USER MOD reduce.3.24.130724 H: found=0, std=0, add=1328, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1330 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 54 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 130 LYS NZ :NH3+ 173:sc= 0.71 (180deg=-0.364) USER MOD Set 2.2: A 132 TYR OH : rot 180:sc= 0.796 USER MOD Set 3.1: A 104 GLN : amide:sc= -1.71! C(o=-2.6!,f=-6.1!) USER MOD Set 3.2: A 129 ASN : amide:sc= -0.924 K(o=-2.6,f=-2.1) USER MOD Set 4.1: A 125 LYS NZ :NH3+ 168:sc= 1.15 (180deg=-0.0522) USER MOD Set 4.2: A 127 SER OG : rot -1:sc= 0.646! USER MOD Set 5.1: A 105 SER OG : rot 180:sc= 0.808 USER MOD Set 5.2: A 124 GLN : amide:sc= 0.825 X(o=3.3,f=3.4) USER MOD Set 5.3: A 126 THR OG1 : rot 136:sc= 1.65 USER MOD Set 6.1: A 96 ASN : amide:sc= 0.746 K(o=2,f=-1.1!) USER MOD Set 6.2: A 99 SER OG : rot 102:sc= 1.23 USER MOD Set 7.1: A 51 MET CE :methyl 155:sc= -0.989 (180deg=-1.98!) USER MOD Set 7.2: A 169 SER OG : rot 29:sc= -0.405 USER MOD Single : A 15 SER OG : rot -170:sc= -0.0947 USER MOD Single : A 19 GLN : amide:sc= -0.305 K(o=-0.31,f=-7.3!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 28 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.059) USER MOD Single : A 39 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.4) USER MOD Single : A 42 GLN : amide:sc= -1.52! C(o=-1.5!,f=-7.7!) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 1.29 (180deg=0.887) USER MOD Single : A 46 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.036) USER MOD Single : A 47 SER OG : rot 52:sc= 1.18 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -57:sc= -0.061 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.954 X(o=-0.95,f=-0.69) USER MOD Single : A 62 ASN : amide:sc= -0.985 X(o=-0.98,f=-1.1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 158:sc= -0.971 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -76:sc= 0.837 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.25! C(o=-1.3!,f=-10!) USER MOD Single : A 93 THR OG1 : rot 85:sc= -0.478 USER MOD Single : A 98 HIS : no HD1:sc= -3.26! K(o=-3.3!,f=-0.32) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= -1.41! USER MOD Single : A 109 GLN : amide:sc= -3.03 K(o=-3,f=-6!) USER MOD Single : A 113 THR OG1 : rot 19:sc= 0.254 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.29) USER MOD Single : A 120 MET CE :methyl 165:sc= -5.18! (180deg=-7.2!) USER MOD Single : A 131 GLN : amide:sc= -0.19 K(o=-0.19,f=-3.8!) USER MOD Single : A 134 LYS NZ :NH3+ 175:sc= 1.04 (180deg=1.02) USER MOD Single : A 136 THR OG1 : rot -137:sc= 0.0482 USER MOD Single : A 141 THR OG1 : rot -48:sc= 0.665 USER MOD Single : A 142 LYS NZ :NH3+ 179:sc= -0.656 (180deg=-0.816) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ -161:sc= 0.071 (180deg=0.0239) USER MOD Single : A 154 SER OG : rot 68:sc= 1.24 USER MOD Single : A 157 LYS NZ :NH3+ -149:sc= 0.967 (180deg=-0.434!) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 162:sc= -3.4! (180deg=-3.78!) USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 165 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 172 THR OG1 : rot 122:sc= -2.93! USER MOD Single : A 174 GLN : amide:sc= -3.72! C(o=-3.7!