0.00 C ATOM 1592 O THR A 152 58.990 -4.037 5.918 1.00 0.00 O ATOM 1593 CB THR A 152 55.699 -3.527 6.152 1.00 0.00 C ATOM 1594 OG1 THR A 152 56.069 -3.223 4.819 1.00 0.00 O ATOM 1595 CG2 THR A 152 54.683 -2.495 6.593 1.00 0.00 C ATOM 0 H THR A 152 57.951 -1.863 6.442 1.00 0.00 H new ATOM 0 HA THR A 152 56.634 -3.986 8.027 1.00 0.00 H new ATOM 0 HB THR A 152 55.244 -4.515 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 152 55.267 -3.191 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 152 53.835 -2.504 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 152 54.339 -2.730 7.600 1.00 0.00 H new ATOM 0 HG23 THR A 152 55.143 -1.507 6.588 1.00 0.00 H new ATOM 1603 N ASP A 153 57.740 -5.817 6.540 1.00 0.00 N ATOM 1604 CA ASP A 153 58.657 -6.835 6.011 1.00 0.00 C ATOM 1605 C ASP A 153 59.539 -6.287 4.892 1.00 0.00 C ATOM 1606 O ASP A 153 60.764 -6.405 4.936 1.00 0.00 O ATOM 1607 CB ASP A 153 57.865 -8.038 5.500 1.00 0.00 C ATOM 1608 CG ASP A 153 56.734 -7.638 4.573 1.00 0.00 C ATOM 1609 OD1 ASP A 153 55.636 -7.327 5.077 1.00 0.00 O ATOM 1610 OD2 ASP A 153 56.948 -7.636 3.342 1.00 0.00 O ATOM 0 H ASP A 153 56.905 -6.203 6.981 1.00 0.00 H new ATOM 0 HA ASP A 153 59.310 -7.141 6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 153 58.538 -8.716 4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 153 57.458 -8.588 6.349 1.00 0.00 H new ATOM 1615 N SER A 154 58.906 -5.683 3.897 1.00 0.00 N ATOM 1616 CA SER A 154 59.626 -5.112 2.767 1.00 0.00 C ATOM 1617 C SER A 154 60.521 -3.961 3.219 1.00 0.00 C ATOM 1618 O SER A 154 61.741 -4.016 3.072 1.00 0.00 O ATOM 1619 CB SER A 154 58.643 -4.623 1.702 1.00 0.00 C ATOM 1620 OG SER A 154 58.034 -5.713 1.031 1.00 0.00 O ATOM 0 H SER A 154 57.893 -5.575 3.849 1.00 0.00 H new ATOM 0 HA SER A 154 60.256 -5.891 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 154 57.876 -4.004 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 154 59.166 -3.994 0.981 1.00 0.00 H new ATOM 0 HG SER A 154 57.665 -6.338 1.690 1.00 0.00 H new ATOM 1626 N GLY A 155 59.907 -2.920 3.772 1.00 0.00 N ATOM 1627 CA GLY A 155 60.668 -1.772 4.234 1.00 0.00 C ATOM 1628 C GLY A 155 59.779 -0.649 4.729 1.00 0.00 C ATOM 1629 O GLY A 155 58.866 -0.876 5.521 1.00 0.00 O ATOM 0 H GLY A 155 58.899 -2.850 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 155 61.337 -2.082 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 155 61.294 -1.404 3.421 1.00 0.00 H new ATOM 1633 N ILE A 156 60.043 0.570 4.262 1.00 0.00 N ATOM 1634 CA ILE A 156 59.255 1.726 4.668 1.00 0.00 C ATOM 1635 C ILE A 156 58.225 2.086 3.601 1.00 0.00 C ATOM 1636 O ILE A 156 58.558 2.205 2.422 1.00 0.00 O ATOM 1637 CB ILE A 156 60.148 2.951 4.939 1.00 0.00 C ATOM 1638 CG1 ILE A 156 61.324 2.567 5.845 1.00 0.00 C ATOM 1639 CG2 ILE A 156 59.334 4.073 5.569 1.00 0.00 C ATOM 1640 CD1 ILE A 156 62.643 3.159 5.399 1.00 0.00 C ATOM 0 H ILE A 156 60.794 0.780 3.605 1.00 0.00 H new ATOM 0 HA ILE A 156 58.742 1.453 5.590 1.00 0.00 H new ATOM 0 HB ILE A 156 60.547 3.305 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 156 61.112 2.896 6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 156 61.412 1.481 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 156 59.980 4.931 5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 156 58.530 4.363 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 156 58.909 3.729 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 156 63.432 2.848 6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 156 62.877 2.810 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 156 62.572 4.247 5.398 1.00 0.00 H new ATOM 1652 N HIS A 157 56.973 2.255 4.017 1.00 0.00 N ATOM 1653 CA HIS A 157 55.902 2.596 3.085 1.00 0.00 C ATOM 1654 C HIS A 157 55.075 3.779 3.573 1.00 0.00 C ATOM 1655 O HIS A 157 54.816 3.931 4.767 1.00 0.00 O ATOM 1656 CB HIS A 157 54.954 1.418 2.883 1.00 0.00 C ATOM 1657 CG HIS A 157 