USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 191 THR OG1 : rot 180:sc= 0.00569 USER MOD Set 1.2: A 218 SER OG : rot -14:sc= 0.00706 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 167 MET CE :methyl -128:sc= 0 (180deg=-2.11!) USER MOD Single : A 173 TYR OH : rot 180:sc= -1.37 USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN : amide:sc= -4! C(o=-4!,f=-5.7!) USER MOD Single : A 184 TYR OH : rot 30:sc= -1.81 USER MOD Single : A 188 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 193 GLN : amide:sc= -1.45 K(o=-1.4,f=-0.19) USER MOD Single : A 196 HIS : no HD1:sc= -2.05! C(o=-2.1!,f=-2.9!) USER MOD Single : A 202 MET CE :methyl -160:sc= -5.99! (180deg=-6.74!) USER MOD Single : A 203 LYS NZ :NH3+ 169:sc= -0.0103 (180deg=-0.132) USER MOD Single : A 206 SER OG : rot 54:sc= -0.369 USER MOD Single : A 207 MET CE :methyl 162:sc= -5.04! (180deg=-6.17!) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 213 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 THR OG1 : rot -160:sc= -0.0302 USER MOD Single : A 216 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.4) USER MOD Single : A 223 CYS SG : rot -30:sc= -0.367 USER MOD Single : A 224 SER OG : rot 83:sc= 1.26 USER MOD Single : A 226 ASN : amide:sc= 1.23 K(o=1.2,f=-3) USER MOD Single : A 227 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.16) USER MOD Single : A 232 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.059) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HE2:sc= -4.11! C(o=-4.1!,f=-6.9!) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 SER OG : rot 45:sc= 0.738 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 164 -7.145 -5.901 -15.766 1.00 5.98 N ATOM 2 CA GLY A 164 -8.249 -6.370 -14.897 1.00 5.08 C ATOM 3 C GLY A 164 -8.100 -5.858 -13.484 1.00 4.07 C ATOM 4 O GLY A 164 -7.355 -4.909 -13.243 1.00 4.09 O ATOM 0 HA2 GLY A 164 -9.202 -6.036 -15.307 1.00 5.08 H new ATOM 0 HA3 GLY A 164 -8.269 -7.460 -14.890 1.00 5.08 H new ATOM 10 N SER A 165 -8.797 -6.482 -12.551 1.00 3.59 N ATOM 11 CA SER A 165 -8.731 -6.081 -11.160 1.00 3.14 C ATOM 12 C SER A 165 -8.977 -7.282 -10.258 1.00 2.20 C ATOM 13 O SER A 165 -10.050 -7.888 -10.292 1.00 2.60 O ATOM 14 CB SER A 165 -9.771 -4.991 -10.880 1.00 3.93 C ATOM 15 OG SER A 165 -9.682 -4.525 -9.544 1.00 4.65 O ATOM 0 H SER A 165 -9.417 -7.271 -12.734 1.00 3.59 H new ATOM 0 HA SER A 165 -7.737 -5.683 -10.953 1.00 3.14 H new ATOM 0 HB2 SER A 165 -9.623 -4.159 -11.568 1.00 3.93 H new ATOM 0 HB3 SER A 165 -10.771 -5.383 -11.065 1.00 3.93 H new ATOM 0 HG SER A 165 -10.356 -3.829 -9.395 1.00 4.65 H new ATOM 21 N HIS A 166 -7.958 -7.639 -9.478 1.00 1.55 N ATOM 22 CA HIS A 166 -8.086 -8.691 -8.473 1.00 0.98 C ATOM 23 C HIS A 166 -9.196 -8.352 -7.485 1.00 0.85 C ATOM 24 O HIS A 166 -9.934 -9.236 -7.049 1.00 1.45 O ATOM 25 CB HIS A 166 -6.755 -8.914 -7.731 1.00 1.69 C ATOM 26 CG HIS A 166 -6.085 -7.655 -7.254 1.00 2.07 C ATOM 27 ND1 HIS A 166 -6.463 -7.025 -6.091 1.00 2.94 N ATOM 28 CD2 HIS A 166 -5.069 -6.962 -7.820 1.00 2.43 C ATOM 29 CE1 HIS A 166 -5.671 -5.971 -5.979 1.00 3.54 C ATOM 30 NE2 HIS A 166 -4.812 -5.892 -7.003 1.00 3.27 N ATOM 0 H HIS A 166 -7.032 -7.213 -9.524 1.00 1.55 H new ATOM 0 HA HIS A 166 -8.346 -9.617 -8.986 1.00 0.98 H new ATOM 0 HB2 HIS A 166 -6.937 -9.561 -6.873 1.00 1.69 H new ATOM 0 HB3 HIS A 166 -6.071 -9.446 -8.392 1.00 1.69 H new ATOM 0 HD2 HIS A 166 -4.558 -7.206 -8.740 1.00 2.43 H new ATOM 0 HE1 HIS A 166 -5.712 -5.263 -5.164 1.00 3.54 H new ATOM 0 HE2 HIS A 166 -4.103 -5.173 -7.147 1.00 3.27 H new ATOM 38 N MET A 167 -9.282 -7.065 -7.133 1.00 0.64 N ATOM 39 CA MET A 167 -10.374 -6.507 -6.324 1.00 0.52 C ATOM 40 C MET A 167 -10.334 -6.967 -4.861 1.00 0.40 C ATOM 41 O MET A 167 -10.686 -6.200 -3.966 1.00 0.39 O ATOM 42 CB MET A 167 -11.737 -6.836 -6.947 1.00 0.71 C ATOM 43 CG MET A 167 -12.907 -6.167 -6.243 1.00 0.99 C ATOM 44 SD MET A 167 -12.770 -4.369 -6.238 1.00 0.96 S ATOM 45 CE MET A 167 -14.222 -3.921 -5.290 1.00 1.20 C ATOM 0 H MET A 167 -8.586 -6.371 -7.405 1.00 0.64 H new ATOM 0 HA MET A 167 -10.230 -5.427 -6.320 1.00 0.52 H new ATOM 0 HB2 MET A 167 -11.732 -6.531 -7.994 1.00 0.71 H new ATOM 0 HB3 MET A 167 -11.883 -7.916 -6.930 1.00 0.71 H new ATOM 0 HG2 MET A 167 -13.836 -6.456 -6.734 1.00 0.99 H new ATOM 0 HG3 MET A 167 -12.963 -6.527 -5.216 1.00 0.99 H new ATOM 0 HE1 MET A 167 -14.804 -3.183 -5.842 1.00 1.20 H new ATOM 0 HE2 MET A 167 -14.831 -4.808 -5.117 1.00 1.20 H new ATOM 0 HE3 MET A 167 -13.916 -3.499 -4.333 1.00 1.20 H new ATOM 55 N ALA A 168 -9.901 -8.203 -4.629 1.00 0.41 N ATOM 56 CA ALA A 168 -9.859 -8.787 -3.289 1.00 0.40 C ATOM 57 C ALA A 168 -9.125 -7.886 -2.305 1.00 0.31 C ATOM 58 O ALA A 168 -9.614 -7.618 -1.206 1.00 0.35 O ATOM 59 CB ALA A 168 -9.200 -10.157 -3.340 1.00 0.53 C ATOM 0 H ALA A 168 -9.569 -8.829 -5.363 1.00 0.41 H new ATOM 0 HA ALA A 168 -10.885 -8.892 -2.937 1.00 0.40 H new ATOM 0 HB1 ALA A 168 -9.173 -10.585 -2.338 1.00 0.53 H new ATOM 0 HB2 ALA A 168 -9.771 -10.811 -3.999 1.00 0.53 H new ATOM 0 HB3 ALA A 168 -8.183 -10.058 -3.720 1.00 0.53 H new ATOM 65 N ALA A 169 -7.957 -7.410 -2.709 1.00 0.28 N ATOM 66 CA ALA A 169 -7.166 -6.529 -1.869 1.00 0.24 C ATOM 67 C ALA A 169 -7.838 -5.172 -1.713 1.00 0.20 C ATOM 68 O ALA A 169 -7.762 -4.550 -0.653 1.00 0.19 O ATOM 69 CB ALA A 169 -5.773 -6.365 -2.451 1.00 0.31 C ATOM 0 H ALA A 169 -7.537 -7.620 -3.614 1.00 0.28 H new ATOM 0 HA ALA A 169 -7.087 -6.981 -0.880 1.00 0.24 H new ATOM 0 HB1 ALA A 169 -5.188 -5.702 -1.813 1.00 0.31 H new ATOM 0 HB2 ALA A 169 -5.285 -7.338 -2.507 1.00 0.31 H new ATOM 0 HB3 ALA A 169 -5.844 -5.937 -3.451 1.00 0.31 H new ATOM 75 N LEU A 170 -8.518 -4.721 -2.763 1.00 0.21 N ATOM 76 CA LEU A 170 -9.114 -3.394 -2.760 1.00 0.19 C ATOM 77 C LEU A 170 -10.322 -3.334 -1.843 1.00 0.16 C ATOM 78 O LEU A 170 -10.370 -2.504 -0.941 1.00 0.17 O ATOM 79 CB LEU A 170 -9.526 -2.959 -4.164 1.00 0.23 C ATOM 80 CG LEU A 170 -9.942 -1.491 -4.254 1.00 0.26 C ATOM 81 CD1 LEU A 170 -8.717 -0.596 -4.251 1.00 0.29 C ATOM 82 CD2 LEU A 170 -10.798 -1.238 -5.479 1.00 0.29 C ATOM 0 H LEU A 170 -8.668 -5.253 -3.620 1.00 0.21 H new ATOM 0 HA LEU A 170 -8.350 -2.710 -2.390 1.00 0.19 H new ATOM 0 HB2 LEU A 170 -8.696 -3.135 -4.848 1.00 0.23 H new ATOM 0 HB3 LEU A 170 -10.354 -3.583 -4.500 1.00 0.23 H new ATOM 0 HG LEU A 170 -10.545 -1.252 -3.378 1.00 0.26 H new ATOM 0 HD11 LEU A 170 -9.028 0.447 -4.316 1.00 0.29 H new ATOM 0 HD12 LEU A 170 -8.156 -0.751 -3.330 1.00 0.29 H new ATOM 0 HD13 LEU A 170 -8.086 -0.840 -5.106 1.00 0.29 H new ATOM 0 HD21 LEU A 170 -11.078 -0.185 -5.516 1.00 0.29 H new ATOM 0 HD22 LEU A 170 -10.235 -1.495 -6.376 1.00 0.29 H new ATOM 0 HD23 LEU A 170 -11.698 -1.851 -5.427 1.00 0.29 H new ATOM 94 N GLU A 171 -11.294 -4.213 -2.075 1.00 0.19 N ATOM 95 CA GLU A 171 -12.506 -4.244 -1.259 1.00 0.24 C ATOM 96 C GLU A 171 -12.136 -4.439 0.207 1.00 0.22 C ATOM 97 O GLU A 171 -12.777 -3.890 1.106 1.00 0.26 O ATOM 98 CB GLU A 171 -13.443 -5.368 -1.715 1.00 0.36 C ATOM 99 CG GLU A 171 -12.855 -6.759 -1.543 1.00 1.00 C ATOM 100 CD GLU A 171 -13.860 -7.861 -1.784 1.00 1.16 C ATOM 101 OE1 GLU A 171 -14.841 -7.955 -1.019 1.00 1.46 O ATOM 102 OE2 GLU A 171 -13.680 -8.639 -2.743 1.00 1.10 O ATOM 0 H GLU A 171 -11.267 -4.911 -2.818 1.00 0.19 H new ATOM 0 HA GLU A 171 -13.027 -3.294 -1.379 1.00 0.24 H new ATOM 0 HB2 GLU A 171 -14.374 -5.304 -1.152 1.00 0.36 H new ATOM 0 HB3 GLU A 171 -13.694 -5.216 -2.765 1.00 0.36 H new ATOM 0 HG2 GLU A 171 -12.019 -6.881 -2.231 1.00 1.00 H new ATOM 0 HG3 GLU A 171 -12.454 -6.855 -0.534 1.00 1.00 H new ATOM 109 N GLY A 172 -11.095 -5.232 0.422 1.00 0.19 N ATOM 110 CA GLY A 172 -10.591 -5.471 1.748 1.00 0.22 C ATOM 111 C GLY A 172 -9.971 -4.242 2.377 1.00 0.19 C ATOM 112 O GLY A 172 -10.297 -3.896 3.505 1.00 0.22 O ATOM 0 H GLY A 172 -10.587 -5.719 -0.317 1.00 0.19 H new ATOM 0 HA2 GLY A 172 -11.404 -5.825 2.381 1.00 0.22 H new ATOM 0 HA3 GLY A 172 -9.847 -6.267 1.710 1.00 0.22 H new ATOM 116 N TYR A 173 -9.058 -3.580 1.682 1.00 0.17 N ATOM 117 CA TYR A 173 -8.392 -2.429 2.268 1.00 0.16 C ATOM 118 C TYR A 173 -9.335 -1.232 2.348 1.00 0.16 C ATOM 119 O TYR A 173 -9.305 -0.500 3.326 1.00 0.18 O ATOM 120 CB TYR A 173 -7.120 -2.070 1.498 1.00 0.17 C ATOM 121 CG TYR A 173 -6.268 -1.032 2.195 1.00 0.16 C ATOM 122 CD1 TYR A 173 -5.823 -1.236 3.495 1.00 0.19 C ATOM 123 CD2 TYR A 173 -5.912 0.147 1.556 1.00 0.17 C ATOM 124 CE1 TYR A 173 -5.053 -0.288 4.142 1.00 0.20 C ATOM 125 CE2 TYR A 173 -5.138 1.098 2.196 1.00 0.20 C ATOM 126 CZ TYR A 173 -4.714 0.876 3.486 1.00 0.19 C ATOM 127 OH TYR A 173 -3.953 1.827 4.128 1.00 0.24 O ATOM 0 H TYR A 173 -8.767 -3.813 0.733 1.00 0.17 H new ATOM 0 HA TYR A 173 -8.101 -2.699 3.283 1.00 0.16 H new ATOM 0 HB2 TYR A 173 -6.528 -2.973 1.347 1.00 0.17 H new ATOM 0 HB3 TYR A 173 -7.394 -1.700 0.510 1.00 0.17 H new ATOM 0 HD1 TYR A 173 -6.083 -2.150 4.008 1.00 0.19 H new ATOM 0 HD2 TYR A 173 -6.244 0.325 0.544 1.00 0.17 H new ATOM 0 HE1 TYR A 173 -4.719 -0.458 5.155 1.00 0.20 H new ATOM 0 HE2 TYR A 173 -4.868 2.011 1.686 1.00 0.20 H new ATOM 0 HH TYR A 173 -3.802 2.586 3.527 1.00 0.24 H new ATOM 137 N ARG A 174 -10.168 -1.026 1.330 1.00 0.18 N ATOM 138 CA ARG A 174 -11.172 0.042 1.351 1.00 0.23 C ATOM 139 C ARG A 174 -12.097 -0.071 2.563 1.00 0.23 C ATOM 140 O ARG A 174 -12.397 0.952 3.186 1.00 0.25 O ATOM 141 CB ARG A 174 -11.990 0.070 0.058 1.00 0.31 C ATOM 142 CG ARG A 174 -13.155 1.048 0.101 1.00 0.93 C ATOM 143 CD ARG A 174 -14.019 0.957 -1.147 1.00 0.74 C ATOM 144 NE ARG A 174 -15.247 1.742 -1.012 1.00 1.05 N ATOM 145 CZ ARG A 174 -15.995 2.143 -2.042 1.00 1.35 C ATOM 146 NH1 ARG A 174 -15.613 1.885 -3.288 1.00 1.31 N ATOM 147 NH2 ARG A 174 -17.117 2.819 -1.823 1.00 2.09 N ATOM 0 H ARG A 174 -10.169 -1.585 0.477 1.00 0.18 H new ATOM 0 HA ARG A 174 -10.627 0.982 1.431 1.00 0.23 H new ATOM 0 HB2 ARG A 174 -11.335 0.333 -0.772 1.00 0.31 H new ATOM 0 HB3 ARG A 174 -12.373 -0.931 -0.143 1.00 0.31 H new ATOM 0 HG2 ARG A 174 -13.766 0.846 0.981 1.00 0.93 H new ATOM 0 HG3 ARG A 174 -12.773 2.064 0.204 1.00 0.93 H new ATOM 0 HD2 ARG A 174 -13.453 1.312 -2.008 1.00 0.74 H new ATOM 0 HD3 ARG A 174 -14.272 -0.086 -1.339 1.00 0.74 H new ATOM 0 HE ARG A 174 -15.550 1.998 -0.072 1.00 1.05 H new ATOM 0 HH11 ARG A 174 -14.745 1.378 -3.461 1.00 1.31 H new ATOM 0 HH12 ARG A 174 -16.188 2.193 -4.072 1.00 1.31 H new ATOM 0 HH21 ARG A 174 -17.406 3.031 -0.868 1.00 2.09 H new ATOM 0 HH22 ARG A 174 -17.689 3.126 -2.610 1.00 2.09 H new ATOM 161 N LYS A 175 -12.532 -1.268 2.934 1.00 0.22 N ATOM 162 CA LYS A 175 -13.344 -1.397 4.146 1.00 0.25 C ATOM 163 C LYS A 175 -12.511 -1.033 5.379 1.00 0.24 C ATOM 164 O LYS A 175 -13.053 -0.760 6.451 1.00 0.29 O ATOM 165 CB LYS A 175 -13.931 -2.806 4.307 1.00 0.26 C ATOM 166 CG LYS A 175 -12.888 -3.861 4.613 1.00 0.89 C ATOM 167 CD LYS A 175 -13.500 -5.202 4.958 1.00 0.84 C ATOM 168 CE LYS A 175 -12.418 -6.242 5.199 1.00 1.71 C ATOM 169 NZ LYS A 175 -12.975 -7.517 5.709 1.00 2.34 N ATOM 0 H LYS A 175 -12.347 -2.139 2.436 1.00 0.22 H new ATOM 0 HA LYS A 175 -14.180 -0.705 4.050 1.00 0.25 H new ATOM 0 HB2 LYS A 175 -14.671 -2.794 5.108 1.00 0.26 H new ATOM 0 HB3 LYS A 175 -14.456 -3.080 3.392 1.00 0.26 H new ATOM 0 HG2 LYS A 175 -12.230 -3.977 3.752 1.00 0.89 H new ATOM 0 HG3 LYS A 175 -12.269 -3.524 5.444 1.00 0.89 H new ATOM 0 HD2 LYS A 175 -14.122 -5.105 5.848 1.00 0.84 H new ATOM 0 HD3 LYS A 175 -14.151 -5.529 4.148 1.00 0.84 H new ATOM 0 HE2 LYS A 175 -11.881 -6.428 4.269 1.00 1.71 H new ATOM 0 HE3 LYS A 175 -11.693 -5.852 5.914 1.00 1.71 H new ATOM 0 HZ1 LYS A 175 -12.203 -8.198 5.859 1.00 2.34 H new ATOM 0 HZ2 LYS A 175 -13.466 -7.346 6.610 1.00 2.34 H new ATOM 0 HZ3 LYS A 175 -13.647 -7.904 5.016 1.00 2.34 H new ATOM 183 N GLU A 176 -11.190 -1.019 5.216 1.00 0.20 N ATOM 184 CA GLU A 176 -10.288 -0.665 6.298 1.00 0.18 C ATOM 185 C GLU A 176 -9.912 0.821 6.221 1.00 0.20 C ATOM 186 O GLU A 176 -9.325 1.370 7.151 1.00 0.44 O ATOM 187 CB GLU A 176 -9.017 -1.523 6.247 1.00 0.19 C ATOM 188 CG GLU A 176 -8.179 -1.442 7.516 1.00 0.24 C ATOM 189 CD GLU A 176 -8.879 -2.067 8.707 1.00 0.34 C ATOM 190 OE1 GLU A 176 -9.657 -1.361 9.380 1.00 0.69 O ATOM 191 OE2 GLU A 176 -8.649 -3.263 8.985 1.00 0.70 O ATOM 0 H GLU A 176 -10.723 -1.251 4.339 1.00 0.20 H new ATOM 0 HA GLU A 176 -10.803 -0.853 7.240 1.00 0.18 H new ATOM 0 HB2 GLU A 176 -9.296 -2.562 6.071 1.00 0.19 H new ATOM 0 HB3 GLU A 176 -8.409 -1.208 5.399 1.00 0.19 H new ATOM 0 HG2 GLU A 176 -7.226 -1.945 7.352 1.00 0.24 H new ATOM 0 HG3 GLU A 176 -7.955 -0.398 7.735 1.00 0.24 H new ATOM 198 N GLN A 177 -10.280 1.492 5.128 1.00 0.29 N ATOM 199 CA GLN A 177 -9.857 2.870 4.906 1.00 0.22 C ATOM 200 C GLN A 177 -10.947 3.822 5.352 1.00 0.25 C ATOM 201 O GLN A 177 -10.735 4.668 6.214 1.00 0.25 O ATOM 202 CB GLN A 177 -9.567 3.131 3.428 1.00 0.21 C ATOM 203 CG GLN A 177 -8.418 2.328 2.865 1.00 0.20 C ATOM 204 CD GLN A 177 -8.210 2.586 1.384 1.00 0.22 C ATOM 205 OE1 GLN A 177 -8.785 1.908 0.537 1.00 0.24 O ATOM 206 NE2 GLN A 177 -7.387 3.570 1.062 1.00 0.24 N ATOM 0 H GLN A 177 -10.866 1.104 4.389 1.00 0.29 H new ATOM 0 HA GLN A 177 -8.947 3.031 5.483 1.00 0.22 H new ATOM 0 HB2 GLN A 177 -10.465 2.912 2.850 1.00 0.21 H new ATOM 0 HB3 GLN A 177 -9.353 4.191 3.294 1.00 0.21 H new ATOM 0 HG2 GLN A 177 -7.505 2.574 3.407 1.00 0.20 H new ATOM 0 HG3 GLN A 177 -8.606 1.266 3.024 1.00 0.20 H new ATOM 0 HE21 GLN A 177 -6.928 4.111 1.795 1.00 0.24 H new ATOM 0 HE22 GLN A 177 -7.212 3.788 0.081 1.00 0.24 H new ATOM 215 N GLU A 178 -12.123 3.648 4.765 1.00 0.27 N ATOM 216 CA GLU A 178 -13.257 4.531 5.024 1.00 0.31 C ATOM 217 C GLU A 178 -13.659 4.513 6.500 1.00 0.33 C ATOM 218 O GLU A 178 -14.189 5.489 7.022 1.00 0.36 O ATOM 219 CB GLU A 178 -14.444 4.143 4.134 1.00 0.35 C ATOM 220 CG GLU A 178 -14.884 2.696 4.283 1.00 0.39 C ATOM 221 CD GLU A 178 -15.971 2.321 3.299 1.00 0.46 C ATOM 222 OE1 GLU A 178 -17.129 2.742 3.495 1.00 0.71 O ATOM 223 OE2 GLU A 178 -15.676 1.611 2.315 1.00 0.41 O ATOM 0 H GLU A 178 -12.319 2.899 4.101 1.00 0.27 H new ATOM 0 HA GLU A 178 -12.952 5.549 4.782 1.00 0.31 H new ATOM 0 HB2 GLU A 178 -15.287 4.794 4.367 1.00 0.35 H new ATOM 0 HB3 GLU A 178 -14.179 4.325 3.093 1.00 0.35 H new ATOM 0 HG2 GLU A 178 -14.025 2.041 4.139 1.00 0.39 H new ATOM 0 HG3 GLU A 178 -15.244 2.531 5.299 1.00 0.39 H new ATOM 230 N ARG A 179 -13.380 3.399 7.165 1.00 0.34 N ATOM 231 CA ARG A 179 -13.704 3.227 8.579 1.00 0.40 C ATOM 232 C ARG A 179 -12.672 3.914 9.481 1.00 0.35 C ATOM 233 O ARG A 179 -12.909 4.126 10.671 1.00 0.38 O ATOM 234 CB ARG A 179 -13.772 1.730 8.897 1.00 0.48 C ATOM 235 CG ARG A 179 -13.992 1.407 10.364 1.00 0.65 C ATOM 236 CD ARG A 179 -13.986 -0.090 10.591 1.00 0.83 C ATOM 237 NE ARG A 179 -13.960 -0.437 12.012 1.00 1.03 N ATOM 238 CZ ARG A 179 -13.341 -1.510 12.498 1.00 1.80 C ATOM 239 NH1 ARG A 179 -12.707 -2.343 11.683 1.00 2.15 N ATOM 240 NH2 ARG A 179 -13.356 -1.749 13.802 1.00 2.55 N ATOM 0 H ARG A 179 -12.924 2.590 6.743 1.00 0.34 H new ATOM 0 HA ARG A 179 -14.669 3.694 8.774 1.00 0.40 H new ATOM 0 HB2 ARG A 179 -14.579 1.284 8.315 1.00 0.48 H new ATOM 0 HB3 ARG A 179 -12.845 1.259 8.570 1.00 0.48 H new ATOM 0 HG2 ARG A 179 -13.212 1.874 10.965 1.00 0.65 H new ATOM 0 HG3 ARG A 179 -14.942 1.826 10.695 1.00 0.65 H new ATOM 0 HD2 ARG A 179 -14.870 -0.529 10.128 1.00 0.83 H new ATOM 0 HD3 ARG A 179 -13.118 -0.526 10.097 1.00 0.83 H new ATOM 0 HE ARG A 179 -14.443 0.178 12.667 1.00 1.03 H new ATOM 0 HH11 ARG A 179 -12.693 -2.162 10.679 1.00 2.15 H new ATOM 0 HH12 ARG A 179 -12.234 -3.164 12.060 1.00 2.15 H new ATOM 0 HH21 ARG A 179 -13.842 -1.111 14.432 1.00 2.55 H new ATOM 0 HH22 ARG A 179 -12.882 -2.571 14.175 1.00 2.55 H new ATOM 254 N LEU A 180 -11.536 4.276 8.906 1.00 0.30 N ATOM 255 CA LEU A 180 -10.423 4.841 9.671 1.00 0.28 C ATOM 256 C LEU A 180 -10.014 6.222 9.158 1.00 0.25 C ATOM 257 O LEU A 180 -9.281 6.940 9.833 1.00 0.24 O ATOM 258 CB LEU A 180 -9.215 3.900 9.626 1.00 0.28 C ATOM 259 CG LEU A 180 -9.424 2.526 10.269 1.00 0.33 C ATOM 260 CD1 LEU A 180 -8.143 1.711 10.203 1.00 0.35 C ATOM 261 CD2 LEU A 180 -9.881 2.672 11.711 1.00 0.38 C ATOM 0 H LEU A 180 -11.355 4.190 7.906 1.00 0.30 H new ATOM 0 HA LEU A 180 -10.766 4.953 10.700 1.00 0.28 H new ATOM 0 HB2 LEU A 180 -8.929 3.754 8.584 1.00 0.28 H new ATOM 0 HB3 LEU A 180 -8.377 4.390 10.121 1.00 0.28 H new ATOM 0 HG LEU A 180 -10.202 2.002 9.713 1.00 0.33 H new ATOM 0 HD11 LEU A 180 -8.307 0.737 10.664 1.00 0.35 H new ATOM 0 HD12 LEU A 180 -7.852 1.575 9.162 1.00 0.35 H new ATOM 0 HD13 LEU A 180 -7.350 2.236 10.736 1.00 0.35 H new ATOM 0 HD21 LEU A 180 -10.024 1.684 12.149 1.00 0.38 H new ATOM 0 HD22 LEU A 180 -9.126 3.215 12.279 1.00 0.38 H new ATOM 0 HD23 LEU A 180 -10.822 3.221 11.741 1.00 0.38 H new ATOM 273 N GLY A 181 -10.480 6.598 7.978 1.00 0.24 N ATOM 274 CA GLY A 181 -10.134 7.896 7.432 1.00 0.22 C ATOM 275 C GLY A 181 -8.922 7.827 6.524 1.00 0.18 C ATOM 276 O GLY A 181 -8.471 8.845 5.994 1.00 0.18 O ATOM 0 H GLY A 181 -11.090 6.031 7.389 1.00 0.24 H new ATOM 0 HA2 GLY A 181 -10.982 8.292 6.874 1.00 0.22 H new ATOM 0 HA3 GLY A 181 -9.936 8.591 8.248 1.00 0.22 H new ATOM 280 N ILE A 182 -8.385 6.620 6.367 1.00 0.17 N ATOM 281 CA ILE A 182 -7.210 6.390 5.534 1.00 0.16 C ATOM 282 C ILE A 182 -7.498 6.754 4.079 1.00 0.15 C ATOM 283 O ILE A 182 -8.481 6.289 3.497 1.00 0.17 O ATOM 284 CB ILE A 182 -6.754 4.914 5.609 1.00 0.17 C ATOM 285 CG1 ILE A 182 -6.467 4.519 7.061 1.00 0.20 C ATOM 286 CG2 ILE A 182 -5.525 4.685 4.738 1.00 0.19 C ATOM 287 CD1 ILE A 182 -6.084 3.066 7.230 1.00 0.22 C ATOM 0 H ILE A 182 -8.751 5.778 6.812 1.00 0.17 H new ATOM 0 HA ILE A 182 -6.412 7.027 5.914 1.00 0.16 H new ATOM 0 HB ILE A 182 -7.560 4.285 5.231 1.00 0.17 H new ATOM 0 HG12 ILE A 182 -5.662 5.145 7.447 1.00 0.20 H new ATOM 0 HG13 ILE A 182 -7.350 4.726 7.666 1.00 0.20 H new ATOM 0 HG21 ILE A 182 -5.221 3.640 4.805 1.00 0.19 H new ATOM 0 HG22 ILE A 182 -5.763 4.928 3.702 1.00 0.19 H new ATOM 0 HG23 ILE A 182 -4.711 5.323 5.082 1.00 0.19 H new ATOM 0 HD11 ILE A 182 -5.896 2.860 8.284 1.00 0.22 H new ATOM 0 HD12 ILE A 182 -6.897 2.432 6.876 1.00 0.22 H new ATOM 0 HD13 ILE A 182 -5.183 2.858 6.653 1.00 0.22 H new ATOM 299 N PRO A 183 -6.652 7.607 3.483 1.00 0.14 N ATOM 300 CA PRO A 183 -6.796 8.020 2.090 1.00 0.15 C ATOM 301 C PRO A 183 -6.423 6.907 1.120 1.00 0.14 C ATOM 302 O PRO A 183 -5.637 6.011 1.438 1.00 0.16 O ATOM 303 CB PRO A 183 -5.818 9.185 1.960 1.00 0.20 C ATOM 304 CG PRO A 183 -4.776 8.913 2.981 1.00 0.24 C ATOM 305 CD PRO A 183 -5.484 8.240 4.123 1.00 0.15 C ATOM 0 HA PRO A 183 -7.826 8.282 1.847 1.00 0.15 H new ATOM 0 HB2 PRO A 183 -5.389 9.233 0.959 1.00 0.20 H new ATOM 0 HB3 PRO A 183 -6.312 10.140 2.142 1.00 0.20 H new ATOM 0 HG2 PRO A 183 -3.991 8.274 2.577 1.00 0.24 H new ATOM 0 HG3 PRO A 183 -4.298 9.837 3.307 1.00 0.24 H new ATOM 0 HD2 PRO A 183 -4.846 7.503 4.612 1.00 0.15 H new ATOM 0 HD3 PRO A 183 -5.785 8.957 4.887 1.00 0.15 H new ATOM 313 N TYR A 184 -7.008 6.982 -0.058 1.00 0.15 N ATOM 314 CA TYR A 184 -6.758 6.031 -1.122 1.00 0.16 C ATOM 315 C TYR A 184 -5.425 6.295 -1.797 1.00 0.16 C ATOM 316 O TYR A 184 -4.709 5.369 -2.176 1.00 0.19 O ATOM 317 CB TYR A 184 -7.844 6.160 -2.168 1.00 0.17 C ATOM 318 CG TYR A 184 -8.783 4.982 -2.241 1.00 0.10 C ATOM 319 CD1 TYR A 184 -8.459 3.881 -3.015 1.00 0.23 C ATOM 320 CD2 TYR A 184 -9.997 4.978 -1.567 1.00 0.30 C ATOM 321 CE1 TYR A 184 -9.312 2.807 -3.127 1.00 0.27 C ATOM 322 CE2 TYR A 184 -10.859 3.899 -1.667 1.00 0.42 C ATOM 323 CZ TYR A 184 -10.508 2.817 -2.451 1.00 0.36 C ATOM 324 OH TYR A 184 -11.363 1.750 -2.579 1.00 0.50 O ATOM 0 H TYR A 184 -7.676 7.711 -0.306 1.00 0.15 H new ATOM 0 HA TYR A 184 -6.745 5.033 -0.684 1.00 0.16 H new ATOM 0 HB2 TYR A 184 -8.424 7.059 -1.962 1.00 0.17 H new ATOM 0 HB3 TYR A 184 -7.377 6.298 -3.143 1.00 0.17 H new ATOM 0 HD1 TYR A 184 -7.517 3.865 -3.542 1.00 0.23 H new ATOM 0 HD2 TYR A 184 -10.272 5.826 -0.958 1.00 0.30 H new ATOM 0 HE1 TYR A 184 -9.043 1.961 -3.743 1.00 0.27 H new ATOM 0 HE2 TYR A 184 -11.799 3.903 -1.136 1.00 0.42 H new ATOM 0 HH TYR A 184 -10.846 0.934 -2.743 1.00 0.50 H new ATOM 334 N ASP A 185 -5.110 7.573 -1.958 1.00 0.16 N ATOM 335 CA ASP A 185 -3.942 7.981 -2.721 1.00 0.17 C ATOM 336 C ASP A 185 -2.710 7.984 -1.821 1.00 0.14 C ATOM 337 O ASP A 185 -2.703 8.616 -0.760 1.00 0.17 O ATOM 338 CB ASP A 185 -4.172 9.364 -3.337 1.00 0.27 C ATOM 339 CG ASP A 185 -3.110 9.746 -4.350 1.00 0.33 C ATOM 340 OD1 ASP A 185 -2.852 8.949 -5.272 1.00 0.74 O ATOM 341 OD2 ASP A 185 -2.522 10.841 -4.224 1.00 0.58 O ATOM 0 H ASP A 185 -5.650 8.346 -1.569 1.00 0.16 H new ATOM 0 HA ASP A 185 -3.776 7.271 -3.531 1.00 0.17 H new ATOM 0 HB2 ASP A 185 -5.149 9.383 -3.819 1.00 0.27 H new ATOM 0 HB3 ASP A 185 -4.194 10.110 -2.543 1.00 0.27 H new ATOM 346 N PRO A 186 -1.647 7.277 -2.248 1.00 0.13 N ATOM 347 CA PRO A 186 -0.479 6.971 -1.407 1.00 0.11 C ATOM 348 C PRO A 186 0.221 8.198 -0.843 1.00 0.12 C ATOM 349 O PRO A 186 0.748 8.159 0.265 1.00 0.13 O ATOM 350 CB PRO A 186 0.467 6.226 -2.357 1.00 0.13 C ATOM 351 CG PRO A 186 -0.008 6.567 -3.724 1.00 0.20 C ATOM 352 CD PRO A 186 -1.492 6.728 -3.603 1.00 0.18 C ATOM 0 HA PRO A 186 -0.783 6.404 -0.527 1.00 0.11 H new ATOM 0 HB2 PRO A 186 