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 -17.209 8.107 -0.442 1.00 0.58 N ATOM 89 CA LEU A 7 -15.999 8.043 0.340 1.00 0.51 C ATOM 90 C LEU A 7 -16.314 7.407 1.683 1.00 0.45 C ATOM 91 O LEU A 7 -17.286 7.765 2.348 1.00 0.49 O ATOM 92 CB LEU A 7 -15.371 9.435 0.513 1.00 0.52 C ATOM 93 CG LEU A 7 -16.294 10.505 1.092 1.00 0.80 C ATOM 94 CD1 LEU A 7 -16.136 10.582 2.601 1.00 1.73 C ATOM 95 CD2 LEU A 7 -16.019 11.847 0.434 1.00 1.08 C ATOM 0 HA LEU A 7 -15.264 7.431 -0.183 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -14.499 9.343 1.160 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -15.012 9.776 -0.458 1.00 0.52 H new ATOM 0 HG LEU A 7 -17.329 10.234 0.881 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -16.801 11.349 2.998 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -16.389 9.618 3.043 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -15.104 10.834 2.846 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -16.683 12.602 0.855 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -14.983 12.135 0.613 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -16.193 11.769 -0.639 1.00 1.08 H new ATOM 107 N ILE A 8 -15.528 6.422 2.042 1.00 0.43 N ATOM 108 CA ILE A 8 -15.609 5.826 3.352 1.00 0.40 C ATOM 109 C ILE A 8 -14.786 6.661 4.285 1.00 0.40 C ATOM 110 O ILE A 8 -13.750 7.175 3.877 1.00 0.62 O ATOM 111 CB ILE A 8 -15.105 4.357 3.337 1.00 0.41 C ATOM 112 CG1 ILE A 8 -16.291 3.399 3.206 1.00 0.48 C ATOM 113 CG2 ILE A 8 -14.242 4.012 4.562 1.00 0.67 C ATOM 114 CD1 ILE A 8 -15.881 1.971 2.931 1.00 0.47 C ATOM 0 H ILE A 8 -14.817 6.012 1.437 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.647 5.798 3.682 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.456 4.242 2.469 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -16.877 3.430 4.124 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.940 3.744 2.401 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -13.918 2.973 4.498 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -13.369 4.664 4.587 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -14.827 4.154 5.471 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.771 1.346 2.850 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -15.320 1.927 1.997 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -15.256 1.608 3.747 1.00 0.47 H new ATOM 126 N PRO A 9 -15.280 6.801 5.525 1.00 0.31 N ATOM 127 CA PRO A 9 -14.663 7.521 6.627 1.00 0.28 C ATOM 128 C PRO A 9 -13.211 7.905 6.380 1.00 0.32 C ATOM 129 O PRO A 9 -12.302 7.250 6.875 1.00 0.38 O ATOM 130 CB PRO A 9 -14.787 6.435 7.684 1.00 0.31 C ATOM 131 CG PRO A 9 -16.146 5.842 7.439 1.00 0.35 C ATOM 132 CD PRO A 9 -16.505 6.168 6.006 1.00 0.35 C ATOM 0 HA PRO A 9 -15.115 8.487 6.854 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -14.001 5.687 7.582 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.707 6.846 8.690 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -16.134 4.764 7.600 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.881 6.259 8.128 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.755 5.274 5.434 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.363 6.837 5.942 1.00 0.35 H new ATOM 140 N ALA A 10 -13.018 8.983 5.623 1.00 0.36 N ATOM 141 CA ALA A 10 -11.716 9.311 5.061 1.00 0.44 C ATOM 142 C ALA A 10 -10.842 10.083 6.042 1.00 0.42 C ATOM 143 O ALA A 10 -11.085 11.263 6.316 1.00 0.53 O ATOM 144 CB ALA A 10 -11.884 