55.548 0.258 2.148 1.00 0.00 C ATOM 1658 ND1 HIS A 157 55.014 -0.234 0.977 1.00 0.00 N ATOM 1659 CD2 HIS A 157 56.612 -0.526 2.434 1.00 0.00 C ATOM 1660 CE1 HIS A 157 55.723 -1.273 0.574 1.00 0.00 C ATOM 1661 NE2 HIS A 157 56.699 -1.472 1.442 1.00 0.00 N ATOM 0 H HIS A 157 56.676 2.162 4.988 1.00 0.00 H new ATOM 0 HA HIS A 157 56.391 2.857 2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 157 54.609 1.075 3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 157 54.076 1.765 2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 157 57.271 -0.427 3.284 1.00 0.00 H new ATOM 0 HE1 HIS A 157 55.537 -1.860 -0.313 1.00 0.00 H new ATOM 0 HE2 HIS A 157 57.403 -2.208 1.385 1.00 0.00 H new ATOM 1670 N ILE A 158 54.628 4.583 2.620 1.00 0.00 N ATOM 1671 CA ILE A 158 53.781 5.732 2.898 1.00 0.00 C ATOM 1672 C ILE A 158 52.461 5.570 2.154 1.00 0.00 C ATOM 1673 O ILE A 158 52.440 5.058 1.039 1.00 0.00 O ATOM 1674 CB ILE A 158 54.462 7.054 2.484 1.00 0.00 C ATOM 1675 CG1 ILE A 158 55.407 7.504 3.591 1.00 0.00 C ATOM 1676 CG2 ILE A 158 53.430 8.134 2.188 1.00 0.00 C ATOM 1677 CD1 ILE A 158 56.012 8.876 3.365 1.00 0.00 C ATOM 0 H ILE A 158 54.843 4.457 1.631 1.00 0.00 H new ATOM 0 HA ILE A 158 53.603 5.777 3.972 1.00 0.00 H new ATOM 0 HB ILE A 158 55.031 6.885 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 158 54.866 7.508 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 158 56.211 6.775 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 158 53.939 9.054 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 158 52.783 7.806 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 158 52.829 8.316 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 158 56.672 9.124 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 158 56.583 8.874 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 158 55.216 9.618 3.300 1.00 0.00 H new ATOM 1689 N ILE A 159 51.361 5.990 2.769 1.00 0.00 N ATOM 1690 CA ILE A 159 50.055 5.856 2.133 1.00 0.00 C ATOM 1691 C ILE A 159 49.287 7.173 2.105 1.00 0.00 C ATOM 1692 O ILE A 159 49.375 7.982 3.029 1.00 0.00 O ATOM 1693 CB ILE A 159 49.201 4.789 2.844 1.00 0.00 C ATOM 1694 CG1 ILE A 159 49.982 3.476 2.955 1.00 0.00 C ATOM 1695 CG2 ILE A 159 47.891 4.571 2.100 1.00 0.00 C ATOM 1696 CD1 ILE A 159 50.383 3.130 4.372 1.00 0.00 C ATOM 0 H ILE A 159 51.346 6.420 3.694 1.00 0.00 H new ATOM 0 HA ILE A 159 50.245 5.548 1.105 1.00 0.00 H new ATOM 0 HB ILE A 159 48.968 5.141 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 159 49.375 2.666 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 159 50.878 3.542 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 159 47.301 3.814 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 159 47.332 5.506 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 159 48.101 4.236 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 159 50.932 2.188 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 159 51.016 3.921 4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 159 49.490 3.031 4.989 1.00 0.00 H new ATOM 1708 N LEU A 160 48.522 7.367 1.033 1.00 0.00 N ATOM 1709 CA LEU A 160 47.716 8.568 0.861 1.00 0.00 C ATOM 1710 C LEU A 160 46.295 8.188 0.450 1.00 0.00 C ATOM 1711 O LEU A 160 46.080 7.635 -0.629 1.00 0.00 O ATOM 1712 CB LEU A 160 48.348 9.486 -0.192 1.00 0.00 C ATOM 1713 CG LEU A 160 47.444 10.610 -0.709 1.00 0.00 C ATOM 1714 CD1 LEU A 160 48.194 11.934 -0.740 1.00 0.00 C ATOM 1715 CD2 LEU A 160 46.908 10.267 -2.091 1.00 0.00 C ATOM 0 H LEU A 160 48.445 6.700 0.265 1.00 0.00 H new ATOM 0 HA LEU A 160 47.676 9.105 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 160 49.248 9.932 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 160 48.663 8.877 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 160 46.601 10.713 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 160 47.533 12.718 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 