1.501 6.539 -2.209 1.00 0.13 H new ATOM 0 HB3 PRO A 186 0.432 5.150 -2.185 1.00 0.13 H new ATOM 0 HG2 PRO A 186 0.458 7.484 -4.084 1.00 0.20 H new ATOM 0 HG3 PRO A 186 0.245 5.780 -4.435 1.00 0.20 H new ATOM 0 HD2 PRO A 186 -1.889 7.403 -4.361 1.00 0.18 H new ATOM 0 HD3 PRO A 186 -2.013 5.778 -3.717 1.00 0.18 H new ATOM 360 N ILE A 187 0.221 9.281 -1.599 1.00 0.13 N ATOM 361 CA ILE A 187 0.991 10.458 -1.236 1.00 0.17 C ATOM 362 C ILE A 187 0.496 11.111 0.062 1.00 0.19 C ATOM 363 O ILE A 187 1.276 11.756 0.761 1.00 0.22 O ATOM 364 CB ILE A 187 1.005 11.501 -2.382 1.00 0.25 C ATOM 365 CG1 ILE A 187 2.086 12.555 -2.132 1.00 0.42 C ATOM 366 CG2 ILE A 187 -0.356 12.162 -2.527 1.00 0.29 C ATOM 367 CD1 ILE A 187 2.274 13.526 -3.279 1.00 0.55 C ATOM 0 H ILE A 187 -0.304 9.370 -2.469 1.00 0.13 H new ATOM 0 HA ILE A 187 2.009 10.110 -1.062 1.00 0.17 H new ATOM 0 HB ILE A 187 1.233 10.982 -3.313 1.00 0.25 H new ATOM 0 HG12 ILE A 187 1.832 13.116 -1.232 1.00 0.42 H new ATOM 0 HG13 ILE A 187 3.033 12.051 -1.937 1.00 0.42 H new ATOM 0 HG21 ILE A 187 -0.322 12.890 -3.337 1.00 0.29 H new ATOM 0 HG22 ILE A 187 -1.107 11.404 -2.751 1.00 0.29 H new ATOM 0 HG23 ILE A 187 -0.617 12.666 -1.596 1.00 0.29 H new ATOM 0 HD11 ILE A 187 3.057 14.241 -3.026 1.00 0.55 H new ATOM 0 HD12 ILE A 187 2.560 12.978 -4.177 1.00 0.55 H new ATOM 0 HD13 ILE A 187 1.341 14.059 -3.461 1.00 0.55 H new ATOM 379 N HIS A 188 -0.777 10.943 0.413 1.00 0.18 N ATOM 380 CA HIS A 188 -1.302 11.599 1.607 1.00 0.20 C ATOM 381 C HIS A 188 -1.245 10.701 2.844 1.00 0.19 C ATOM 382 O HIS A 188 -1.748 11.083 3.903 1.00 0.22 O ATOM 383 CB HIS A 188 -2.743 12.070 1.392 1.00 0.25 C ATOM 384 CG HIS A 188 -2.912 13.032 0.257 1.00 0.32 C ATOM 385 ND1 HIS A 188 -2.497 14.338 0.351 1.00 0.39 N ATOM 386 CD2 HIS A 188 -3.449 12.825 -0.967 1.00 0.42 C ATOM 387 CE1 HIS A 188 -2.788 14.892 -0.812 1.00 0.48 C ATOM 388 NE2 HIS A 188 -3.368 14.014 -1.644 1.00 0.50 N ATOM 0 H HIS A 188 -1.450 10.372 -0.099 1.00 0.18 H new ATOM 0 HA HIS A 188 -0.658 12.461 1.784 1.00 0.20 H new ATOM 0 HB2 HIS A 188 -3.375 11.200 1.213 1.00 0.25 H new ATOM 0 HB3 HIS A 188 -3.100 12.540 2.308 1.00 0.25 H new ATOM 0 HD2 HIS A 188 -3.863 11.900 -1.340 1.00 0.42 H new ATOM 0 HE1 HIS A 188 -2.585 15.923 -1.062 1.00 0.48 H new ATOM 0 HE2 HIS A 188 -3.687 14.196 -2.596 1.00 0.50 H new ATOM 396 N TRP A 189 -0.638 9.520 2.736 1.00 0.18 N ATOM 397 CA TRP A 189 -0.589 8.610 3.882 1.00 0.19 C ATOM 398 C TRP A 189 0.276 9.188 5.000 1.00 0.20 C ATOM 399 O TRP A 189 1.250 9.898 4.751 1.00 0.20 O ATOM 400 CB TRP A 189 -0.013 7.233 3.523 1.00 0.18 C ATOM 401 CG TRP A 189 -0.845 6.364 2.637 1.00 0.15 C ATOM 402 CD1 TRP A 189 -2.205 6.296 2.577 1.00 0.18 C ATOM 403 CD2 TRP A 189 -0.347 5.387 1.714 1.00 0.12 C ATOM 404 NE1 TRP A 189 -2.587 5.360 1.644 1.00 0.15 N ATOM 405 CE2 TRP A 189 -1.460 4.785 1.104 1.00 0.12 C ATOM 406 CE3 TRP A 189 0.942 4.973 1.337 1.00 0.11 C ATOM 407 CZ2 TRP A 189 -1.327 3.790 0.137 1.00 0.12 C ATOM 408 CZ3 TRP A 189 1.074 3.983 0.377 1.00 0.12 C ATOM 409 CH2 TRP A 189 -0.055 3.403 -0.212 1.00 0.12 C ATOM 0 H TRP A 189 -0.184 9.176 1.890 1.00 0.18 H new ATOM 0 HA TRP A 189 -1.623 8.493 4.206 1.00 0.19 H new ATOM 0 HB2 TRP A 189 0.953 7.384 3.041 1.00 0.18 H new ATOM 0 HB3 TRP A 189 0.175 6.691 4.450 1.00 0.18 H new ATOM 0 HD1 TRP A 189 -2.882 6.889 3.174 1.00 0.18 H new ATOM 0 HE1 TRP A 189 -3.549 5.130 1.394 1.00 0.15 H new ATOM 0 HE3 TRP A 189 1.816 5.419 1.788 1.00 0.11 H new ATOM 0 HZ2 TRP A 189 -2.194 3.338 -0.322 1.00 0.12 H new ATOM 0 HZ3 TRP A 189 2.059 3.655 0.080 1.00 0.12 H new ATOM 0 HH2 TRP A 189 0.076 2.633 -0.958 1.00 0.12 H new ATOM 420 N SER A 190 -0.094 8.891 6.231 1.00 0.23 N ATOM 421 CA SER A 190 0.780 9.129 7.363 1.00 0.25 C ATOM 422 C SER A 190 1.487 7.827 7.705 1.00 0.25 C ATOM 423 O SER A 190 0.971 6.766 7.375 1.00 0.25 O ATOM 424 CB SER A 190 -0.031 9.643 8.551 1.00 0.29 C ATOM 425 OG SER A 190 -0.774 10.797 8.193 1.00 1.18 O ATOM 0 H SER A 190 -0.997 8.483 6.473 1.00 0.23 H new ATOM 0 HA SER A 190 1.522 9.888 7.117 1.00 0.25 H new ATOM 0 HB2 SER A 190 -0.708 8.863 8.900 1.00 0.29 H new ATOM 0 HB3 SER A 190 0.638 9.878 9.379 1.00 0.29 H new ATOM 0 HG SER A 190 -1.287 11.109 8.967 1.00 1.18 H new ATOM 431 N THR A 191 2.648 7.910 8.354 1.00 0.26 N ATOM 432 CA THR A 191 3.498 6.738 8.603 1.00 0.28 C ATOM 433 C THR A 191 2.699 5.529 9.102 1.00 0.25 C ATOM 434 O THR A 191 2.851 4.418 8.591 1.00 0.25 O ATOM 435 CB THR A 191 4.602 7.074 9.625 1.00 0.31 C ATOM 436 OG1 THR A 191 5.335 8.229 9.190 1.00 0.74 O ATOM 437 CG2 THR A 191 5.558 5.902 9.800 1.00 0.62 C ATOM 0 H THR A 191 3.027 8.783 8.721 1.00 0.26 H new ATOM 0 HA THR A 191 3.947 6.473 7.646 1.00 0.28 H new ATOM 0 HB THR A 191 4.126 7.280 10.584 1.00 0.31 H new ATOM 0 HG1 THR A 191 6.034 8.438 9.844 1.00 0.74 H new ATOM 0 HG21 THR A 191 6.327 6.165 10.526 1.00 0.62 H new ATOM 0 HG22 THR A 191 5.006 5.032 10.155 1.00 0.62 H new ATOM 0 HG23 THR A 191 6.026 5.669 8.844 1.00 0.62 H new ATOM 445 N ASP A 192 1.833 5.759 10.077 1.00 0.24 N ATOM 446 CA ASP A 192 1.027 4.690 10.660 1.00 0.24 C ATOM 447 C ASP A 192 0.130 4.033 9.606 1.00 0.23 C ATOM 448 O ASP A 192 0.045 2.813 9.526 1.00 0.25 O ATOM 449 CB ASP A 192 0.182 5.255 11.806 1.00 0.29 C ATOM 450 CG ASP A 192 -0.627 4.201 12.531 1.00 1.06 C ATOM 451 OD1 ASP A 192 -0.027 3.229 13.035 1.00 1.37 O ATOM 452 OD2 ASP A 192 -1.869 4.320 12.577 1.00 1.75 O ATOM 0 H ASP A 192 1.668 6.679 10.485 1.00 0.24 H new ATOM 0 HA ASP A 192 1.696 3.922 11.048 1.00 0.24 H new ATOM 0 HB2 ASP A 192 0.838 5.754 12.520 1.00 0.29 H new ATOM 0 HB3 ASP A 192 -0.494 6.013 11.410 1.00 0.29 H new ATOM 457 N GLN A 193 -0.521 4.861 8.793 1.00 0.22 N ATOM 458 CA GLN A 193 -1.401 4.400 7.710 1.00 0.21 C ATOM 459 C GLN A 193 -0.607 3.833 6.533 1.00 0.17 C ATOM 460 O GLN A 193 -1.088 2.924 5.855 1.00 0.14 O ATOM 461 CB GLN A 193 -2.291 5.547 7.227 1.00 0.24 C ATOM 462 CG GLN A 193 -3.151 6.157 8.318 1.00 0.30 C ATOM 463 CD GLN A 193 -3.583 7.575 7.994 1.00 0.41 C ATOM 464 OE1 GLN A 193 -3.806 8.386 8.889 1.00 1.34 O ATOM 465 NE2 GLN A 193 -3.688 7.887 6.714 1.00 0.85 N ATOM 0 H GLN A 193 -0.456 5.877 8.863 1.00 0.22 H new ATOM 0 HA GLN A 193 -2.021 3.599 8.113 1.00 0.21 H new ATOM 0 HB2 GLN A 193 -1.662 6.326 6.796 1.00 0.24 H new ATOM 0 HB3 GLN A 193 -2.938 5.181 6.429 1.00 0.24 H new ATOM 0 HG2 GLN A 193 -4.035 5.537 8.469 1.00 0.30 H new ATOM 0 HG3 GLN A 193 -2.597 6.155 9.257 1.00 0.30 H new ATOM 0 HE21 GLN A 193 -3.494 7.185 6.000 1.00 0.85 H new ATOM 0 HE22 GLN A 193 -3.963 8.830 6.440 1.00 0.85 H new ATOM 474 N VAL A 194 0.577 4.359 6.289 1.00 0.16 N ATOM 475 CA VAL A 194 1.467 3.762 5.293 1.00 0.14 C ATOM 476 C VAL A 194 1.664 2.278 5.604 1.00 0.13 C ATOM 477 O VAL A 194 1.581 1.421 4.724 1.00 0.13 O ATOM 478 CB VAL A 194 2.846 4.462 5.260 1.00 0.16 C ATOM 479 CG1 VAL A 194 3.757 3.825 4.226 1.00 0.17 C ATOM 480 CG2 VAL A 194 2.694 5.945 4.975 1.00 0.17 C ATOM 0 H VAL A 194 0.948 5.187 6.755 1.00 0.16 H new ATOM 0 HA VAL A 194 1.000 3.887 4.316 1.00 0.14 H new ATOM 0 HB VAL A 194 3.300 4.340 6.243 1.00 0.16 H new ATOM 0 HG11 VAL A 194 4.719 4.337 4.224 1.00 0.17 H new ATOM 0 HG12 VAL A 194 3.906 2.773 4.471 1.00 0.17 H new ATOM 0 HG13 VAL A 194 3.301 3.907 3.239 1.00 0.17 H new ATOM 0 HG21 VAL A 194 3.677 6.415 4.957 1.00 0.17 H new ATOM 0 HG22 VAL A 194 2.209 6.082 4.009 1.00 0.17 H new ATOM 0 HG23 VAL A 194 2.087 6.405 5.754 1.00 0.17 H new ATOM 490 N LEU A 195 1.876 1.985 6.875 1.00 0.14 N ATOM 491 CA LEU A 195 2.049 0.615 7.339 1.00 0.14 C ATOM 492 C LEU A 195 0.729 -0.012 7.791 1.00 0.12 C ATOM 493 O LEU A 195 0.700 -1.210 8.054 1.00 0.14 O ATOM 494 CB LEU A 195 3.118 0.518 8.430 1.00 0.16 C ATOM 495 CG LEU A 195 4.489 1.076 8.048 1.00 0.18 C ATOM 496 CD1 LEU A 195 5.413 1.076 9.254 1.00 0.23 C ATOM 497 CD2 LEU A 195 5.093 0.270 6.911 1.00 0.18 C ATOM 0 H LEU A 195 1.933 2.686 7.614 1.00 0.14 H new ATOM 0 HA LEU A 195 2.400 0.036 6.485 1.00 0.14 H new ATOM 0 HB2 LEU A 195 2.761 1.047 9.314 1.00 0.16 H new ATOM 0 HB3 LEU A 195 3.235 -0.529 8.710 1.00 0.16 H new ATOM 0 HG LEU A 195 4.364 2.104 7.709 1.00 0.18 H new ATOM 0 HD11 LEU A 195 6.386 1.476 8.967 1.00 0.23 H new ATOM 0 HD12 LEU A 195 4.984 1.696 10.041 1.00 0.23 H new ATOM 0 HD13 LEU A 195 5.534 0.056 9.620 1.00 0.23 H new ATOM 0 HD21 LEU A 195 6.069 0.681 6.652 1.00 0.18 H new ATOM 0 HD22 LEU A 195 5.208 -0.768 7.222 1.00 0.18 H new ATOM 0 HD23 LEU A 195 4.437 0.318 6.042 1.00 0.18 H new ATOM 509 N HIS A 196 -0.365 0.739 7.862 1.00 0.11 N ATOM 510 CA HIS A 196 -1.673 0.076 7.907 1.00 0.10 C ATOM 511 C HIS A 196 -1.844 -0.697 6.608 1.00 0.09 C ATOM 512 O HIS A 196 -2.205 -1.868 6.595 1.00 0.12 O ATOM 513 CB HIS A 196 -2.843 1.055 8.071 1.00 0.13 C ATOM 514 CG HIS A 196 -3.157 1.413 9.487 1.00 0.16 C ATOM 515 ND1 HIS A 196 -3.810 0.539 10.320 1.00 0.30 N ATOM 516 CD2 HIS A 196 -2.902 2.555 10.159 1.00 0.30 C ATOM 517 CE1 HIS A 196 -3.934 1.167 11.476 1.00 0.30 C ATOM 518 NE2 HIS A 196 -3.396 2.395 11.426 1.00 0.28 N ATOM 0 H HIS A 196 -0.382 1.758 7.889 1.00 0.11 H new ATOM 0 HA HIS A 196 -1.692 -0.577 8.780 1.00 0.10 H new ATOM 0 HB2 HIS A 196 -2.616 1.968 7.520 1.00 0.13 H new ATOM 0 HB3 HIS A 196 -3.732 0.619 7.614 1.00 0.13 H new ATOM 0 HD2 HIS A 196 -2.402 3.430 9.771 1.00 0.30 H new ATOM 0 HE1 HIS A 196 -4.408 0.745 12.350 1.00 0.30 H new ATOM 0 HE2 HIS A 196 -3.362 3.077 12.184 1.00 0.28 H new ATOM 526 N TRP A 197 -1.543 0.000 5.522 1.00 0.10 N ATOM 527 CA TRP A 197 -1.525 -0.587 4.187 1.00 0.09 C ATOM 528 C TRP A 197 -0.531 -1.736 4.101 1.00 0.10 C ATOM 529 O TRP A 197 -0.925 -2.859 3.804 1.00 0.13 O ATOM 530 CB TRP A 197 -1.196 0.493 3.151 1.00 0.09 C ATOM 531 CG TRP A 197 -1.128 0.002 1.733 1.00 0.07 C ATOM 532 CD1 TRP A 197 -2.155 -0.508 0.993 1.00 0.09 C ATOM 533 CD2 TRP A 197 0.021 0.006 0.872 1.00 0.07 C ATOM 534 NE1 TRP A 197 -1.711 -0.849 -0.260 1.00 0.08 N ATOM 535 CE2 TRP A 197 -0.381 -0.536 -0.363 1.00 0.07 C ATOM 536 CE3 TRP A 197 1.353 0.407 1.028 1.00 0.12 C ATOM 537 CZ2 TRP A 197 0.497 -0.685 -1.435 1.00 0.10 C ATOM 538 CZ3 TRP A 197 2.224 0.262 -0.039 1.00 0.16 C ATOM 539 CH2 TRP A 197 1.794 -0.281 -1.257 1.00 0.14 C ATOM 0 H TRP A 197 -1.304 0.991 5.540 1.00 0.10 H new ATOM 0 HA TRP A 197 -2.514 -0.994 3.976 1.00 0.09 H new ATOM 0 HB2 TRP A 197 -1.949 1.279 3.213 1.00 0.09 H new ATOM 0 HB3 TRP A 197 -0.240 0.947 3.410 1.00 0.09 H new ATOM 0 HD1 TRP A 197 -3.170 -0.626 1.343 1.00 0.09 H new ATOM 0 HE1 TRP A 197 -2.279 -1.268 -0.996 1.00 0.08 H new ATOM 0 HE3 TRP A 197 1.696 0.822 1.964 1.00 0.12 H new ATOM 0 HZ2 TRP A 197 0.166 -1.104 -2.374 1.00 0.10 H new ATOM 0 