10.100 3.765 1.00 0.62 C ATOM 0 H ALA A 10 -13.755 9.647 5.385 1.00 0.36 H new ATOM 0 HA ALA A 10 -11.208 8.370 4.848 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -10.903 10.339 3.355 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -12.443 9.502 3.045 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.427 11.023 3.969 1.00 0.62 H new ATOM 150 N PRO A 11 -9.819 9.415 6.588 1.00 0.35 N ATOM 151 CA PRO A 11 -8.826 10.011 7.458 1.00 0.35 C ATOM 152 C PRO A 11 -7.634 10.507 6.657 1.00 0.39 C ATOM 153 O PRO A 11 -7.152 9.820 5.756 1.00 0.45 O ATOM 154 CB PRO A 11 -8.410 8.839 8.371 1.00 0.35 C ATOM 155 CG PRO A 11 -9.046 7.616 7.784 1.00 0.41 C ATOM 156 CD PRO A 11 -9.541 7.999 6.420 1.00 0.38 C ATOM 0 HA PRO A 11 -9.203 10.875 8.006 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.325 8.737 8.406 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.748 9.002 9.394 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -8.327 6.799 7.719 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.868 7.269 8.410 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.792 7.819 5.648 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.432 7.439 6.137 1.00 0.38 H new ATOM 164 N PRO A 12 -7.164 11.717 6.949 1.00 0.42 N ATOM 165 CA PRO A 12 -5.978 12.271 6.322 1.00 0.46 C ATOM 166 C PRO A 12 -4.713 11.587 6.812 1.00 0.44 C ATOM 167 O PRO A 12 -4.751 10.820 7.779 1.00 0.41 O ATOM 168 CB PRO A 12 -5.976 13.752 6.726 1.00 0.50 C ATOM 169 CG PRO A 12 -7.287 13.987 7.409 1.00 0.55 C ATOM 170 CD PRO A 12 -7.747 12.650 7.917 1.00 0.48 C ATOM 0 HA PRO A 12 -5.996 12.130 5.241 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -5.142 13.975 7.392 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -5.868 14.396 5.853 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -7.176 14.697 8.229 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -8.015 14.411 6.717 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.391 12.458 8.929 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.834 12.579 7.943 1.00 0.48 H new ATOM 178 N LEU A 13 -3.613 11.856 6.135 1.00 0.50 N ATOM 179 CA LEU A 13 -2.290 11.372 6.532 1.00 0.51 C ATOM 180 C LEU A 13 -2.105 11.554 8.032 1.00 0.49 C ATOM 181 O LEU A 13 -1.534 10.724 8.729 1.00 0.48 O ATOM 182 CB LEU A 13 -1.254 12.224 5.787 1.00 0.61 C ATOM 183 CG LEU A 13 0.200 11.724 5.767 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.804 11.723 7.159 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.290 10.338 5.139 1.00 0.74 C ATOM 0 H LEU A 13 -3.605 12.421 5.286 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.177 10.315 6.292 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.587 12.330 4.754 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -1.260 13.221 6.228 1.00 0.61 H new ATOM 0 HG LEU A 13 0.778 12.416 5.154 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.832 11.364 7.109 1.00 0.50 H new ATOM 0 HD12 LEU A 13 0.792 12.736 7.561 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.222 11.068 7.808 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.328 10.006 5.136 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.313 9.637 5.716 1.00 0.74 H new ATOM 0 HD23 LEU A 13 -0.081 10.378 4.115 1.00 0.74 H new ATOM 197 N ILE A 14 -2.656 12.633 8.512 1.00 0.52 N ATOM 198 CA ILE A 14 -2.465 13.081 9.869 1.00 0.56 C ATOM 199 C ILE A 14 -3.126 12.151 10.898 1.00 0.54 C ATOM 200 O ILE A 14 -3.058 12.403 12.101 1.00 0.61 O ATOM 201 CB ILE A 14 -3.035 14.503 9.979 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.570 14.467 9.998 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.538 15.312 8.783 1.00 0.65 C ATOM 204 CD1 ILE A 14 -5.218 15.806 9.730 1.00 1.05 C ATOM 0 H ILE A 14 -3.264 13.240 7.962 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.399 13.070 10.097 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.701 14.965 10.908 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.916 13.751 9.252 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.903 14.101 10.969 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.932 16.327 8.841 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.449 15.344 8.793 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.879 14.843 7.860 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -6.302 15.698 9.760 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.903 16.521 10.490 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.916 16.166 8.746 1.00 1.05 H new ATOM 216 N SER A 15 -3.776 11.089 10.426 1.00 0.46 N ATOM 217 CA SER A 15 -4.364 10.099 11.319 1.00 0.46 C ATOM 218 C SER A 15 -3.447 8.889 11.475 1.00 0.46 C ATOM 219 O SER A 15 -3.569 8.130 12.439 1.00 0.51 O ATOM 220 CB SER A 15 -5.735 9.653 10.800 1.00 0.42 C ATOM 221 OG SER A 15 -6.557 10.779 10.535 1.00 0.92 O ATOM 0 H SER A 15 -3.907 10.894 9.433 1.00 0.46 H new ATOM 0 HA SER A 15 -4.490 10.565 12.296 1.00 0.46 H new ATOM 0 HB2 SER A 15 -5.612 9.063 9.892 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.217 9.009 11.536 1.00 0.42 H new ATOM 0 HG SER A 15 -7.473 10.480 10.357 1.00 0.92 H new ATOM 227 N VAL A 16 -2.514 8.719 10.545 1.00 0.43 N ATOM 228 CA VAL A 16 -1.660 7.540 10.547 1.00 0.43 C ATOM 229 C VAL A 16 -0.356 7.788 11.304 1.00 0.45 C ATOM 230 O VAL A 16 0.309 8.809 11.111 1.00 0.50 O ATOM 231 CB VAL A 16 -1.345 7.043 9.108 1.00 0.45 C ATOM 232 CG1 VAL A 16 -0.563 8.068 8.292 1.00 0.54 C ATOM 233 CG2 VAL A 16 -0.584 5.728 9.164 1.00 0.45 C ATOM 0 H VAL A 16 -2.332 9.377 9.787 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.221 6.760 11.063 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.300 6.894 8.604 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.370 7.669 7.296 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.144 8.987 8.209 1.00 0.54 H new ATOM 0 HG13 VAL A 16 0.384 8.281 8.787 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -0.369 5.389 8.151 1.00 0.45 H new ATOM 0 HG22 VAL A 16 0.351 5.872 9.705 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.188 4.979 9.676 1.00 0.45 H new ATOM 243 N PRO A 17 0.003 6.862 12.212 1.00 0.46 N ATOM 244 CA PRO A 17 1.299 6.876 12.889 1.00 0.50 C ATOM 245 C PRO A 17 2.434 6.615 11.905 1.00 0.43 C ATOM 246 O PRO A 17 2.212 6.089 10.814 1.00 0.48 O ATOM 247 CB PRO A 17 1.205 5.732 13.908 1.00 0.59 C ATOM 248 CG PRO A 17 -0.245 5.394 13.995 1.00 0.53 C ATOM 249 CD PRO A 17 -0.831 5.736 12.658 1.00 0.50 C ATOM 0 HA PRO A 17 1.510 7.840 13.352 1.00 0.50 H new ATOM 0 HB2 PRO A 17 1.790 4.871 13.586 1.00 0.59 H new ATOM 0 HB3 PRO A 17 1.596 6.038 14.879 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -0.386 