160 48.528 12.186 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 160 49.058 11.847 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 160 46.268 11.075 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 160 47.741 10.136 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 160 46.331 9.344 -2.039 1.00 0.00 H new ATOM 1727 N ARG A 161 45.329 8.475 1.317 1.00 0.00 N ATOM 1728 CA ARG A 161 43.934 8.148 1.039 1.00 0.00 C ATOM 1729 C ARG A 161 43.359 9.039 -0.057 1.00 0.00 C ATOM 1730 O ARG A 161 43.388 10.265 0.047 1.00 0.00 O ATOM 1731 CB ARG A 161 43.090 8.273 2.308 1.00 0.00 C ATOM 1732 CG ARG A 161 41.923 7.299 2.355 1.00 0.00 C ATOM 1733 CD ARG A 161 40.592 8.022 2.488 1.00 0.00 C ATOM 1734 NE ARG A 161 40.185 8.163 3.886 1.00 0.00 N ATOM 1735 CZ ARG A 161 38.929 8.048 4.315 1.00 0.00 C ATOM 1736 NH1 ARG A 161 37.942 7.802 3.463 1.00 0.00 N ATOM 1737 NH2 ARG A 161 38.660 8.184 5.607 1.00 0.00 N ATOM 0 H ARG A 161 45.485 8.932 2.215 1.00 0.00 H new ATOM 0 HA ARG A 161 43.903 7.116 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 161 43.727 8.108 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 161 42.707 9.291 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 161 41.919 6.692 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 161 42.052 6.617 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 161 40.667 9.009 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 161 39.825 7.474 1.940 1.00 0.00 H new ATOM 0 HE ARG A 161 40.909 8.362 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 161 38.141 7.699 2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.984 7.716 3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 161 39.413 8.376 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.700 8.097 5.940 1.00 0.00 H new ATOM 1751 N THR A 162 42.827 8.412 -1.103 1.00 0.00 N ATOM 1752 CA THR A 162 42.235 9.145 -2.214 1.00 0.00 C ATOM 1753 C THR A 162 40.716 9.189 -2.082 1.00 0.00 C ATOM 1754 O THR A 162 40.132 10.248 -1.856 1.00 0.00 O ATOM 1755 CB THR A 162 42.629 8.501 -3.546 1.00 0.00 C ATOM 1756 OG1 THR A 162 44.035 8.524 -3.717 1.00 0.00 O ATOM 1757 CG2 THR A 162 42.010 9.179 -4.748 1.00 0.00 C ATOM 0 H THR A 162 42.795 7.397 -1.203 1.00 0.00 H new ATOM 0 HA THR A 162 42.614 10.167 -2.190 1.00 0.00 H new ATOM 0 HB THR A 162 42.253 7.479 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 162 44.267 8.107 -4.573 1.00 0.00 H new ATOM 0 HG21 THR A 162 42.331 8.672 -5.658 1.00 0.00 H new ATOM 0 HG22 THR A 162 40.924 9.134 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 162 42.328 10.221 -4.782 1.00 0.00 H new ATOM 1765 N GLU A 163 40.085 8.027 -2.224 1.00 0.00 N ATOM 1766 CA GLU A 163 38.631 7.920 -2.121 1.00 0.00 C ATOM 1767 C GLU A 163 38.162 6.528 -2.532 1.00 0.00 C ATOM 1768 O GLU A 163 37.861 6.334 -3.729 1.00 0.00 O ATOM 1769 CB GLU A 163 37.951 8.980 -2.994 1.00 0.00 C ATOM 1770 CG GLU A 163 37.293 10.093 -2.197 1.00 0.00 C ATOM 1771 CD GLU A 163 35.873 9.754 -1.785 1.00 0.00 C ATOM 1772 OE1 GLU A 163 34.958 9.921 -2.617 1.00 0.00 O ATOM 1773 OE2 GLU A 163 35.678 9.322 -0.630 1.00 0.00 O ATOM 1774 OXT GLU A 163 38.098 5.643 -1.654 1.00 0.00 O ATOM 0 H GLU A 163 40.558 7.143 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 163 38.352 8.089 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 163 38.691 9.414 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 163 37.199 8.497 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 163 37.887 10.297 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 163 37.287 11.006 -2.792 1.00 0.00 H new TER 1781 GLU A 163 HETATM 1782 S SO4 A 200 59.696 -9.211 0.462 1.00 0.00 S HETATM 1783 O1 SO4 A 200 59.436 -9.560 -0.948 1.00 0.00 O HETATM 1784 O2 SO4 A 200 58.414 -9.027 1.168 1.00 0.00 O HETATM 1785 O3 SO4 A 200 60.475 -7.961 0.525 1.00 0.00 O HETATM 1786 O4 SO4 A 200 60.459 -10.298 1.104 1.00 0.00 O