HZ3 TRP A 197 3.253 0.573 0.070 1.00 0.16 H new ATOM 0 HH2 TRP A 197 2.498 -0.383 -2.070 1.00 0.14 H new ATOM 550 N VAL A 198 0.744 -1.482 4.361 1.00 0.10 N ATOM 551 CA VAL A 198 1.757 -2.520 4.219 1.00 0.12 C ATOM 552 C VAL A 198 1.467 -3.747 5.096 1.00 0.13 C ATOM 553 O VAL A 198 1.646 -4.864 4.632 1.00 0.15 O ATOM 554 CB VAL A 198 3.182 -1.989 4.484 1.00 0.14 C ATOM 555 CG1 VAL A 198 4.221 -3.066 4.234 1.00 0.23 C ATOM 556 CG2 VAL A 198 3.464 -0.769 3.625 1.00 0.13 C ATOM 0 H VAL A 198 1.100 -0.577 4.668 1.00 0.10 H new ATOM 0 HA VAL A 198 1.708 -2.839 3.178 1.00 0.12 H new ATOM 0 HB VAL A 198 3.243 -1.698 5.533 1.00 0.14 H new ATOM 0 HG11 VAL A 198 5.215 -2.664 4.428 1.00 0.23 H new ATOM 0 HG12 VAL A 198 4.035 -3.911 4.896 1.00 0.23 H new ATOM 0 HG13 VAL A 198 4.160 -3.397 3.197 1.00 0.23 H new ATOM 0 HG21 VAL A 198 4.473 -0.408 3.825 1.00 0.13 H new ATOM 0 HG22 VAL A 198 3.377 -1.037 2.572 1.00 0.13 H new ATOM 0 HG23 VAL A 198 2.745 0.016 3.860 1.00 0.13 H new ATOM 566 N VAL A 199 0.990 -3.568 6.323 1.00 0.13 N ATOM 567 CA VAL A 199 0.676 -4.718 7.179 1.00 0.14 C ATOM 568 C VAL A 199 -0.582 -5.456 6.696 1.00 0.13 C ATOM 569 O VAL A 199 -0.561 -6.669 6.473 1.00 0.15 O ATOM 570 CB VAL A 199 0.506 -4.301 8.658 1.00 0.18 C ATOM 571 CG1 VAL A 199 -0.020 -5.458 9.496 1.00 0.21 C ATOM 572 CG2 VAL A 199 1.831 -3.804 9.220 1.00 0.20 C ATOM 0 H VAL A 199 0.813 -2.657 6.746 1.00 0.13 H new ATOM 0 HA VAL A 199 1.525 -5.398 7.109 1.00 0.14 H new ATOM 0 HB VAL A 199 -0.224 -3.492 8.701 1.00 0.18 H new ATOM 0 HG11 VAL A 199 -0.130 -5.137 10.532 1.00 0.21 H new ATOM 0 HG12 VAL A 199 -0.988 -5.776 9.110 1.00 0.21 H new ATOM 0 HG13 VAL A 199 0.681 -6.291 9.447 1.00 0.21 H new ATOM 0 HG21 VAL A 199 1.698 -3.513 10.262 1.00 0.20 H new ATOM 0 HG22 VAL A 199 2.574 -4.599 9.157 1.00 0.20 H new ATOM 0 HG23 VAL A 199 2.171 -2.943 8.644 1.00 0.20 H new ATOM 582 N TRP A 200 -1.662 -4.715 6.522 1.00 0.13 N ATOM 583 CA TRP A 200 -2.931 -5.287 6.068 1.00 0.13 C ATOM 584 C TRP A 200 -2.772 -5.949 4.698 1.00 0.13 C ATOM 585 O TRP A 200 -3.178 -7.094 4.499 1.00 0.13 O ATOM 586 CB TRP A 200 -4.007 -4.192 6.009 1.00 0.14 C ATOM 587 CG TRP A 200 -5.414 -4.701 5.874 1.00 0.14 C ATOM 588 CD1 TRP A 200 -6.390 -4.660 6.826 1.00 0.15 C ATOM 589 CD2 TRP A 200 -6.004 -5.323 4.725 1.00 0.13 C ATOM 590 NE1 TRP A 200 -7.548 -5.216 6.339 1.00 0.16 N ATOM 591 CE2 TRP A 200 -7.333 -5.631 5.054 1.00 0.15 C ATOM 592 CE3 TRP A 200 -5.533 -5.649 3.453 1.00 0.13 C ATOM 593 CZ2 TRP A 200 -8.194 -6.249 4.157 1.00 0.15 C ATOM 594 CZ3 TRP A 200 -6.382 -6.263 2.564 1.00 0.14 C ATOM 595 CH2 TRP A 200 -7.702 -6.559 2.915 1.00 0.15 C ATOM 0 H TRP A 200 -1.692 -3.709 6.688 1.00 0.13 H new ATOM 0 HA TRP A 200 -3.239 -6.052 6.780 1.00 0.13 H new ATOM 0 HB2 TRP A 200 -3.939 -3.586 6.913 1.00 0.14 H new ATOM 0 HB3 TRP A 200 -3.791 -3.534 5.167 1.00 0.14 H new ATOM 0 HD1 TRP A 200 -6.270 -4.250 7.818 1.00 0.15 H new ATOM 0 HE1 TRP A 200 -8.425 -5.305 6.852 1.00 0.16 H new ATOM 0 HE3 TRP A 200 -4.515 -5.422 3.171 1.00 0.13 H new ATOM 0 HZ2 TRP A 200 -9.214 -6.477 4.428 1.00 0.15 H new ATOM 0 HZ3 TRP A 200 -6.024 -6.521 1.578 1.00 0.14 H new ATOM 0 HH2 TRP A 200 -8.347 -7.041 2.195 1.00 0.15 H new ATOM 606 N VAL A 201 -2.177 -5.248 3.769 1.00 0.14 N ATOM 607 CA VAL A 201 -2.083 -5.745 2.405 1.00 0.16 C ATOM 608 C VAL A 201 -0.985 -6.806 2.244 1.00 0.16 C ATOM 609 O VAL A 201 -1.107 -7.683 1.393 1.00 0.18 O ATOM 610 CB VAL A 201 -1.925 -4.593 1.394 1.00 0.20 C ATOM 611 CG1 VAL A 201 -1.908 -5.114 -0.030 1.00 0.26 C ATOM 612 CG2 VAL A 201 -3.051 -3.588 1.573 1.00 0.22 C ATOM 0 H VAL A 201 -1.749 -4.335 3.922 1.00 0.14 H new ATOM 0 HA VAL A 201 -3.027 -6.244 2.184 1.00 0.16 H new ATOM 0 HB VAL A 201 -0.971 -4.100 1.583 1.00 0.20 H new ATOM 0 HG11 VAL A 201 -1.795 -4.279 -0.722 1.00 0.26 H new ATOM 0 HG12 VAL A 201 -1.073 -5.804 -0.155 1.00 0.26 H new ATOM 0 HG13 VAL A 201 -2.843 -5.634 -0.238 1.00 0.26 H new ATOM 0 HG21 VAL A 201 -2.932 -2.777 0.855 1.00 0.22 H new ATOM 0 HG22 VAL A 201 -4.009 -4.081 1.408 1.00 0.22 H new ATOM 0 HG23 VAL A 201 -3.021 -3.184 2.585 1.00 0.22 H new ATOM 622 N MET A 202 0.056 -6.787 3.068 1.00 0.17 N ATOM 623 CA MET A 202 0.995 -7.918 3.050 1.00 0.20 C ATOM 624 C MET A 202 0.291 -9.174 3.566 1.00 0.19 C ATOM 625 O MET A 202 0.669 -10.295 3.231 1.00 0.22 O ATOM 626 CB MET A 202 2.261 -7.661 3.876 1.00 0.23 C ATOM 627 CG MET A 202 2.034 -7.698 5.378 1.00 0.23 C ATOM 628 SD MET A 202 3.560 -7.851 6.324 1.00 0.40 S ATOM 629 CE MET A 202 4.479 -6.427 5.753 1.00 0.56 C ATOM 0 H MET A 202 0.272 -6.042 3.730 1.00 0.17 H new ATOM 0 HA MET A 202 1.313 -8.053 2.016 1.00 0.20 H new ATOM 0 HB2 MET A 202 3.012 -8.406 3.613 1.00 0.23 H new ATOM 0 HB3 MET A 202 2.669 -6.688 3.604 1.00 0.23 H new ATOM 0 HG2 MET A 202 1.515 -6.789 5.683 1.00 0.23 H new ATOM 0 HG3 MET A 202 1.379 -8.535 5.619 1.00 0.23 H new ATOM 0 HE1 MET A 202 5.539 -6.572 5.959 1.00 0.56 H new ATOM 0 HE2 MET A 202 4.332 -6.305 4.680 1.00 0.56 H new ATOM 0 HE3 MET A 202 4.127 -5.535 6.271 1.00 0.56 H new ATOM 639 N LYS A 203 -0.740 -8.958 4.372 1.00 0.16 N ATOM 640 CA LYS A 203 -1.569 -10.030 4.910 1.00 0.18 C ATOM 641 C LYS A 203 -2.426 -10.694 3.830 1.00 0.18 C ATOM 642 O LYS A 203 -2.510 -11.921 3.795 1.00 0.20 O ATOM 643 CB LYS A 203 -2.457 -9.471 6.027 1.00 0.19 C ATOM 644 CG LYS A 203 -3.518 -10.437 6.517 1.00 0.36 C ATOM 645 CD LYS A 203 -4.265 -9.878 7.714 1.00 0.82 C ATOM 646 CE LYS A 203 -5.280 -10.871 8.254 1.00 1.61 C ATOM 647 NZ LYS A 203 -4.635 -12.080 8.835 1.00 2.35 N ATOM 0 H LYS A 203 -1.027 -8.027 4.674 1.00 0.16 H new ATOM 0 HA LYS A 203 -0.909 -10.800 5.310 1.00 0.18 H new ATOM 0 HB2 LYS A 203 -1.826 -9.184 6.868 1.00 0.19 H new ATOM 0 HB3 LYS A 203 -2.944 -8.564 5.669 1.00 0.19 H new ATOM 0 HG2 LYS A 203 -4.222 -10.646 5.712 1.00 0.36 H new ATOM 0 HG3 LYS A 203 -3.053 -11.385 6.787 1.00 0.36 H new ATOM 0 HD2 LYS A 203 -3.554 -9.620 8.499 1.00 0.82 H new ATOM 0 HD3 LYS A 203 -4.773 -8.957 7.429 1.00 0.82 H new ATOM 0 HE2 LYS A 203 -5.890 -10.386 9.016 1.00 1.61 H new ATOM 0 HE3 LYS A 203 -5.953 -11.172 7.451 1.00 1.61 H new ATOM 0 HZ1 LYS A 203 -5.344 -12.637 9.353 1.00 2.35 H new ATOM 0 HZ2 LYS A 203 -4.231 -12.659 8.071 1.00 2.35 H new ATOM 0 HZ3 LYS A 203 -3.879 -11.790 9.487 1.00 2.35 H new ATOM 661 N GLU A 204 -3.059 -9.907 2.955 1.00 0.18 N ATOM 662 CA GLU A 204 -3.955 -10.444 1.921 1.00 0.18 C ATOM 663 C GLU A 204 -3.295 -11.592 1.144 1.00 0.23 C ATOM 664 O GLU A 204 -3.821 -12.705 1.086 1.00 0.47 O ATOM 665 CB GLU A 204 -4.347 -9.312 0.960 1.00 0.23 C ATOM 666 CG GLU A 204 -5.804 -9.330 0.518 1.00 0.42 C ATOM 667 CD GLU A 204 -6.169 -10.549 -0.303 1.00 0.93 C ATOM 668 OE1 GLU A 204 -5.801 -10.601 -1.491 1.00 1.72 O ATOM 669 OE2 GLU A 204 -6.836 -11.457 0.236 1.00 1.45 O ATOM 0 H GLU A 204 -2.968 -8.891 2.941 1.00 0.18 H new ATOM 0 HA GLU A 204 -4.844 -10.846 2.407 1.00 0.18 H new ATOM 0 HB2 GLU A 204 -4.139 -8.356 1.441 1.00 0.23 H new ATOM 0 HB3 GLU A 204 -3.712 -9.368 0.076 1.00 0.23 H new ATOM 0 HG2 GLU A 204 -6.444 -9.290 1.400 1.00 0.42 H new ATOM 0 HG3 GLU A 204 -6.010 -8.433 -0.066 1.00 0.42 H new ATOM 676 N PHE A 205 -2.130 -11.320 0.578 1.00 0.18 N ATOM 677 CA PHE A 205 -1.409 -12.282 -0.254 1.00 0.19 C ATOM 678 C PHE A 205 -0.298 -12.978 0.520 1.00 0.22 C ATOM 679 O PHE A 205 0.683 -13.443 -0.065 1.00 0.25 O ATOM 680 CB PHE A 205 -0.800 -11.582 -1.468 1.00 0.19 C ATOM 681 CG PHE A 205 -1.431 -10.261 -1.768 1.00 0.18 C ATOM 682 CD1 PHE A 205 -2.577 -10.209 -2.530 1.00 0.24 C ATOM 683 CD2 PHE A 205 -0.884 -9.080 -1.299 1.00 0.21 C ATOM 684 CE1 PHE A 205 -3.177 -9.008 -2.820 1.00 0.29 C ATOM 685 CE2 PHE A 205 -1.478 -7.867 -1.588 1.00 0.25 C ATOM 686 CZ PHE A 205 -2.575 -7.793 -2.298 1.00 0.29 C ATOM 0 H PHE A 205 -1.653 -10.424 0.680 1.00 0.18 H new ATOM 0 HA PHE A 205 -2.132 -13.032 -0.576 1.00 0.19 H new ATOM 0 HB2 PHE A 205 0.267 -11.437 -1.297 1.00 0.19 H new ATOM 0 HB3 PHE A 205 -0.898 -12.230 -2.339 1.00 0.19 H new ATOM 0 HD1 PHE A 205 -3.010 -11.125 -2.905 1.00 0.24 H new ATOM 0 HD2 PHE A 205 0.015 -9.107 -0.702 1.00 0.21 H new ATOM 0 HE1 PHE A 205 -4.074 -8.968 -3.421 1.00 0.29 H new ATOM 0 HE2 PHE A 205 -1.026 -6.958 -1.219 1.00 0.25 H new ATOM 0 HZ PHE A 205 -3.030 -6.834 -2.495 1.00 0.29 H new ATOM 696 N SER A 206 -0.467 -13.025 1.842 1.00 0.21 N ATOM 697 CA SER A 206 0.376 -13.827 2.733 1.00 0.23 C ATOM 698 C SER A 206 1.869 -13.610 2.487 1.00 0.24 C ATOM 699 O SER A 206 2.659 -14.554 2.481 1.00 0.28 O ATOM 700 CB SER A 206 0.006 -15.317 2.650 1.00 0.26 C ATOM 701 OG SER A 206 -0.268 -15.726 1.316 1.00 1.14 O ATOM 0 H SER A 206 -1.197 -12.505 2.329 1.00 0.21 H new ATOM 0 HA SER A 206 0.178 -13.482 3.748 1.00 0.23 H new ATOM 0 HB2 SER A 206 0.823 -15.916 3.052 1.00 0.26 H new ATOM 0 HB3 SER A 206 -0.867 -15.509 3.274 1.00 0.26 H new ATOM 0 HG SER A 206 0.485 -15.482 0.738 1.00 1.14 H new ATOM 707 N MET A 207 2.241 -12.347 2.292 1.00 0.25 N ATOM 708 CA MET A 207 3.640 -11.971 2.174 1.00 0.27 C ATOM 709 C MET A 207 4.293 -12.005 3.544 1.00 0.52 C ATOM 710 O MET A 207 5.217 -12.783 3.777 1.00 1.36 O ATOM 711 CB MET A 207 3.809 -10.589 1.538 1.00 0.32 C ATOM 712 CG MET A 207 3.344 -10.511 0.092 1.00 0.52 C ATOM 713 SD MET A 207 3.880 -8.995 -0.725 1.00 0.95 S ATOM 714 CE MET A 207 3.049 -7.756 0.263 1.00 0.94 C ATOM 0 H MET A 207 1.588 -11.568 2.213 1.00 0.25 H new ATOM 0 HA MET A 207 4.128 -12.690 1.517 1.00 0.27 H new ATOM 0 HB2 MET A 207 3.254 -9.859 2.127 1.00 0.32 H new ATOM 0 HB3 MET A 207 4.860 -10.304 1.587 1.00 0.32 H new ATOM 0 HG2 MET A 207 3.728 -11.371 -0.457 1.00 0.52 H new ATOM 0 HG3 MET A 207 2.256 -10.572 0.060 1.00 0.52 H new ATOM 0 HE1 MET A 207 3.517 -6.786 0.099 1.00 0.94 H new ATOM 0 HE2 MET A 207 1.999 -7.705 -0.025 1.00 0.94 H new ATOM 0 HE3 MET A 207 3.124 -8.021 1.318 1.00 0.94 H new ATOM 724 N THR A 208 3.785 -11.157 4.444 1.00 0.86 N ATOM 725 CA THR A 208 4.182 -11.146 5.854 1.00 1.02 C ATOM 726 C THR A 208 5.603 -10.611 6.060 1.00 1.04 C ATOM 727 O THR A 208 5.832 -9.738 6.898 1.00 1.71 O ATOM 728 CB THR A 208 4.048 -12.549 6.482 1.00 1.53 C ATOM 729 OG1 THR A 208 2.710 -13.036 6.290 1.00 2.11 O ATOM 730 CG2 THR A 208 4.366 -12.520 7.972 1.00 1.72 C ATOM 0 H THR A 208 3.082 -10.455 4.212 1.00 0.86 H new ATOM 0 HA THR A 208 3.498 -10.464 6.360 1.00 1.02 H new ATOM 0 HB THR A 208 4.762 -13.211 5.991 1.00 1.53 H new ATOM 0 HG1 THR A 208 2.626 -13.928 6.688 1.00 2.11 H new ATOM 0 HG21 THR A 208 4.263 -13.523 8.386 1.00 1.72 H new ATOM 0 HG22 THR A 208 5.388 -12.170 8.119 1.00 1.72 H new ATOM 0 HG23 THR A 208 3.675 -11.846 8.478 1.00 1.72 H new ATOM 738 N ASP A 209 6.556 -11.122 