4.338 14.224 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.730 5.960 14.790 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -0.778 4.895 11.967 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.881 6.018 12.737 1.00 0.50 H new ATOM 257 N LEU A 18 3.645 6.974 12.291 1.00 0.42 N ATOM 258 CA LEU A 18 4.787 6.857 11.402 1.00 0.38 C ATOM 259 C LEU A 18 5.898 6.035 12.037 1.00 0.33 C ATOM 260 O LEU A 18 6.026 5.986 13.261 1.00 0.35 O ATOM 261 CB LEU A 18 5.311 8.255 11.047 1.00 0.46 C ATOM 262 CG LEU A 18 6.653 8.286 10.309 1.00 0.63 C ATOM 263 CD1 LEU A 18 6.560 7.536 8.991 1.00 1.15 C ATOM 264 CD2 LEU A 18 7.108 9.717 10.080 1.00 1.07 C ATOM 0 H LEU A 18 3.863 7.349 13.214 1.00 0.42 H new ATOM 0 HA LEU A 18 4.463 6.345 10.496 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.565 8.758 10.431 1.00 0.46 H new ATOM 0 HB3 LEU A 18 5.408 8.832 11.966 1.00 0.46 H new ATOM 0 HG LEU A 18 7.395 7.788 10.933 1.00 0.63 H new ATOM 0 HD11 LEU A 18 7.524 7.571 8.484 1.00 1.15 H new ATOM 0 HD12 LEU A 18 6.287 6.498 9.182 1.00 1.15 H new ATOM 0 HD13 LEU A 18 5.802 8.000 8.361 1.00 1.15 H new ATOM 0 HD21 LEU A 18 8.063 9.715 9.555 1.00 1.07 H new ATOM 0 HD22 LEU A 18 6.365 10.244 9.481 1.00 1.07 H new ATOM 0 HD23 LEU A 18 7.223 10.220 11.040 1.00 1.07 H new ATOM 276 N GLN A 19 6.674 5.368 11.189 1.00 0.36 N ATOM 277 CA GLN A 19 7.923 4.764 11.608 1.00 0.47 C ATOM 278 C GLN A 19 8.934 5.890 11.826 1.00 0.62 C ATOM 279 O GLN A 19 9.484 6.440 10.869 1.00 0.68 O ATOM 280 CB GLN A 19 8.418 3.744 10.567 1.00 0.49 C ATOM 281 CG GLN A 19 9.763 3.139 10.909 1.00 1.04 C ATOM 282 CD GLN A 19 9.684 2.157 12.060 1.00 2.08 C ATOM 283 OE1 GLN A 19 8.674 1.475 12.239 1.00 2.68 O ATOM 284 NE2 GLN A 19 10.732 2.097 12.862 1.00 2.93 N ATOM 0 H GLN A 19 6.453 5.234 10.202 1.00 0.36 H new ATOM 0 HA GLN A 19 7.786 4.210 12.537 1.00 0.47 H new ATOM 0 HB2 GLN A 19 7.682 2.945 10.474 1.00 0.49 H new ATOM 0 HB3 GLN A 19 8.484 4.232 9.594 1.00 0.49 H new ATOM 0 HG2 GLN A 19 10.163 2.632 10.031 1.00 1.04 H new ATOM 0 HG3 GLN A 19 10.462 3.936 11.163 1.00 1.04 H new ATOM 0 HE21 GLN A 19 11.549 2.679 12.678 1.00 2.93 H new ATOM 0 HE22 GLN A 19 10.724 1.468 13.665 1.00 2.93 H new ATOM 293 N PRO A 20 9.169 6.248 13.099 1.00 0.92 N ATOM 294 CA PRO A 20 9.804 7.519 13.478 1.00 1.20 C ATOM 295 C PRO A 20 11.190 7.726 12.889 1.00 1.19 C ATOM 296 O PRO A 20 12.084 6.892 13.058 1.00 1.36 O ATOM 297 CB PRO A 20 9.888 7.443 15.003 1.00 1.58 C ATOM 298 CG PRO A 20 8.883 6.420 15.399 1.00 1.65 C ATOM 299 CD PRO A 20 8.855 5.426 14.279 1.00 1.15 C ATOM 0 HA PRO A 20 9.225 8.361 13.097 1.00 1.20 H new ATOM 0 HB2 PRO A 20 10.889 7.158 15.328 1.00 1.58 H new ATOM 0 HB3 PRO A 20 9.667 8.409 15.458 1.00 1.58 H new ATOM 0 HG2 PRO A 20 9.159 5.943 16.339 1.00 1.65 H new ATOM 0 HG3 PRO A 20 7.902 6.871 15.547 1.00 1.65 H new ATOM 0 HD2 PRO A 20 9.588 4.633 14.425 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.880 4.947 14.189 1.00 1.15 H new ATOM 307 N GLY A 21 11.350 8.865 12.218 1.00 1.32 N ATOM 308 CA GLY A 21 12.635 9.261 11.667 1.00 1.38 C ATOM 309 C GLY A 21 13.257 8.212 10.774 1.00 1.06 C ATOM 310 O GLY A 21 14.459 7.960 10.853 1.00 1.29 O ATOM 0 H GLY A 21 10.597 9.531 12.044 1.00 1.32 H new ATOM 0 HA2 GLY A 21 12.509 10.183 11.099 1.00 1.38 H new ATOM 0 HA3 GLY A 21 13.320 9.482 12.486 1.00 1.38 H new ATOM 314 N PHE A 22 12.452 7.592 9.930 1.00 0.69 N ATOM 315 CA PHE A 22 12.963 6.569 9.039 1.00 0.51 C ATOM 316 C PHE A 22 13.620 7.214 7.823 1.00 0.51 C ATOM 317 O PHE A 22 13.395 8.392 7.543 1.00 0.68 O ATOM 318 CB PHE A 22 11.848 5.620 8.623 1.00 0.71 C ATOM 319 CG PHE A 22 12.308 4.198 8.508 1.00 1.19 C ATOM 320 CD1 PHE A 22 13.248 3.690 9.392 1.00 2.08 C ATOM 321 CD2 PHE A 22 11.810 3.372 7.521 1.00 0.91 C ATOM 322 CE1 PHE A 22 13.677 2.382 9.292 1.00 2.66 C ATOM 323 CE2 PHE A 22 12.237 2.063 7.416 1.00 1.43 C ATOM 324 CZ PHE A 22 13.169 1.566 8.303 1.00 2.32 C ATOM 0 H PHE A 22 11.453 7.777 9.844 1.00 0.69 H new ATOM 0 HA PHE A 22 13.718 5.986 9.565 1.00 0.51 H new ATOM 0 HB2 PHE A 22 11.038 5.677 9.350 1.00 0.71 H new ATOM 0 HB3 PHE A 22 11.440 5.944 7.665 1.00 0.71 H new ATOM 0 HD1 PHE A 22 13.649 4.325 10.168 1.00 2.08 H new ATOM 0 HD2 PHE A 22 11.079 3.753 6.824 1.00 0.91 H new ATOM 0 HE1 PHE A 22 14.409 1.998 9.987 1.00 2.66 H new ATOM 0 HE2 PHE A 22 11.841 1.427 6.638 1.00 1.43 H new ATOM 0 HZ PHE A 22 13.500 0.541 8.223 1.00 2.32 H new ATOM 334 N TRP A 23 14.426 6.448 7.102 1.00 0.48 N ATOM 335 CA TRP A 23 15.267 7.029 6.068 1.00 0.57 C ATOM 336 C TRP A 23 15.213 6.228 4.769 1.00 0.50 C ATOM 337 O TRP A 23 14.856 5.048 4.778 1.00 0.51 O ATOM 338 CB TRP A 23 16.709 7.136 6.572 1.00 0.78 C ATOM 339 CG TRP A 23 17.489 8.234 5.913 1.00 1.35 C ATOM 340 CD1 TRP A 23 17.224 9.570 5.980 1.00 2.36 C ATOM 341 CD2 TRP A 23 18.665 8.097 5.108 1.00 2.01 C ATOM 342 NE1 TRP A 23 18.154 10.272 5.255 1.00 3.05 N ATOM 343 CE2 TRP A 23 19.051 9.391 4.709 1.00 2.82 C ATOM 344 CE3 TRP A 23 19.427 7.009 4.680 1.00 2.70 C ATOM 345 CZ2 TRP A 23 20.165 9.624 3.907 1.00 3.70 C ATOM 346 CZ3 TRP A 23 20.533 7.239 3.884 1.00 3.72 C ATOM 347 CH2 TRP A 23 20.891 8.539 3.504 1.00 4.03 C ATOM 0 H TRP A 23 14.515 5.438 7.212 1.00 0.48 H new ATOM 0 HA TRP A 23 14.885 8.025 5.847 1.00 0.57 H new ATOM 0 HB2 TRP A 23 16.698 7.304 7.649 1.00 0.78 H new ATOM 0 HB3 TRP A 23 17.217 6.187 6.402 1.00 0.78 H new ATOM 0 HD1 TRP A 23 16.402 10.011 6.524 1.00 2.36 H new ATOM 0 HE1 TRP A 23 18.174 11.285 5.141 1.00 3.05 H new ATOM 0 HE3 TRP A 23 19.157 6.003 4.966 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 20.445 10.625 3.614 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 21.131 6.404 3.550 1.00 3.72 H new ATOM 0 HH2 TRP A 23 21.759 8.687 2.879 1.00 4.03 H new ATOM 358 N THR A 24 15.577 6.891 3.673 1.00 0.50 N ATOM 359 CA THR A 24 15.539 6.320 2.325 1.00 0.47 C ATOM 360 C THR A 24 16.113 4.904 2.260 1.00 0.46 C ATOM 361 O THR A 24 15.436 3.959 1.840 1.00 0.48 O ATOM 362 CB THR A 24 16.352 7.209 1.372 1.00 0.50 C ATOM 363 OG1 THR A 24 17.430 7.827 2.082 1.00 0.58 O ATOM 364 CG2 THR A 24 15.479 8.268 0.732 1.00 0.53 C ATOM 0 H THR A 24 15.912 7.854 3.695 1.00 0.50 H new ATOM 0 HA THR A 24 14.490 6.272 2.035 1.00 0.47 H new ATOM 0 HB THR A 24 16.755 6.578 0.580 1.00 0.50 H new ATOM 0 HG1 THR A 24 17.945 8.391 1.468 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.082 8.881 0.063 1.00 0.53 H new ATOM 0 HG22 THR A 24 14.682 7.788 0.164 1.00 0.53 H new ATOM 0 HG23 THR A 24 15.043 8.898 1.508 1.00 0.53 H new ATOM 372 N GLU A 25 17.354 4.770 2.703 1.00 0.53 N ATOM 373 CA GLU A 25 18.120 3.545 2.531 1.00 0.60 C ATOM 374 C