5.302 1.00 0.83 N ATOM 739 CA ASP A 209 7.934 -10.695 5.442 1.00 0.85 C ATOM 740 C ASP A 209 8.289 -9.656 4.387 1.00 0.70 C ATOM 741 O ASP A 209 9.016 -9.933 3.435 1.00 1.04 O ATOM 742 CB ASP A 209 8.879 -11.892 5.355 1.00 1.19 C ATOM 743 CG ASP A 209 10.281 -11.560 5.830 1.00 1.50 C ATOM 744 OD1 ASP A 209 10.553 -11.716 7.038 1.00 1.94 O ATOM 745 OD2 ASP A 209 11.119 -11.150 5.004 1.00 1.88 O ATOM 0 H ASP A 209 6.401 -11.831 4.585 1.00 0.83 H new ATOM 0 HA ASP A 209 8.049 -10.236 6.424 1.00 0.85 H new ATOM 0 HB2 ASP A 209 8.480 -12.710 5.954 1.00 1.19 H new ATOM 0 HB3 ASP A 209 8.922 -12.243 4.324 1.00 1.19 H new ATOM 750 N ILE A 210 7.732 -8.466 4.539 1.00 0.53 N ATOM 751 CA ILE A 210 8.155 -7.326 3.750 1.00 0.40 C ATOM 752 C ILE A 210 8.562 -6.202 4.698 1.00 0.36 C ATOM 753 O ILE A 210 7.948 -6.015 5.749 1.00 0.47 O ATOM 754 CB ILE A 210 7.083 -6.849 2.721 1.00 0.34 C ATOM 755 CG1 ILE A 210 6.779 -5.362 2.893 1.00 0.44 C ATOM 756 CG2 ILE A 210 5.803 -7.673 2.812 1.00 0.42 C ATOM 757 CD1 ILE A 210 6.174 -4.731 1.665 1.00 0.65 C ATOM 0 H ILE A 210 6.984 -8.266 5.204 1.00 0.53 H new ATOM 0 HA ILE A 210 9.007 -7.632 3.144 1.00 0.40 H new ATOM 0 HB ILE A 210 7.503 -7.001 1.727 1.00 0.34 H new ATOM 0 HG12 ILE A 210 6.097 -5.233 3.733 1.00 0.44 H new ATOM 0 HG13 ILE A 210 7.700 -4.837 3.147 1.00 0.44 H new ATOM 0 HG21 ILE A 210 5.083 -7.309 2.079 1.00 0.42 H new ATOM 0 HG22 ILE A 210 6.029 -8.720 2.609 1.00 0.42 H new ATOM 0 HG23 ILE A 210 5.381 -7.580 3.813 1.00 0.42 H new ATOM 0 HD11 ILE A 210 5.983 -3.675 1.855 1.00 0.65 H new ATOM 0 HD12 ILE A 210 6.865 -4.830 0.827 1.00 0.65 H new ATOM 0 HD13 ILE A 210 5.236 -5.231 1.423 1.00 0.65 H new ATOM 769 N ASP A 211 9.621 -5.496 4.327 1.00 0.28 N ATOM 770 CA ASP A 211 10.265 -4.521 5.200 1.00 0.28 C ATOM 771 C ASP A 211 9.340 -3.384 5.609 1.00 0.27 C ATOM 772 O ASP A 211 9.007 -2.512 4.807 1.00 0.33 O ATOM 773 CB ASP A 211 11.506 -3.954 4.515 1.00 0.34 C ATOM 774 CG ASP A 211 12.575 -5.007 4.311 1.00 0.65 C ATOM 775 OD1 ASP A 211 12.457 -5.796 3.352 1.00 0.91 O ATOM 776 OD2 ASP A 211 13.531 -5.057 5.113 1.00 0.88 O ATOM 0 H ASP A 211 10.060 -5.582 3.410 1.00 0.28 H new ATOM 0 HA ASP A 211 10.542 -5.049 6.113 1.00 0.28 H new ATOM 0 HB2 ASP A 211 11.226 -3.531 3.550 1.00 0.34 H new ATOM 0 HB3 ASP A 211 11.910 -3.139 5.115 1.00 0.34 H new ATOM 781 N LEU A 212 8.939 -3.402 6.872 1.00 0.30 N ATOM 782 CA LEU A 212 8.173 -2.311 7.457 1.00 0.36 C ATOM 783 C LEU A 212 9.115 -1.180 7.851 1.00 0.42 C ATOM 784 O LEU A 212 8.737 -0.012 7.877 1.00 0.56 O ATOM 785 CB LEU A 212 7.413 -2.798 8.696 1.00 0.43 C ATOM 786 CG LEU A 212 6.384 -3.902 8.450 1.00 0.48 C ATOM 787 CD1 LEU A 212 5.847 -4.432 9.770 1.00 0.56 C ATOM 788 CD2 LEU A 212 5.249 -3.382 7.585 1.00 0.52 C ATOM 0 H LEU A 212 9.134 -4.168 7.517 1.00 0.30 H new ATOM 0 HA LEU A 212 7.455 -1.951 6.720 1.00 0.36 H new ATOM 0 HB2 LEU A 212 8.138 -3.158 9.426 1.00 0.43 H new ATOM 0 HB3 LEU A 212 6.904 -1.946 9.146 1.00 0.43 H new ATOM 0 HG LEU A 212 6.874 -4.722 7.924 1.00 0.48 H new ATOM 0 HD11 LEU A 212 5.116 -5.217 9.576 1.00 0.56 H new ATOM 0 HD12 LEU A 212 6.668 -4.839 10.360 1.00 0.56 H new ATOM 0 HD13 LEU A 212 5.371 -3.621 10.321 1.00 0.56 H new ATOM 0 HD21 LEU A 212 4.524 -4.179 7.418 1.00 0.52 H new ATOM 0 HD22 LEU A 212 4.761 -2.547 8.088 1.00 0.52 H new ATOM 0 HD23 LEU A 212 5.646 -3.046 6.627 1.00 0.52 H new ATOM 800 N THR A 213 10.353 -1.551 8.148 1.00 0.44 N ATOM 801 CA THR A 213 11.357 -0.609 8.616 1.00 0.51 C ATOM 802 C THR A 213 11.748 0.405 7.539 1.00 0.46 C ATOM 803 O THR A 213 12.090 1.543 7.855 1.00 0.52 O ATOM 804 CB THR A 213 12.617 -1.352 9.118 1.00 0.71 C ATOM 805 OG1 THR A 213 13.575 -0.423 9.646 1.00 1.56 O ATOM 806 CG2 THR A 213 13.259 -2.163 8.003 1.00 1.34 C ATOM 0 H THR A 213 10.688 -2.511 8.071 1.00 0.44 H new ATOM 0 HA THR A 213 10.909 -0.059 9.444 1.00 0.51 H new ATOM 0 HB THR A 213 12.302 -2.033 9.908 1.00 0.71 H new ATOM 0 HG1 THR A 213 14.365 -0.911 9.960 1.00 1.56 H new ATOM 0 HG21 THR A 213 14.142 -2.674 8.387 1.00 1.34 H new ATOM 0 HG22 THR A 213 12.546 -2.900 7.632 1.00 1.34 H new ATOM 0 HG23 THR A 213 13.549 -1.498 7.190 1.00 1.34 H new ATOM 814 N THR A 214 11.699 0.006 6.276 1.00 0.45 N ATOM 815 CA THR A 214 12.059 0.908 5.194 1.00 0.47 C ATOM 816 C THR A 214 10.866 1.732 4.750 1.00 0.42 C ATOM 817 O THR A 214 11.017 2.834 4.228 1.00 0.60 O ATOM 818 CB THR A 214 12.615 0.145 3.988 1.00 0.57 C ATOM 819 OG1 THR A 214 11.829 -1.028 3.752 1.00 1.18 O ATOM 820 CG2 THR A 214 14.066 -0.238 4.206 1.00 0.40 C ATOM 0 H THR A 214 11.416 -0.928 5.978 1.00 0.45 H new ATOM 0 HA THR A 214 12.833 1.571 5.581 1.00 0.47 H new ATOM 0 HB THR A 214 12.564 0.798 3.116 1.00 0.57 H new ATOM 0 HG1 THR A 214 12.344 -1.664 3.213 1.00 1.18 H new ATOM 0 HG21 THR A 214 14.435 -0.778 3.334 1.00 0.40 H new ATOM 0 HG22 THR A 214 14.662 0.663 4.353 1.00 0.40 H new ATOM 0 HG23 THR A 214 14.146 -0.874 5.088 1.00 0.40 H new ATOM 828 N LEU A 215 9.681 1.193 4.969 1.00 0.30 N ATOM 829 CA LEU A 215 8.454 1.886 4.619 1.00 0.27 C ATOM 830 C LEU A 215 7.925 2.641 5.828 1.00 0.25 C ATOM 831 O LEU A 215 6.762 3.031 5.881 1.00 0.29 O ATOM 832 CB LEU A 215 7.417 0.891 4.092 1.00 0.25 C ATOM 833 CG LEU A 215 7.876 0.072 2.884 1.00 0.23 C ATOM 834 CD1 LEU A 215 6.791 -0.899 2.447 1.00 0.25 C ATOM 835 CD2 LEU A 215 8.272 0.988 1.736 1.00 0.24 C ATOM 0 H LEU A 215 9.542 0.274 5.389 1.00 0.30 H new ATOM 0 HA LEU A 215 8.660 2.607 3.828 1.00 0.27 H new ATOM 0 HB2 LEU A 215 7.147 0.207 4.897 1.00 0.25 H new ATOM 0 HB3 LEU A 215 6.513 1.437 3.822 1.00 0.25 H new ATOM 0 HG LEU A 215 8.751 -0.507 3.177 1.00 0.23 H new ATOM 0 HD11 LEU A 215 7.139 -1.471 1.587 1.00 0.25 H new ATOM 0 HD12 LEU A 215 6.561 -1.580 3.266 1.00 0.25 H new ATOM 0 HD13 LEU A 215 5.894 -0.343 2.174 1.00 0.25 H new ATOM 0 HD21 LEU A 215 8.596 0.387 0.886 1.00 0.24 H new ATOM 0 HD22 LEU A 215 7.416 1.597 1.445 1.00 0.24 H new ATOM 0 HD23 LEU A 215 9.088 1.637 2.053 1.00 0.24 H new ATOM 847 N ASN A 216 8.810 2.860 6.793 1.00 0.24 N ATOM 848 CA ASN A 216 8.475 3.597 8.002 1.00 0.26 C ATOM 849 C ASN A 216 8.594 5.097 7.730 1.00 0.22 C ATOM 850 O ASN A 216 9.276 5.840 8.437 1.00 0.29 O ATOM 851 CB ASN A 216 9.396 3.155 9.148 1.00 0.34 C ATOM 852 CG ASN A 216 8.987 3.710 10.500 1.00 0.69 C ATOM 853 OD1 ASN A 216 9.487 4.744 10.937 1.00 1.34 O ATOM 854 ND2 ASN A 216 8.084 3.020 11.174 1.00 0.64 N ATOM 0 H ASN A 216 9.775 2.533 6.759 1.00 0.24 H new ATOM 0 HA ASN A 216 7.448 3.386 8.299 1.00 0.26 H new ATOM 0 HB2 ASN A 216 9.404 2.066 9.198 1.00 0.34 H new ATOM 0 HB3 ASN A 216 10.415 3.471 8.927 1.00 0.34 H new ATOM 0 HD21 ASN A 216 7.778 3.341 12.092 1.00 0.64 H new ATOM 0 HD22 ASN A 216 7.693 2.166 10.776 1.00 0.64 H new ATOM 861 N ILE A 217 7.926 5.524 6.674 1.00 0.19 N ATOM 862 CA ILE A 217 7.939 6.909 6.242 1.00 0.19 C ATOM 863 C ILE A 217 6.517 7.362 5.960 1.00 0.18 C ATOM 864 O ILE A 217 5.577 6.592 6.148 1.00 0.19 O ATOM 865 CB ILE A 217 8.802 7.094 4.974 1.00 0.20 C ATOM 866 CG1 ILE A 217 8.397 6.075 3.904 1.00 0.27 C ATOM 867 CG2 ILE A 217 10.284 6.971 5.308 1.00 0.32 C ATOM 868 CD1 ILE A 217 9.177 6.198 2.613 1.00 0.89 C ATOM 0 H ILE A 217 7.355 4.915 6.088 1.00 0.19 H new ATOM 0 HA ILE A 217 8.374 7.512 7.039 1.00 0.19 H new ATOM 0 HB ILE A 217 8.629 8.095 4.579 1.00 0.20 H new ATOM 0 HG12 ILE A 217 8.532 5.070 4.304 1.00 0.27 H new ATOM 0 HG13 ILE A 217 7.335 6.192 3.688 1.00 0.27 H new ATOM 0 HG21 ILE A 217 10.874 7.104 4.401 1.00 0.32 H new ATOM 0 HG22 ILE A 217 10.558 7.736 6.035 1.00 0.32 H new ATOM 0 HG23 ILE A 217 10.482 5.985 5.727 1.00 0.32 H new ATOM 0 HD11 ILE A 217 8.833 5.443 1.906 1.00 0.89 H new ATOM 0 HD12 ILE A 217 9.023 7.190 2.188 1.00 0.89 H new ATOM 0 HD13 ILE A 217 10.238 6.050 2.814 1.00 0.89 H new ATOM 880 N SER A 218 6.349 8.594 5.516 1.00 0.19 N ATOM 881 CA SER A 218 5.024 9.103 5.224 1.00 0.20 C ATOM 882 C SER A 218 4.678 8.935 3.743 1.00 0.20 C ATOM 883 O SER A 218 5.537 8.570 2.937 1.00 0.21 O ATOM 884 CB SER A 218 4.922 10.561 5.651 1.00 0.23 C ATOM 885 OG SER A 218 5.228 10.702 7.030 1.00 1.10 O ATOM 0 H SER A 218 7.108 9.255 5.351 1.00 0.19 H new ATOM 0 HA SER A 218 4.297 8.522 5.792 1.00 0.20 H new ATOM 0 HB2 SER A 218 5.606 11.168 5.058 1.00 0.23 H new ATOM 0 HB3 SER A 218 3.916 10.933 5.457 1.00 0.23 H new ATOM 0 HG SER A 218 5.211 9.822 7.461 1.00 1.10 H new ATOM 891 N GLY A 219 3.434 9.218 3.387 1.00 0.21 N ATOM 892 CA GLY A 219 2.953 8.951 2.045 1.00 0.23 C ATOM 893 C GLY A 219 3.724 9.670 0.956 1.00 0.22 C ATOM 894 O GLY A 219 4.101 9.056 -0.043 1.00 0.22 O ATOM 0 H GLY A 219 2.741 9.632 4.011 1.00 0.21 H new ATOM 0 HA2 GLY A 219 3.000 7.878 1.861 1.00 0.23 H new ATOM 0 HA3 GLY A 219 1.904 9.239 1.983 1.00 0.23 H new ATOM 898 N ARG A 220 3.969 10.964 1.138 1.00 0.24 N ATOM 899 CA ARG A 220 4.644 11.762 0.129 1.00 0.25 C ATOM 900 C ARG A 220 6.042 11.228 -0.148 1.00 0.25 C ATOM 901 O ARG A 220 6.569 11.387 -1.243 1.00 0.32 O ATOM 902 CB ARG A 220 4.721 13.232 0.558 1.00 0.26 C ATOM 903 CG ARG A 220 5.741 13.534 1.654 1.00 1.23 C ATOM 904 CD ARG A 220 5.172 13.328 3.048 1.00 2.30 C ATOM 905 NE ARG A 220 6.195 13.441 4.084 1.00 3.08 N ATOM 906 CZ ARG A 220 5.932 13.717 5.359 1.00 4.20 C ATOM 907 NH1 ARG A 220 4.701 14.067 5.726 1.00 4.78 N ATOM 908 NH2 ARG A 220 6.907 13.668 6.256 1.00 5.01 N ATOM 0 H ARG A 220 3.708 11.480 1.978 1.00 0.24 H new ATOM 0 HA ARG A 220 4.060 11.694 -0.789 1.00 0.25 H new ATOM 0 HB2 ARG A 220 4.960 13.838 -0.316 1.00 0.26 H new ATOM 0 HB3 ARG A 220 3.736 13.546 0.903 1.00 0.26 H new ATOM 0 HG2 ARG A 220 6.613 12.893 1.522 1.00 1.23 H new ATOM 0 HG3 ARG A 220 6.084 14.564 1.553 1.00 1.23 H new ATOM 0 HD2 ARG A 220 4.389 14.064 3.231 1.00 2.30 H new ATOM 0 HD3 ARG A 220 4.705 12.345 3.106 1.00 2.30 H new ATOM 0 HE ARG A 220 7.169 13.300 3.814 1.00 3.08 H new ATOM 0 HH11 ARG A 220 3.958 14.124 5.030 1.00 4.78 H new ATOM 0 HH12 ARG A 220 4.501 14.278 6.704 1.00 4.78 H new ATOM 0 HH21 ARG A 220 7.853 13.420 5.968 1.00 5.01 H new ATOM 0 HH22 ARG A 220 6.711 13.879 7.235 1.00 5.01 H new ATOM 922 N GLU A 221 6.623 10.581 0.847 1.00 0.24 N ATOM 923 CA GLU A 221 7.946 9.999 0.725 1.00 0.27 C ATOM 924 C GLU A 221 7.841 8.615 0.090 1.00 0.23 C ATOM 925 O GLU A 221 8.639 8.258 -0.776 1.00 0.23 O ATOM 926 CB GLU A 221 8.579 9.934 2.115 1.00 0.34 C ATOM 927 CG GLU A 221 8.738 11.306 2.756 1.00 0.84 C ATOM 928 CD GLU A 221 8.722 11.274 4.274 1.00 1.60 C ATOM 929 OE1 GLU A 221 8.355 10.235 4.850 1.00 2.45 O ATOM 930 OE2 GLU A 221 9.042 12.314 4.893 1.00 2.07 O ATOM 0 H GLU A 221 6.191 10.445 1.761 1.00 0.24 H new ATOM 0 HA GLU A 221 8.578 10.610 0.081 1.00 0.27 H new