GLU A 25 17.513 2.368 3.300 1.00 0.60 C ATOM 375 O GLU A 25 17.440 1.253 2.781 1.00 0.63 O ATOM 376 CB GLU A 25 19.563 3.797 2.978 1.00 0.71 C ATOM 377 CG GLU A 25 20.513 2.643 2.726 1.00 1.31 C ATOM 378 CD GLU A 25 21.935 2.984 3.119 1.00 1.63 C ATOM 379 OE1 GLU A 25 22.221 3.056 4.333 1.00 1.88 O ATOM 380 OE2 GLU A 25 22.775 3.179 2.216 1.00 1.94 O ATOM 0 H GLU A 25 17.859 5.509 3.193 1.00 0.53 H new ATOM 0 HA GLU A 25 18.098 3.270 1.476 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.940 4.680 2.462 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.565 4.025 4.044 1.00 0.71 H new ATOM 0 HG2 GLU A 25 20.181 1.770 3.288 1.00 1.31 H new ATOM 0 HG3 GLU A 25 20.483 2.373 1.670 1.00 1.31 H new ATOM 387 N ARG A 26 17.049 2.619 4.517 1.00 0.64 N ATOM 388 CA ARG A 26 16.604 1.542 5.402 1.00 0.76 C ATOM 389 C ARG A 26 15.191 1.061 5.054 1.00 0.71 C ATOM 390 O ARG A 26 14.770 -0.012 5.485 1.00 0.87 O ATOM 391 CB ARG A 26 16.667 2.008 6.859 1.00 0.96 C ATOM 392 CG ARG A 26 16.619 0.877 7.877 1.00 1.62 C ATOM 393 CD ARG A 26 17.765 -0.103 7.676 1.00 2.07 C ATOM 394 NE ARG A 26 17.822 -1.115 8.731 1.00 2.61 N ATOM 395 CZ ARG A 26 17.996 -2.420 8.502 1.00 3.42 C ATOM 396 NH1 ARG A 26 18.062 -2.874 7.253 1.00 3.88 N ATOM 397 NH2 ARG A 26 18.102 -3.268 9.521 1.00 4.18 N ATOM 0 H ARG A 26 16.970 3.554 4.916 1.00 0.64 H new ATOM 0 HA ARG A 26 17.276 0.695 5.262 1.00 0.76 H new ATOM 0 HB2 ARG A 26 17.585 2.577 7.008 1.00 0.96 H new ATOM 0 HB3 ARG A 26 15.836 2.688 7.048 1.00 0.96 H new ATOM 0 HG2 ARG A 26 16.665 1.291 8.884 1.00 1.62 H new ATOM 0 HG3 ARG A 26 15.669 0.350 7.792 1.00 1.62 H new ATOM 0 HD2 ARG A 26 17.654 -0.595 6.710 1.00 2.07 H new ATOM 0 HD3 ARG A 26 18.707 0.444 7.649 1.00 2.07 H new ATOM 0 HE ARG A 26 17.723 -0.806 9.698 1.00 2.61 H new ATOM 0 HH11 ARG A 26 17.980 -2.226 6.470 1.00 3.88 H new ATOM 0 HH12 ARG A 26 18.195 -3.870 7.079 1.00 3.88 H new ATOM 0 HH21 ARG A 26 18.050 -2.923 10.479 1.00 4.18 H new ATOM 0 HH22 ARG A 26 18.235 -4.264 9.344 1.00 4.18 H new ATOM 411 N PHE A 27 14.467 1.846 4.269 1.00 0.59 N ATOM 412 CA PHE A 27 13.097 1.500 3.893 1.00 0.61 C ATOM 413 C PHE A 27 13.089 0.749 2.557 1.00 0.51 C ATOM 414 O PHE A 27 12.063 0.230 2.116 1.00 0.72 O ATOM 415 CB PHE A 27 12.259 2.782 3.808 1.00 0.71 C ATOM 416 CG PHE A 27 10.765 2.568 3.806 1.00 1.11 C ATOM 417 CD1 PHE A 27 10.087 2.237 4.973 1.00 0.95 C ATOM 418 CD2 PHE A 27 10.033 2.724 2.641 1.00 1.74 C ATOM 419 CE1 PHE A 27 8.718 2.063 4.974 1.00 1.39 C ATOM 420 CE2 PHE A 27 8.662 2.548 2.638 1.00 2.21 C ATOM 421 CZ PHE A 27 8.005 2.218 3.804 1.00 2.03 C ATOM 0 H PHE A 27 14.802 2.727 3.879 1.00 0.59 H new ATOM 0 HA PHE A 27 12.663 0.844 4.648 1.00 0.61 H new ATOM 0 HB2 PHE A 27 12.518 3.424 4.650 1.00 0.71 H new ATOM 0 HB3 PHE A 27 12.535 3.319 2.901 1.00 0.71 H new ATOM 0 HD1 PHE A 27 10.640 2.114 5.893 1.00 0.95 H new ATOM 0 HD2 PHE A 27 10.539 2.986 1.724 1.00 1.74 H new ATOM 0 HE1 PHE A 27 8.206 1.806 5.890 1.00 1.39 H new ATOM 0 HE2 PHE A 27 8.105 2.669 1.721 1.00 2.21 H new ATOM 0 HZ PHE A 27 6.934 2.081 3.801 1.00 2.03 H new ATOM 431 N GLN A 28 14.264 0.674 1.941 1.00 0.40 N ATOM 432 CA GLN A 28 14.433 0.066 0.622 1.00 0.31 C ATOM 433 C GLN A 28 14.392 -1.461 0.679 1.00 0.30 C ATOM 434 O GLN A 28 14.828 -2.070 1.659 1.00 0.37 O ATOM 435 CB GLN A 28 