ATOM 0 HB2 GLU A 221 7.965 9.306 2.760 1.00 0.34 H new ATOM 0 HB3 GLU A 221 9.556 9.457 2.042 1.00 0.34 H new ATOM 0 HG2 GLU A 221 9.676 11.748 2.420 1.00 0.84 H new ATOM 0 HG3 GLU A 221 7.936 11.956 2.406 1.00 0.84 H new ATOM 937 N LEU A 222 6.834 7.858 0.513 1.00 0.21 N ATOM 938 CA LEU A 222 6.523 6.554 -0.073 1.00 0.20 C ATOM 939 C LEU A 222 6.276 6.680 -1.577 1.00 0.18 C ATOM 940 O LEU A 222 6.910 6.000 -2.379 1.00 0.20 O ATOM 941 CB LEU A 222 5.279 5.971 0.623 1.00 0.21 C ATOM 942 CG LEU A 222 4.949 4.496 0.334 1.00 0.21 C ATOM 943 CD1 LEU A 222 4.278 4.327 -1.021 1.00 0.19 C ATOM 944 CD2 LEU A 222 6.204 3.640 0.411 1.00 0.26 C ATOM 0 H LEU A 222 6.209 8.129 1.272 1.00 0.21 H new ATOM 0 HA LEU A 222 7.372 5.886 0.074 1.00 0.20 H new ATOM 0 HB2 LEU A 222 5.407 6.086 1.699 1.00 0.21 H new ATOM 0 HB3 LEU A 222 4.417 6.574 0.338 1.00 0.21 H new ATOM 0 HG LEU A 222 4.247 4.162 1.099 1.00 0.21 H new ATOM 0 HD11 LEU A 222 4.060 3.272 -1.190 1.00 0.19 H new ATOM 0 HD12 LEU A 222 3.349 4.897 -1.041 1.00 0.19 H new ATOM 0 HD13 LEU A 222 4.943 4.690 -1.804 1.00 0.19 H new ATOM 0 HD21 LEU A 222 5.949 2.601 0.204 1.00 0.26 H new ATOM 0 HD22 LEU A 222 6.929 3.990 -0.325 1.00 0.26 H new ATOM 0 HD23 LEU A 222 6.635 3.715 1.409 1.00 0.26 H new ATOM 956 N CYS A 223 5.366 7.564 -1.949 1.00 0.18 N ATOM 957 CA CYS A 223 4.944 7.680 -3.339 1.00 0.18 C ATOM 958 C CYS A 223 6.038 8.297 -4.212 1.00 0.18 C ATOM 959 O CYS A 223 6.011 8.168 -5.436 1.00 0.21 O ATOM 960 CB CYS A 223 3.659 8.510 -3.422 1.00 0.21 C ATOM 961 SG CYS A 223 2.858 8.499 -5.043 1.00 0.71 S ATOM 0 H CYS A 223 4.904 8.212 -1.311 1.00 0.18 H new ATOM 0 HA CYS A 223 4.752 6.677 -3.720 1.00 0.18 H new ATOM 0 HB2 CYS A 223 2.953 8.137 -2.680 1.00 0.21 H new ATOM 0 HB3 CYS A 223 3.890 9.541 -3.153 1.00 0.21 H new ATOM 0 HG CYS A 223 3.758 8.361 -5.971 1.00 0.71 H new ATOM 967 N SER A 224 7.006 8.955 -3.589 1.00 0.17 N ATOM 968 CA SER A 224 8.064 9.622 -4.331 1.00 0.21 C ATOM 969 C SER A 224 9.236 8.701 -4.668 1.00 0.17 C ATOM 970 O SER A 224 10.136 9.107 -5.404 1.00 0.19 O ATOM 971 CB SER A 224 8.567 10.837 -3.560 1.00 0.30 C ATOM 972 OG SER A 224 7.617 11.890 -3.589 1.00 1.10 O ATOM 0 H SER A 224 7.080 9.040 -2.575 1.00 0.17 H new ATOM 0 HA SER A 224 7.624 9.936 -5.278 1.00 0.21 H new ATOM 0 HB2 SER A 224 8.772 10.557 -2.527 1.00 0.30 H new ATOM 0 HB3 SER A 224 9.508 11.180 -3.990 1.00 0.30 H new ATOM 0 HG SER A 224 6.943 11.742 -2.893 1.00 1.10 H new ATOM 978 N LEU A 225 9.248 7.474 -4.165 1.00 0.17 N ATOM 979 CA LEU A 225 10.321 6.563 -4.526 1.00 0.18 C ATOM 980 C LEU A 225 9.856 5.626 -5.634 1.00 0.19 C ATOM 981 O LEU A 225 8.729 5.126 -5.609 1.00 0.19 O ATOM 982 CB LEU A 225 10.840 5.790 -3.303 1.00 0.19 C ATOM 983 CG LEU A 225 9.800 5.017 -2.489 1.00 0.16 C ATOM 984 CD1 LEU A 225 9.900 3.525 -2.757 1.00 0.39 C ATOM 985 CD2 LEU A 225 9.975 5.298 -1.006 1.00 0.27 C ATOM 0 H LEU A 225 8.549 7.096 -3.525 1.00 0.17 H new ATOM 0 HA LEU A 225 11.161 7.147 -4.903 1.00 0.18 H new ATOM 0 HB2 LEU A 225 11.599 5.085 -3.642 1.00 0.19 H new ATOM 0 HB3 LEU A 225 11.336 6.497 -2.638 1.00 0.19 H new ATOM 0 HG LEU A 225 8.810 5.353 -2.797 1.00 0.16 H new ATOM 0 HD11 LEU A 225 9.150 2.998 -2.167 1.00 0.39 H new ATOM 0 HD12 LEU A 225 9.728 3.333 -3.816 1.00 0.39 H new ATOM 0 HD13 LEU A 225 10.893 3.172 -2.481 1.00 0.39 H new ATOM 0 HD21 LEU A 225 9.228 4.741 -0.440 1.00 0.27 H new ATOM 0 HD22 LEU A 225 10.972 4.990 -0.692 1.00 0.27 H new ATOM 0 HD23 LEU A 225 9.850 6.365 -0.821 1.00 0.27 H new ATOM 997 N ASN A 226 10.707 5.425 -6.624 1.00 0.22 N ATOM 998 CA ASN A 226 10.384 4.557 -7.750 1.00 0.25 C ATOM 999 C ASN A 226 10.580 3.107 -7.354 1.00 0.21 C ATOM 1000 O ASN A 226 11.197 2.824 -6.325 1.00 0.23 O ATOM 1001 CB ASN A 226 11.255 4.881 -8.969 1.00 0.40 C ATOM 1002 CG ASN A 226 12.700 4.418 -8.827 1.00 1.04 C ATOM 1003 OD1 ASN A 226 13.255 4.369 -7.728 1.00 2.01 O ATOM 1004 ND2 ASN A 226 13.317 4.071 -9.945 1.00 1.31 N ATOM 0 H ASN A 226 11.632 5.852 -6.674 1.00 0.22 H new ATOM 0 HA ASN A 226 9.342 4.727 -8.020 1.00 0.25 H new ATOM 0 HB2 ASN A 226 10.818 4.414 -9.852 1.00 0.40 H new ATOM 0 HB3 ASN A 226 11.242 5.958 -9.138 1.00 0.40 H new ATOM 0 HD21 ASN A 226 14.285 3.750 -9.915 1.00 1.31 H new ATOM 0 HD22 ASN A 226 12.825 4.125 -10.837 1.00 1.31 H new ATOM 1011 N GLN A 227 10.013 2.191 -8.152 1.00 0.20 N ATOM 1012 CA GLN A 227 9.989 0.761 -7.849 1.00 0.19 C ATOM 1013 C GLN A 227 11.320 0.255 -7.298 1.00 0.18 C ATOM 1014 O GLN A 227 11.359 -0.549 -6.374 1.00 0.19 O ATOM 1015 CB GLN A 227 9.630 -0.030 -9.104 1.00 0.22 C ATOM 1016 CG GLN A 227 8.628 -1.142 -8.852 1.00 0.29 C ATOM 1017 CD GLN A 227 7.246 -0.613 -8.524 1.00 0.52 C ATOM 1018 OE1 GLN A 227 6.420 -0.399 -9.414 1.00 1.30 O ATOM 1019 NE2 GLN A 227 6.987 -0.395 -7.245 1.00 1.13 N ATOM 0 H GLN A 227 9.556 2.428 -9.032 1.00 0.20 H new ATOM 0 HA GLN A 227 9.235 0.613 -7.076 1.00 0.19 H new ATOM 0 HB2 GLN A 227 9.223 0.653 -9.850 1.00 0.22 H new ATOM 0 HB3 GLN A 227 10.539 -0.459 -9.526 1.00 0.22 H new ATOM 0 HG2 GLN A 227 8.570 -1.781 -9.733 1.00 0.29 H new ATOM 0 HG3 GLN A 227 8.980 -1.765 -8.030 1.00 0.29 H new ATOM 0 HE21 GLN A 227 7.700 -0.586 -6.541 1.00 1.13 H new ATOM 0 HE22 GLN A 227 6.075 -0.036 -6.963 1.00 1.13 H new ATOM 1028 N GLU A 228 12.406 0.786 -7.858 1.00 0.20 N ATOM 1029 CA GLU A 228 13.762 0.359 -7.541 1.00 0.23 C ATOM 1030 C GLU A 228 14.116 0.724 -6.113 1.00 0.18 C ATOM 1031 O GLU A 228 14.585 -0.124 -5.355 1.00 0.19 O ATOM 1032 CB GLU A 228 14.743 1.045 -8.486 1.00 0.34 C ATOM 1033 CG GLU A 228 14.444 0.804 -9.955 1.00 1.14 C ATOM 1034 CD GLU A 228 15.269 1.691 -10.861 1.00 1.66 C ATOM 1035 OE1 GLU A 228 15.707 2.768 -10.397 1.00 2.29 O ATOM 1036 OE2 GLU A 228 15.459 1.335 -12.043 1.00 1.83 O ATOM 0 H GLU A 228 12.365 1.533 -8.552 1.00 0.20 H new ATOM 0 HA GLU A 228 13.822 -0.723 -7.656 1.00 0.23 H new ATOM 0 HB2 GLU A 228 14.730 2.118 -8.293 1.00 0.34 H new ATOM 0 HB3 GLU A 228 15.751 0.694 -8.267 1.00 0.34 H new ATOM 0 HG2 GLU A 228 14.639 -0.241 -10.197 1.00 1.14 H new ATOM 0 HG3 GLU A 228 13.385 0.982 -10.142 1.00 1.14 H new ATOM 1043 N ASP A 229 13.882 1.975 -5.751 1.00 0.18 N ATOM 1044 CA ASP A 229 14.153 2.405 -4.383 1.00 0.20 C ATOM 1045 C ASP A 229 13.375 1.545 -3.401 1.00 0.19 C ATOM 1046 O ASP A 229 13.871 1.225 -2.330 1.00 0.22 O ATOM 1047 CB ASP A 229 13.839 3.889 -4.179 1.00 0.25 C ATOM 1048 CG ASP A 229 14.384 4.425 -2.865 1.00 0.37 C ATOM 1049 OD1 ASP A 229 15.588 4.757 -2.814 1.00 0.71 O ATOM 1050 OD2 ASP A 229 13.616 4.528 -1.884 1.00 0.54 O ATOM 0 H ASP A 229 13.513 2.699 -6.368 1.00 0.18 H new ATOM 0 HA ASP A 229 15.219 2.276 -4.197 1.00 0.20 H new ATOM 0 HB2 ASP A 229 14.261 4.463 -5.004 1.00 0.25 H new ATOM 0 HB3 ASP A 229 12.759 4.036 -4.207 1.00 0.25 H new ATOM 1055 N PHE A 230 12.186 1.109 -3.800 1.00 0.17 N ATOM 1056 CA PHE A 230 11.411 0.206 -2.963 1.00 0.17 C ATOM 1057 C PHE A 230 12.047 -1.173 -2.975 1.00 0.18 C ATOM 1058 O PHE A 230 12.301 -1.743 -1.928 1.00 0.21 O ATOM 1059 CB PHE A 230 9.958 0.099 -3.431 1.00 0.17 C ATOM 1060 CG PHE A 230 9.170 -0.966 -2.705 1.00 0.17 C ATOM 1061 CD1 PHE A 230 8.609 -0.717 -1.459 1.00 0.19 C ATOM 1062 CD2 PHE A 230 8.979 -2.214 -3.279 1.00 0.19 C ATOM 1063 CE1 PHE A 230 7.873 -1.692 -0.807 1.00 0.23 C ATOM 1064 CE2 PHE A 230 8.248 -3.190 -2.629 1.00 0.21 C ATOM 1065 CZ PHE A 230 7.693 -2.927 -1.391 1.00 0.22 C ATOM 0 H PHE A 230 11.744 1.362 -4.684 1.00 0.17 H new ATOM 0 HA PHE A 230 11.409 0.612 -1.952 1.00 0.17 H new ATOM 0 HB2 PHE A 230 9.467 1.062 -3.291 1.00 0.17 H new ATOM 0 HB3 PHE A 230 9.943 -0.114 -4.500 1.00 0.17 H new ATOM 0 HD1 PHE A 230 8.748 0.248 -0.994 1.00 0.19 H new ATOM 0 HD2 PHE A 230 9.408 -2.426 -4.247 1.00 0.19 H new ATOM 0 HE1 PHE A 230 7.440 -1.484 0.160 1.00 0.23 H new ATOM 0 HE2 PHE A 230 8.110 -4.158 -3.088 1.00 0.21 H new ATOM 0 HZ PHE A 230 7.119 -3.688 -0.882 1.00 0.22 H new ATOM 1075 N PHE A 231 12.345 -1.685 -4.167 1.00 0.17 N ATOM 1076 CA PHE A 231 12.780 -3.070 -4.327 1.00 0.20 C ATOM 1077 C PHE A 231 14.133 -3.315 -3.668 1.00 0.25 C ATOM 1078 O PHE A 231 14.460 -4.442 -3.324 1.00 0.41 O ATOM 1079 CB PHE A 231 12.836 -3.451 -5.808 1.00 0.21 C ATOM 1080 CG PHE A 231 11.566 -4.065 -6.331 1.00 0.20 C ATOM 1081 CD1 PHE A 231 10.356 -3.412 -6.168 1.00 0.33 C ATOM 1082 CD2 PHE A 231 11.578 -5.285 -6.987 1.00 0.44 C ATOM 1083 CE1 PHE A 231 9.184 -3.963 -6.649 1.00 0.36 C ATOM 1084 CE2 PHE A 231 10.409 -5.842 -7.470 1.00 0.45 C ATOM 1085 CZ PHE A 231 9.227 -5.221 -7.292 1.00 0.27 C ATOM 0 H PHE A 231 12.293 -1.159 -5.039 1.00 0.17 H new ATOM 0 HA PHE A 231 12.046 -3.702 -3.827 1.00 0.20 H new ATOM 0 HB2 PHE A 231 13.064 -2.560 -6.393 1.00 0.21 H new ATOM 0 HB3 PHE A 231 13.656 -4.152 -5.961 1.00 0.21 H new ATOM 0 HD1 PHE A 231 10.328 -2.460 -5.659 1.00 0.33 H new ATOM 0 HD2 PHE A 231 12.513 -5.808 -7.123 1.00 0.44 H new ATOM 0 HE1 PHE A 231 8.247 -3.439 -6.535 1.00 0.36 H new ATOM 0 HE2 PHE A 231 10.444 -6.785 -7.996 1.00 0.45 H new ATOM 0 HZ PHE A 231 8.315 -5.683 -7.640 1.00 0.27 H new ATOM 1095 N GLN A 232 14.929 -2.275 -3.498 1.00 0.20 N ATOM 1096 CA GLN A 232 16.203 -2.445 -2.816 1.00 0.23 C ATOM 1097 C GLN A 232 15.961 -2.486 -1.312 1.00 0.25 C ATOM 1098 O GLN A 232 16.518 -3.326 -0.600 1.00 0.28 O ATOM 1099 CB GLN A 232 17.190 -1.328 -3.170 1.00 0.24 C ATOM 1100 CG GLN A 232 17.364 -1.095 -4.666 1.00 0.28 C ATOM 1101 CD GLN A 232 17.611 -2.369 -5.455 1.00 0.33 C ATOM 1102 OE1 GLN A 232 18.750 -2.797 -5.631 1.00 0.37 O ATOM 1103 NE2 GLN A 232 16.542 -2.967 -5.958 1.00 0.36 N ATOM 0 H GLN A 232 14.726 -1.326 -3.813 1.00 0.20 H new ATOM 0 HA GLN A 232 16.650 -3.383 -3.145 1.00 0.23 H new ATOM 0 HB2 GLN A 232 16.853 -0.401 -2.707 1.00 0.24 H new ATOM 0 HB3 GLN A 232 18.161 -1.566 -2.736 1.00 0.24 H new ATOM 0 HG2 GLN A 232 16.472 -0.604 -5.055 1.00 0.28 H new ATOM 0 HG3 GLN A 232 18.199 -0.412 -4.824 1.00 0.28 H new ATOM 0 HE21 GLN A 232 15.614 -2.579 -5.789 1.00 0.36 H new ATOM 0 HE22 GLN A 232 16.647 -3.815 -6.515 1.00 0.36 H new ATOM 1112 N ARG A 233 15.129 -1.563 -0.840 1.00 0.24 N ATOM 1113 CA ARG A 233 14.688 -1.518 0.551 1.00 0.27 C ATOM 1114 C ARG A 233 13.907 -2.783 0.923 1.00 0.29 C ATOM 1115 O ARG A 233 13.944 -3.237 2.065 1.00 0.33 O ATOM 1116 CB ARG A 233 13.772 -0.306 0.729 1.00 0.27 C ATOM 1117 CG ARG A 233 14.491 1.022 0.550 1.00 0.27 C ATOM 1118 CD ARG A 233 13.515 2.186 0.467 1.00 0.40 C ATOM 1119 NE ARG A 233 13.315 2.852 1.752 1.00 0.69 N ATOM 1120 CZ ARG A 233 13.222 4.173 1.880 1.00 0.67 C ATOM 1121 NH1 ARG A 233 13.299 4.950 0.806 1.00 0.93 N ATOM 1122 NH2 ARG A 233 13.058 4.720 3.077 1.00 1.39 N ATOM 0 H ARG A 233 14.738 -0.818 -1.417 1.00 0.24 H new ATOM 0 HA ARG A 233 15.564 -1.449 1.196 1.00 0.27 H new ATOM 0 HB2 ARG A 233 12.954 -0.368 0.011 1.00 0.27 H new ATOM 0 HB3 ARG A 233 13.326 -0.339 1.723 1.00 0.27 H new ATOM 0 HG2 ARG A 233 15.175 1.180 1.384 1.00 0.27 H new ATOM 0 HG3 ARG A 233 15.095 0.989 -0.357 1.00 0.27 H new ATOM 0 HD2 ARG A 233 13.883 2.911 -0.259 1.00 0.40 H new ATOM 0 HD3 ARG A 233 12.556 1.824 0.098 1.00 0.40 H new ATOM 0 HE ARG A 233 13.243 2.277 2.591 1.00 0.69 H new ATOM 0 HH11 ARG A 233 13.429 4.534 -0.116 1.00 0.93 H new ATOM 0 HH12 ARG A 233 13.228 5.963 0.903 1.00 0.93 H new ATOM 0 HH21 ARG A 233 13.003 4.127 3.905 1.00 1.39 H new ATOM 0 HH22 ARG A 233 12.987 5.733 3.169 1.00 1.39 H new ATOM 1136 N VAL A 234 13.214 -3.341 -0.075 1.00 0.27 N ATOM 1137 CA VAL A 234 12.248 -4.429 0.089 1.00 0.27 C ATOM 1138 C VAL A 234 11.753 -4.869 -1.301 1.00 0.25 C ATOM 1139 O VAL A 234 10.910 -4.222 -1.912 1.00 0.24 O ATOM 1140 CB VAL A 234 11.043 -4.008 0.991 1.00 0.27 C ATOM 1141 CG1 VAL A 234 10.689 -2.542 0.796 1.00 0.28 C ATOM 1142 CG2 VAL A 234 9.813 -4.868 0.727 1.00 0.26 C ATOM 0 H VAL A 234 13.313 -3.039 -1.044 1.00 0.27 H new ATOM 0 HA VAL A 234 12.743 -5.261 0.590 1.00 0.27 H new ATOM 0 HB VAL A 234 11.359 -4.161 2.023 1.00 0.27 H new ATOM 0 HG11 VAL A 234 9.847 -2.282 1.438 1.00 0.28 H new ATOM 0 HG12 VAL A 234 11.548 -1.923 1.055 1.00 0.28 H new ATOM 0 HG13 VAL A 234 10.418 -2.369 -0.245 1.00 0.28 H new ATOM 0 HG21 VAL A 234 8.997 -4.544 1.373 1.00 0.26 H new ATOM 0 HG22 VAL A 234 9.513 -4.764 -0.316 1.00 0.26 H new ATOM 0 HG23 VAL A 234 10.048 -5.912 0.934 1.00 0.26 H new ATOM 1152 N PRO A 235 12.298 -5.967 -1.834 1.00 0.27 N ATOM 1153 CA PRO A 235 12.044 -6.396 -3.209 1.00 0.27 C ATOM 1154 C PRO A 235 10.761 -7.198 -3.388 1.00 0.30 C ATOM 1155 O PRO A 235 10.175 -7.197 -4.468 1.00 0.32 O ATOM 1156 CB PRO A 235 13.261 -7.274 -3.546 1.00 0.30 C ATOM 1157 CG PRO A 235 14.074 -7.384 -2.288 1.00 0.34 C ATOM 1158 CD PRO A 235 13.219 -6.877 -1.158 1.00 0.33 C ATOM 0 HA PRO A 235 11.912 -5.531 -3.859 1.00 0.27 H new ATOM 0 HB2 PRO A 235 12.945 -8.259 -3.890 1.00 0.30 H new ATOM 0 HB3 PRO A 235 13.849 -6.829 -4.349 1.00 0.30 H new ATOM 0 HG2 PRO A 235 14.371 -8.418 -2.111 1.00 0.34 H new ATOM 0 HG3 PRO A 235 14.990 -6.799 -2.370 1.00 0.34 H new ATOM 0 HD2 PRO A 235 12.691 -7.687 -0.655 1.00 0.33 H new ATOM 0 HD3 PRO A 235 13.812 -6.364 -0.401 1.00 0.33 H new ATOM 1166 N ARG A 236 10.302 -7.861 -2.344 1.00 0.31 N ATOM 1167 CA ARG A 236 9.175 -8.778 -2.484 1.00 0.31 C ATOM 1168 C ARG A 236 7.826 -8.072 -2.308 1.00 0.28 C ATOM 1169 O ARG A 236 6.851 -8.693 -1.892 1.00 0.32 O ATOM 1170 CB ARG A 236 9.296 -9.952 -1.495 1.00 0.39 C ATOM 1171 CG ARG A 236 8.958 -9.616 -0.043 1.00 0.67 C ATOM 1172 CD ARG A 236 9.897 -8.578 0.551 1.00 1.04 C ATOM 1173 NE ARG A 236 11.271 -9.064 0.656 1.00 1.78 N ATOM 1174 CZ ARG A 236 12.003 -8.964 1.764 1.00 2.75 C ATOM 1175 NH1 ARG A 236 11.448 -8.518 2.882 1.00 3.36 N ATOM 1176 NH2 ARG A 236 13.275 -9.344 1.766 1.00 3.49 N ATOM 0 H ARG A 236 10.682 -7.788 -1.400 1.00 0.31 H new ATOM 0 HA ARG A 236 9.210 -9.167 -3.501 1.00 0.31 H new ATOM 0 HB2 ARG A 236 8.639 -10.756 -1.828 1.00 0.39 H new ATOM 0 HB3 ARG A 236 10.315 -10.336 -1.535 1.00 0.39 H new ATOM 0 HG2 ARG A 236 7.934 -9.247 0.012 1.00 0.67 H new ATOM 0 HG3 ARG A 236 9.002 -10.525 0.556 1.00 0.67 H new ATOM 0 HD2 ARG A 236 9.879 -7.680 -0.066 1.00 1.04 H new ATOM 0 HD3 ARG A 236 9.539 -8.292 1.540 1.00 1.04 H new ATOM 0 HE ARG A 236 11.692 -9.503 -0.163 1.00 1.78 H new ATOM 0 HH11 ARG A 236 10.463 -8.253 2.892 1.00 3.36 H new ATOM 0 HH12 ARG A 236 12.006 -8.440 3.732 1.00 3.36 H new ATOM 0 HH21 ARG A 236 13.698 -9.715 0.915 1.00 3.49 H new ATOM 0 HH22 ARG A 236 13.830 -9.265 2.618 1.00 3.49 H new ATOM 1190 N GLY A 237 7.746 -6.787 -2.637 1.00 0.23 N ATOM 1191 CA GLY A 237 6.485 -6.084 -2.478 1.00 0.20 C ATOM 1192 C GLY A 237 5.876 -5.604 -3.785 1.00 0.15 C ATOM 1193 O GLY A 237 5.136 -4.626 -3.792 1.00 0.15 O ATOM 0 H GLY A 237 8.516 -6.228 -3.004 1.00 0.23 H new ATOM 0 HA2 GLY A 237 5.774 -6.742 -1.978 1.00 0.20 H new ATOM 0 HA3 GLY A 237 6.639 -5.226 -1.824 1.00 0.20 H new ATOM 1197 N GLU A 238 6.174 -6.290 -4.889 1.00 0.16 N ATOM 1198 CA GLU A 238 5.559 -5.989 -6.189 1.00 0.15 C ATOM 1199 C GLU A 238 4.033 -6.003 -6.105 1.00 0.13 C ATOM 1200 O GLU A 238 3.353 -5.134 -6.654 1.00 0.13 O ATOM 1201 CB GLU A 238 6.016 -7.000 -7.241 1.00 0.19 C ATOM 1202 CG GLU A 238 5.508 -6.679 -8.636 1.00 1.06 C ATOM 1203 CD GLU A 238 6.012 -7.644 -9.682 1.00 1.37 C ATOM 1204 OE1 GLU A 238 7.116 -7.419 -10.224 1.00 1.74 O ATOM 1205 OE2 GLU A 238 5.311 -8.639 -9.960 1.00 1.55 O ATOM 0 H GLU A 238 6.840 -7.062 -4.912 1.00 0.16 H new ATOM 0 HA GLU A 238 5.880 -4.988 -6.477 1.00 0.15 H new ATOM 0 HB2 GLU A 238 7.105 -7.032 -7.256 1.00 0.19 H new ATOM 0 HB3 GLU A 238 5.671 -7.994 -6.955 1.00 0.19 H new ATOM 0 HG2 GLU A 238 4.418 -6.692 -8.632 1.00 1.06 H new ATOM 0 HG3 GLU A 238 5.814 -5.668 -8.905 1.00 1.06 H new ATOM 1212 N ILE A 239 3.520 -6.980 -5.384 1.00 0.12 N ATOM 1213 CA ILE A 239 2.084 -7.188 -5.275 1.00 0.12 C ATOM 1214 C ILE A 239 1.433 -6.011 -4.512 1.00 0.12 C ATOM 1215 O ILE A 239 0.284 -5.637 -4.772 1.00 0.12 O ATOM 1216 CB ILE A 239 1.803 -8.558 -4.602 1.00 0.13 C ATOM 1217 CG1 ILE A 239 0.603 -9.264 -5.251 1.00 0.18 C ATOM 1218 CG2 ILE A 239 1.606 -8.411 -3.104 1.00 0.25 C ATOM 1219 CD1 ILE A 239 -0.688 -8.486 -5.185 1.00 0.26 C ATOM 0 H ILE A 239 4.081 -7.651 -4.858 1.00 0.12 H new ATOM 0 HA ILE A 239 1.635 -7.213 -6.268 1.00 0.12 H new ATOM 0 HB ILE A 239 2.681 -9.184 -4.759 1.00 0.13 H new ATOM 0 HG12 ILE A 239 0.838 -9.467 -6.296 1.00 0.18 H new ATOM 0 HG13 ILE A 239 0.457 -10.228 -4.764 1.00 0.18 H new ATOM 0 HG21 ILE A 239 1.411 -9.389 -2.665 1.00 0.25 H new ATOM 0 HG22 ILE A 239 2.506 -7.986 -2.659 1.00 0.25 H new ATOM 0 HG23 ILE A 239 0.760 -7.752 -2.911 1.00 0.25 H new ATOM 0 HD11 ILE A 239 -1.482 -9.057 -5.666 1.00 0.26 H new ATOM 0 HD12 ILE A 239 -0.951 -8.306 -4.143 1.00 0.26 H new ATOM 0 HD13 ILE A 239 -0.565 -7.532 -5.698 1.00 0.26 H new ATOM 1231 N LEU A 240 2.202 -5.401 -3.613 1.00 0.13 N ATOM 1232 CA LEU A 240 1.739 -4.228 -2.869 1.00 0.14 C ATOM 1233 C LEU A 240 1.389 -3.100 -3.831 1.00 0.14 C ATOM 1234 O LEU A 240 0.284 -2.562 -3.811 1.00 0.14 O ATOM 1235 CB LEU A 240 2.812 -3.735 -1.892 1.00 0.18 C ATOM 1236 CG LEU A 240 2.566 -4.054 -0.418 1.00 0.24 C ATOM 1237 CD1 LEU A 240 3.518 -3.262 0.451 1.00 0.45 C ATOM 1238 CD2 LEU A 240 1.134 -3.758 -0.028 1.00 0.25 C ATOM 0 H LEU A 240 3.150 -5.698 -3.381 1.00 0.13 H new ATOM 0 HA LEU A 240 0.854 -4.522 -2.304 1.00 0.14 H new ATOM 0 HB2 LEU A 240 3.769 -4.169 -2.183 1.00 0.18 H new ATOM 0 HB3 LEU A 240 2.906 -2.654 -2.000 1.00 0.18 H new ATOM 0 HG LEU A 240 2.745 -5.118 -0.266 1.00 0.24 H new ATOM 0 HD11 LEU A 240 3.334 -3.497 1.499 1.00 0.45 H new ATOM 0 HD12 LEU A 240 4.545 -3.522 0.196 1.00 0.45 H new ATOM 0 HD13 LEU A 240 3.361 -2.196 0.285 1.00 0.45 H new ATOM 0 HD21 LEU A 240 0.988 -3.994 1.026 1.00 0.25 H new ATOM 0 HD22 LEU A 240 0.922 -2.702 -0.196 1.00 0.25 H new ATOM 0 HD23 LEU A 240 0.459 -4.364 -0.633 1.00 0.25 H new ATOM 1250 N TRP A 241 2.341 -2.778 -4.688 1.00 0.14 N ATOM 1251 CA TRP A 241 2.207 -1.690 -5.644 1.00 0.15 C ATOM 1252 C TRP A 241 1.045 -1.884 -6.597 1.00 0.15 C ATOM 1253 O TRP A 241 0.421 -0.926 -7.049 1.00 0.16 O ATOM 1254 CB TRP A 241 3.511 -1.574 -6.403 1.00 0.17 C ATOM 1255 CG TRP A 241 4.562 -1.109 -5.457 1.00 0.16 C ATOM 1256 CD1 TRP A 241 5.458 -1.883 -4.798 1.00 0.17 C ATOM 1257 CD2 TRP A 241 4.777 0.238 -5.002 1.00 0.16 C ATOM 1258 NE1 TRP A 241 6.217 -1.113 -3.965 1.00 0.17 N ATOM 1259 CE2 TRP A 241 5.830 0.191 -4.077 1.00 0.17 C ATOM 1260 CE3 TRP A 241 4.193 1.477 -5.291 1.00 0.18 C ATOM 1261 CZ2 TRP A 241 6.312 1.325 -3.434 1.00 0.18 C ATOM 1262 CZ3 TRP A 241 4.676 2.605 -4.655 1.00 0.19 C ATOM 1263 CH2 TRP A 241 5.726 2.522 -3.736 1.00 0.19 C ATOM 0 H TRP A 241 3.235 -3.266 -4.742 1.00 0.14 H new ATOM 0 HA TRP A 241 1.992 -0.770 -5.100 1.00 0.15 H new ATOM 0 HB2 TRP A 241 3.787 -2.537 -6.834 1.00 0.17 H new ATOM 0 HB3 TRP A 241 3.408 -0.872 -7.231 1.00 0.17 H new ATOM 0 HD1 TRP A 241 5.557 -2.952 -4.915 1.00 0.17 H new ATOM 0 HE1 TRP A 241 6.958 -1.458 -3.354 1.00 0.17 H new ATOM 0 HE3 TRP A 241 3.380 1.550 -5.998 1.00 0.18 H new ATOM 0 HZ2 TRP A 241 7.121 1.262 -2.721 1.00 0.18 H new ATOM 0 HZ3 TRP A 241 4.235 3.567 -4.872 1.00 0.19 H new ATOM 0 HH2 TRP A 241 6.081 3.422 -3.255 1.00 0.19 H new ATOM 1274 N SER A 242 0.773 -3.146 -6.890 1.00 0.15 N ATOM 1275 CA SER A 242 -0.321 -3.525 -7.765 1.00 0.15 C ATOM 1276 C SER A 242 -1.636 -3.037 -7.179 1.00 0.14 C ATOM 1277 O SER A 242 -2.454 -2.419 -7.863 1.00 0.14 O ATOM 1278 CB SER A 242 -0.339 -5.049 -7.913 1.00 0.16 C ATOM 1279 OG SER A 242 -1.483 -5.501 -8.621 1.00 0.24 O ATOM 0 H SER A 242 1.306 -3.936 -6.526 1.00 0.15 H new ATOM 0 HA SER A 242 -0.186 -3.070 -8.746 1.00 0.15 H new ATOM 0 HB2 SER A 242 0.562 -5.373 -8.434 1.00 0.16 H new ATOM 0 HB3 SER A 242 -0.319 -5.509 -6.925 1.00 0.16 H new ATOM 0 HG SER A 242 -1.457 -6.478 -8.696 1.00 0.24 H new ATOM 1285 N HIS A 243 -1.815 -3.301 -5.894 1.00 0.13 N ATOM 1286 CA HIS A 243 -2.996 -2.844 -5.186 1.00 0.13 C ATOM 1287 C HIS A 243 -2.957 -1.329 -5.031 1.00 0.13 C ATOM 1288 O HIS A 243 -3.988 -0.665 -5.070 1.00 0.13 O ATOM 1289 CB HIS A 243 -3.086 -3.521 -3.815 1.00 0.15 C ATOM 1290 CG HIS A 243 -4.230 -3.040 -2.974 1.00 0.15 C ATOM 1291 ND1 HIS A 243 -4.098 -2.874 -1.620 1.00 0.17 N ATOM 1292 CD2 HIS A 243 -5.495 -2.710 -3.338 1.00 0.15 C ATOM 1293 CE1 HIS A 243 -5.269 -2.451 -1.191 1.00 0.17 C ATOM 1294 NE2 HIS A 243 -6.148 -2.335 -2.194 1.00 0.17 N ATOM 0 H HIS A 243 -1.156 -3.829 -5.322 1.00 0.13 H new ATOM 0 HA HIS A 243 -3.881 -3.113 -5.763 1.00 0.13 H new ATOM 0 HB2 HIS A 243 -3.180 -4.597 -3.958 1.00 0.15 H new ATOM 0 HB3 HIS A 243 -2.154 -3.351 -3.275 1.00 0.15 H new ATOM 0 HD1 HIS A 243 -3.263 -3.043 -1.059 1.00 0.17 H new ATOM 0 HD2 HIS A 243 -5.907 -2.738 -4.336 1.00 0.15 H new ATOM 0 HE1 HIS A 243 -5.492 -2.226 -0.159 1.00 0.17 H new ATOM 1302 N LEU A 244 -1.757 -0.794 -4.890 1.00 0.13 N ATOM 1303 CA LEU A 244 -1.594 0.631 -4.655 1.00 0.12 C ATOM 1304 C LEU A 244 -1.972 1.436 -5.896 1.00 0.13 C ATOM 1305 O LEU A 244 -2.666 2.451 -5.793 1.00 0.12 O ATOM 1306 CB LEU A 244 -0.176 0.970 -4.183 1.00 0.13 C ATOM 1307 CG LEU A 244 0.127 2.465 -4.090 1.00 0.15 C ATOM 1308 CD1 LEU A 244 -0.986 3.189 -3.348 1.00 0.17 C ATOM 1309 CD2 LEU A 244 1.465 2.698 -3.405 1.00 0.17 C ATOM 0 H LEU A 244 -0.885 -1.321 -4.934 1.00 0.13 H new ATOM 0 HA LEU A 244 -2.276 0.911 -3.852 1.00 0.12 H new ATOM 0 HB2 LEU A 244 -0.017 0.519 -3.203 1.00 0.13 H new ATOM 0 HB3 LEU A 244 0.539 0.510 -4.865 1.00 0.13 H new ATOM 0 HG LEU A 244 0.185 2.867 -5.101 1.00 0.15 H new ATOM 0 HD11 LEU A 244 -0.754 4.252 -3.291 1.00 0.17 H new ATOM 0 HD12 LEU A 244 -1.927 3.051 -3.880 1.00 0.17 H new ATOM 0 HD13 LEU A 244 -1.076 2.783 -2.340 1.00 0.17 H new ATOM 0 HD21 LEU A 244 1.663 3.768 -3.348 1.00 0.17 H new ATOM 0 HD22 LEU A 244 1.436 2.280 -2.399 1.00 0.17 H new ATOM 0 HD23 LEU A 244 2.256 2.212 -3.977 1.00 0.17 H new ATOM 1321 N GLU A 245 -1.528 0.996 -7.063 1.00 0.15 N ATOM 1322 CA GLU A 245 -1.969 1.620 -8.297 1.00 0.18 C ATOM 1323 C GLU A 245 -3.488 1.554 -8.408 1.00 0.17 C ATOM 1324 O GLU A 245 -4.135 2.543 -8.719 1.00 0.21 O ATOM 1325 CB GLU A 245 -1.303 0.974 -9.508 1.00 0.25 C ATOM 1326 CG GLU A 245 0.191 1.240 -9.584 1.00 0.34 C ATOM 1327 CD GLU A 245 0.808 0.717 -10.860 1.00 0.59 C ATOM 1328 OE1 GLU A 245 0.381 1.148 -11.951 1.00 0.83 O ATOM 1329 OE2 GLU A 245 1.714 -0.141 -10.783 1.00 0.76 O ATOM 0 H GLU A 245 -0.874 0.222 -7.180 1.00 0.15 H new ATOM 0 HA GLU A 245 -1.670 2.668 -8.278 1.00 0.18 H new ATOM 0 HB2 GLU A 245 -1.472 -0.102 -9.476 1.00 0.25 H new ATOM 0 HB3 GLU A 245 -1.778 1.345 -10.416 1.00 0.25 H new ATOM 0 HG2 GLU A 245 0.370 2.313 -9.511 1.00 0.34 H new ATOM 0 HG3 GLU A 245 0.683 0.776 -8.729 1.00 0.34 H new ATOM 1336 N LEU A 246 -4.044 0.392 -8.089 1.00 0.16 N ATOM 1337 CA LEU A 246 -5.494 0.184 -8.124 1.00 0.16 C ATOM 1338 C LEU A 246 -6.207 1.073 -7.098 1.00 0.16 C ATOM 1339 O LEU A 246 -7.302 1.569 -7.362 1.00 0.17 O ATOM 1340 CB LEU A 246 -5.817 -1.292 -7.879 1.00 0.17 C ATOM 1341 CG LEU A 246 -7.288 -1.682 -8.004 1.00 0.21 C ATOM 1342 CD1 LEU A 246 -7.711 -1.678 -9.460 1.00 0.30 C ATOM 1343 CD2 LEU A 246 -7.529 -3.047 -7.379 1.00 0.22 C ATOM 0 H LEU A 246 -3.512 -0.429 -7.801 1.00 0.16 H new ATOM 0 HA LEU A 246 -5.857 0.465 -9.112 1.00 0.16 H new ATOM 0 HB2 LEU A 246 -5.241 -1.892 -8.583 1.00 0.17 H new ATOM 0 HB3 LEU A 246 -5.474 -1.558 -6.879 1.00 0.17 H new ATOM 0 HG LEU A 246 -7.891 -0.949 -7.468 1.00 0.21 H new ATOM 0 HD11 LEU A 246 -8.762 -1.958 -9.534 1.00 0.30 H new ATOM 0 HD12 LEU A 246 -7.571 -0.681 -9.877 1.00 0.30 H new ATOM 0 HD13 LEU A 246 -7.105 -2.393 -10.017 1.00 0.30 H new ATOM 0 HD21 LEU A 246 -8.582 -3.311 -7.476 1.00 0.22 H new ATOM 0 HD22 LEU A 246 -6.919 -3.793 -7.889 1.00 0.22 H new ATOM 0 HD23 LEU A 246 -7.258 -3.017 -6.324 1.00 0.22 H new ATOM 1355 N LEU A 247 -5.589 1.272 -5.946 1.00 0.17 N ATOM 1356 CA LEU A 247 -6.065 2.256 -4.975 1.00 0.16 C ATOM 1357 C LEU A 247 -6.217 3.629 -5.624 1.00 0.17 C ATOM 1358 O LEU A 247 -7.319 4.171 -5.688 1.00 0.19 O ATOM 1359 CB LEU A 247 -5.100 2.365 -3.788 1.00 0.15 C ATOM 1360 CG LEU A 247 -5.072 1.168 -2.833 1.00 0.15 C ATOM 1361 CD1 LEU A 247 -3.937 1.319 -1.832 1.00 0.15 C ATOM 1362 CD2 LEU A 247 -6.399 1.037 -2.103 1.00 0.19 C ATOM 0 H LEU A 247 -4.753 0.765 -5.655 1.00 0.17 H new ATOM 0 HA LEU A 247 -7.037 1.918 -4.616 1.00 0.16 H new ATOM 0 HB2 LEU A 247 -4.093 2.518 -4.177 1.00 0.15 H new ATOM 0 HB3 LEU A 247 -5.359 3.255 -3.215 1.00 0.15 H new ATOM 0 HG LEU A 247 -4.907 0.264 -3.419 1.00 0.15 H new ATOM 0 HD11 LEU A 247 -3.929 0.461 -1.159 1.00 0.15 H new ATOM 0 HD12 LEU A 247 -2.987 1.372 -2.364 1.00 0.15 H new ATOM 0 HD13 LEU A 247 -4.081 2.232 -1.254 1.00 0.15 H new ATOM 0 HD21 LEU A 247 -6.361 0.181 -1.429 1.00 0.19 H new ATOM 0 HD22 LEU A 247 -6.589 1.943 -1.528 1.00 0.19 H new ATOM 0 HD23 LEU A 247 -7.200 0.892 -2.828 1.00 0.19 H new ATOM 1374 N ARG A 248 -5.138 4.175 -6.142 1.00 0.18 N ATOM 1375 CA ARG A 248 -5.189 5.541 -6.647 1.00 0.22 C ATOM 1376 C ARG A 248 -5.894 5.616 -8.007 1.00 0.23 C ATOM 1377 O ARG A 248 -6.258 6.699 -8.468 1.00 0.36 O ATOM 1378 CB ARG A 248 -3.790 6.155 -6.704 1.00 0.25 C ATOM 1379 CG ARG A 248 -2.912 5.636 -7.828 1.00 0.28 C ATOM 1380 CD ARG A 248 -1.477 6.115 -7.663 1.00 0.27 C ATOM 1381 NE ARG A 248 -1.413 7.482 -7.135 1.00 1.21 N ATOM 1382 CZ ARG A 248 -0.391 8.317 -7.320 1.00 1.50 C ATOM 1383 NH1 ARG A 248 0.640 7.968 -8.081 1.00 1.09 N ATOM 1384 NH2 ARG A 248 -0.414 9.509 -6.744 1.00 2.49 N ATOM 0 H ARG A 248 -4.233 3.713 -6.226 1.00 0.18 H new ATOM 0 HA ARG A 248 -5.783 6.130 -5.948 1.00 0.22 H new ATOM 0 HB2 ARG A 248 -3.887 7.236 -6.807 1.00 0.25 H new ATOM 0 HB3 ARG A 248 -3.288 5.969 -5.754 1.00 0.25 H new ATOM 0 HG2 ARG A 248 -2.937 4.546 -7.840 1.00 0.28 H new ATOM 0 HG3 ARG A 248 -3.304 5.974 -8.787 1.00 0.28 H new ATOM 0 HD2 ARG A 248 -0.945 5.441 -6.992 1.00 0.27 H new ATOM 0 HD3 ARG A 248 -0.968 6.074 -8.626 1.00 0.27 H new ATOM 0 HE ARG A 248 -2.206 7.817 -6.588 1.00 1.21 H new ATOM 0 HH11 ARG A 248 0.655 7.053 -8.531 1.00 1.09 H new ATOM 0 HH12 ARG A 248 1.417 8.615 -8.216 1.00 1.09 H new ATOM 0 HH21 ARG A 248 -1.209 9.780 -6.165 1.00 2.49 H new ATOM 0 HH22 ARG A 248 0.363 10.156 -6.879 1.00 2.49 H new ATOM 1398 N LYS A 249 -6.099 4.464 -8.632 1.00 0.21 N ATOM 1399 CA LYS A 249 -6.836 4.391 -9.896 1.00 0.25 C ATOM 1400 C LYS A 249 -8.344 4.439 -9.673 1.00 0.20 C ATOM 1401 O LYS A 249 -9.059 5.176 -10.349 1.00 0.25 O ATOM 1402 CB LYS A 249 -6.487 3.111 -10.658 1.00 0.33 C ATOM 1403 CG LYS A 249 -5.166 3.179 -11.411 1.00 0.44 C ATOM 1404 CD LYS A 249 -5.183 4.246 -12.497 1.00 1.04 C ATOM 1405 CE LYS A 249 -6.274 3.983 -13.522 1.00 1.12 C ATOM 1406 NZ LYS A 249 -6.234 4.957 -14.642 1.00 1.32 N ATOM 0 H LYS A 249 -5.766 3.564 -8.287 1.00 0.21 H new ATOM 0 HA LYS A 249 -6.540 5.260 -10.484 1.00 0.25 H new ATOM 0 HB2 LYS A 249 -6.449 2.280 -9.954 1.00 0.33 H new ATOM 0 HB3 LYS A 249 -7.286 2.893 -11.366 1.00 0.33 H new ATOM 0 HG2 LYS A 249 -4.359 3.389 -10.709 1.00 0.44 H new ATOM 0 HG3 LYS A 249 -4.954 2.208 -11.860 1.00 0.44 H new ATOM 0 HD2 LYS A 249 -5.337 5.225 -12.044 1.00 1.04 H new ATOM 0 HD3 LYS A 249 -4.214 4.274 -12.995 1.00 1.04 H new ATOM 0 HE2 LYS A 249 -6.164 2.973 -13.916 1.00 1.12 H new ATOM 0 HE3 LYS A 249 -7.248 4.031 -13.035 1.00 1.12 H new ATOM 0 HZ1 LYS A 249 -6.995 4.741 -15.317 1.00 1.32 H new ATOM 0 HZ2 LYS A 249 -6.364 5.919 -14.270 1.00 1.32 H new ATOM 0 HZ3 LYS A 249 -5.315 4.894 -15.124 1.00 1.32 H new ATOM 1420 N TYR A 250 -8.814 3.684 -8.696 1.00 0.24 N ATOM 1421 CA TYR A 250 -10.251 3.477 -8.510 1.00 0.41 C ATOM 1422 C TYR A 250 -10.805 4.383 -7.423 1.00 0.49 C ATOM 1423 O TYR A 250 -11.514 3.935 -6.519 1.00 0.58 O ATOM 1424 CB TYR A 250 -10.564 2.017 -8.168 1.00 0.51 C ATOM 1425 CG TYR A 250 -10.618 1.071 -9.348 1.00 0.50 C ATOM 1426 CD1 TYR A 250 -10.200 1.459 -10.617 1.00 1.05 C ATOM 1427 CD2 TYR A 250 -11.102 -0.222 -9.184 1.00 0.64 C ATOM 1428 CE1 TYR A 250 -10.261 0.584 -11.685 1.00 1.05 C ATOM 1429 CE2 TYR A 250 -11.165 -1.101 -10.248 1.00 0.69 C ATOM 1430 CZ TYR A 250 -10.744 -0.694 -11.495 1.00 0.54 C ATOM 1431 OH TYR A 250 -10.800 -1.567 -12.556 1.00 0.59 O ATOM 0 H TYR A 250 -8.227 3.201 -8.016 1.00 0.24 H new ATOM 0 HA TYR A 250 -10.732 3.728 -9.455 1.00 0.41 H new ATOM 0 HB2 TYR A 250 -9.810 1.656 -7.469 1.00 0.51 H new ATOM 0 HB3 TYR A 250 -11.523 1.980 -7.650 1.00 0.51 H new ATOM 0 HD1 TYR A 250 -9.822 2.459 -10.770 1.00 1.05 H new ATOM 0 HD2 TYR A 250 -11.434 -0.545 -8.208 1.00 0.64 H new ATOM 0 HE1 TYR A 250 -9.932 0.899 -12.664 1.00 1.05 H new ATOM 0 HE2 TYR A 250 -11.542 -2.102 -10.103 1.00 0.69 H new ATOM 0 HH TYR A 250 -11.163 -2.426 -12.254 1.00 0.59 H new ATOM 1441 N VAL A 251 -10.484 5.662 -7.524 1.00 0.55 N ATOM 1442 CA VAL A 251 -11.018 6.667 -6.620 1.00 0.76 C ATOM 1443 C VAL A 251 -10.701 8.070 -7.151 1.00 0.83 C ATOM 1444 O VAL A 251 -10.977 9.075 -6.498 1.00 1.07 O ATOM 1445 CB VAL A 251 -10.411 6.495 -5.211 1.00 1.13 C ATOM 1446 CG1 VAL A 251 -8.951 6.902 -5.213 1.00 0.86 C ATOM 1447 CG2 VAL A 251 -11.186 7.270 -4.158 1.00 1.95 C ATOM 0 H VAL A 251 -9.849 6.032 -8.231 1.00 0.55 H new ATOM 0 HA VAL A 251 -12.099 6.542 -6.558 1.00 0.76 H new ATOM 0 HB VAL A 251 -10.482 5.439 -4.949 1.00 1.13 H new ATOM 0 HG11 VAL A 251 -8.537 6.775 -4.213 1.00 0.86 H new ATOM 0 HG12 VAL A 251 -8.400 6.277 -5.916 1.00 0.86 H new ATOM 0 HG13 VAL A 251 -8.865 7.947 -5.512 1.00 0.86 H new ATOM 0 HG21 VAL A 251 -10.724 7.120 -3.182 1.00 1.95 H new ATOM 0 HG22 VAL A 251 -11.175 8.331 -4.406 1.00 1.95 H new ATOM 0 HG23 VAL A 251 -12.216 6.915 -4.130 1.00 1.95 H new ATOM 1457 N LEU A 252 -10.129 8.120 -8.358 1.00 1.23 N ATOM 1458 CA LEU A 252 -9.597 9.361 -8.929 1.00 2.17 C ATOM 1459 C LEU A 252 -8.499 9.947 -8.042 1.00 3.19 C ATOM 1460 O LEU A 252 -8.270 11.158 -8.035 1.00 3.99 O ATOM 1461 CB LEU A 252 -10.709 10.392 -9.162 1.00 2.05 C ATOM 1462 CG LEU A 252 -11.743 10.003 -10.221 1.00 2.25 C ATOM 1463 CD1 LEU A 252 -12.790 11.095 -10.367 1.00 2.35 C ATOM 1464 CD2 LEU A 252 -11.064 9.735 -11.557 1.00 2.64 C ATOM 0 H LEU A 252 -10.022 7.306 -8.964 1.00 1.23 H new ATOM 0 HA LEU A 252 -9.160 9.114 -9.897 1.00 2.17 H new ATOM 0 HB2 LEU A 252 -11.226 10.565 -8.218 1.00 2.05 H new ATOM 0 HB3 LEU A 252 -10.251 11.337 -9.453 1.00 2.05 H new ATOM 0 HG LEU A 252 -12.240 9.088 -9.898 1.00 2.25 H new ATOM 0 HD11 LEU A 252 -13.518 10.803 -11.124 1.00 2.35 H new ATOM 0 HD12 LEU A 252 -13.297 11.242 -9.414 1.00 2.35 H new ATOM 0 HD13 LEU A 252 -12.307 12.024 -10.668 1.00 2.35 H new ATOM 0 HD21 LEU A 252 -11.815 9.460 -12.298 1.00 2.64 H new ATOM 0 HD22 LEU A 252 -10.541 10.633 -11.886 1.00 2.64 H new ATOM 0 HD23 LEU A 252 -10.349 8.920 -11.445 1.00 2.64 H new ATOM 1476 N ALA A 253 -7.819 9.053 -7.320 1.00 3.24 N ATOM 1477 CA ALA A 253 -6.708 9.397 -6.431 1.00 4.18 C ATOM 1478 C ALA A 253 -7.127 10.348 -5.308 1.00 4.09 C ATOM 1479 O ALA A 253 -6.993 11.566 -5.426 1.00 4.94 O ATOM 1480 CB ALA A 253 -5.547 9.975 -7.229 1.00 4.92 C ATOM 0 H ALA A 253 -8.028 8.055 -7.337 1.00 3.24 H new ATOM 0 HA ALA A 253 -6.382 8.474 -5.952 1.00 4.18 H new ATOM 0 HB1 ALA A 253 -4.730 10.225 -6.553 1.00 4.92 H new ATOM 0 HB2 ALA A 253 -5.204 9.240 -7.957 1.00 4.92 H new ATOM 0 HB3 ALA A 253 -5.875 10.874 -7.750 1.00 4.92 H new ATOM 1486 N SER A 254 -7.632 9.779 -4.215 1.00 3.08 N ATOM 1487 CA SER A 254 -7.967 10.562 -3.034 1.00 2.81 C ATOM 1488 C SER A 254 -7.899 9.692 -1.782 1.00 3.53 C ATOM 1489 O SER A 254 -6.835 9.672 -1.129 1.00 3.77 O ATOM 1490 CB SER A 254 -9.354 11.202 -3.176 1.00 3.46 C ATOM 1491 OG SER A 254 -10.372 10.221 -3.244 1.00 3.67 O ATOM 1492 OXT SER A 254 -8.899 9.017 -1.468 1.00 4.31 O ATOM 0 H SER A 254 -7.817 8.780 -4.126 1.00 3.08 H new ATOM 0 HA SER A 254 -7.236 11.364 -2.937 1.00 2.81 H new ATOM 0 HB2 SER A 254 -9.540 11.863 -2.329 1.00 3.46 H new ATOM 0 HB3 SER A 254 -9.381 11.819 -4.074 1.00 3.46 H new ATOM 0 HG SER A 254 -10.219 9.542 -2.554 1.00 3.67 H new TER 1498 SER A 254