15.768 0.526 0.034 1.00 0.28 C ATOM 436 CG GLN A 28 16.192 -0.205 -1.227 1.00 0.45 C ATOM 437 CD GLN A 28 17.633 0.071 -1.602 1.00 0.77 C ATOM 438 OE1 GLN A 28 17.987 0.081 -2.777 1.00 1.73 O ATOM 439 NE2 GLN A 28 18.477 0.282 -0.603 1.00 1.23 N ATOM 0 H GLN A 28 15.130 1.034 2.342 1.00 0.40 H new ATOM 0 HA GLN A 28 13.604 0.387 -0.008 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.705 1.592 -0.184 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.544 0.400 0.789 1.00 0.28 H new ATOM 0 HG2 GLN A 28 16.056 -1.277 -1.084 1.00 0.45 H new ATOM 0 HG3 GLN A 28 15.543 0.092 -2.051 1.00 0.45 H new ATOM 0 HE21 GLN A 28 18.142 0.265 0.360 1.00 1.23 H new ATOM 0 HE22 GLN A 28 19.462 0.461 -0.797 1.00 1.23 H new ATOM 448 N GLY A 29 13.885 -2.066 -0.392 1.00 0.29 N ATOM 449 CA GLY A 29 13.868 -3.518 -0.500 1.00 0.32 C ATOM 450 C GLY A 29 12.549 -4.060 -1.011 1.00 0.30 C ATOM 451 O GLY A 29 11.677 -3.295 -1.435 1.00 0.28 O ATOM 0 H GLY A 29 13.484 -1.575 -1.191 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.668 -3.836 -1.168 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.078 -3.952 0.478 1.00 0.32 H new ATOM 455 N ARG A 30 12.412 -5.388 -0.987 1.00 0.35 N ATOM 456 CA ARG A 30 11.192 -6.047 -1.441 1.00 0.36 C ATOM 457 C ARG A 30 10.172 -6.101 -0.317 1.00 0.39 C ATOM 458 O ARG A 30 10.428 -6.695 0.731 1.00 0.51 O ATOM 459 CB ARG A 30 11.454 -7.485 -1.916 1.00 0.46 C ATOM 460 CG ARG A 30 12.183 -7.612 -3.248 1.00 0.51 C ATOM 461 CD ARG A 30 13.669 -7.333 -3.108 1.00 0.66 C ATOM 462 NE ARG A 30 14.312 -8.322 -2.247 1.00 1.20 N ATOM 463 CZ ARG A 30 15.601 -8.315 -1.920 1.00 1.70 C ATOM 464 NH1 ARG A 30 16.402 -7.351 -2.360 1.00 1.65 N ATOM 465 NH2 ARG A 30 16.082 -9.279 -1.147 1.00 2.57 N ATOM 0 H ARG A 30 13.135 -6.027 -0.656 1.00 0.35 H new ATOM 0 HA ARG A 30 10.814 -5.461 -2.279 1.00 0.36 H new ATOM 0 HB2 ARG A 30 12.036 -8.001 -1.152 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.498 -8.004 -1.994 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.038 -8.616 -3.647 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.749 -6.917 -3.967 1.00 0.51 H new ATOM 0 HD2 ARG A 30 14.138 -7.343 -4.092 1.00 0.66 H new ATOM 0 HD3 ARG A 30 13.817 -6.335 -2.695 1.00 0.66 H new ATOM 0 HE ARG A 30 13.731 -9.071 -1.870 1.00 1.20 H new ATOM 0 HH11 ARG A 30 16.029 -6.609 -2.953 1.00 1.65 H new ATOM 0 HH12 ARG A 30 17.390 -7.352 -2.105 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.465 -10.017 -0.809 1.00 2.57 H new ATOM 0 HH22 ARG A 30 17.069 -9.282 -0.891 1.00 2.57 H new ATOM 479 N TRP A 31 9.030 -5.481 -0.531 1.00 0.34 N ATOM 480 CA TRP A 31 7.939 -5.570 0.414 1.00 0.42 C ATOM 481 C TRP A 31 6.779 -6.323 -0.214 1.00 0.34 C ATOM 482 O TRP A 31 6.202 -5.897 -1.217 1.00 0.34 O ATOM 483 CB TRP A 31 7.515 -4.180 0.883 1.00 0.55 C ATOM 484 CG TRP A 31 8.573 -3.506 1.702 1.00 0.85 C ATOM 485 CD1 TRP A 31 9.489 -2.595 1.269 1.00 1.94 C ATOM 486 CD2 TRP A 31 8.843 -3.715 3.093 1.00 0.74 C ATOM 487 NE1 TRP A 31 10.296 -2.203 2.309 1.00 1.91 N ATOM 488 CE2 TRP A 31 9.923 -2.881 3.438 1.00 0.91 C ATOM 489 CE3 TRP A 31 8.269 -4.517 4.083 1.00 1.79 C ATOM 490 CZ2 TRP A 31 10.443 -2.831 4.727 1.00 0.90 C ATOM 491 CZ3 TRP A 31 8.788 -4.469 5.363 1.00 2.36 C ATOM 492 CH2 TRP A 31 9.864 -3.629 5.674 1.00 1.70 C ATOM 0 H TRP A 31 8.834 -4.909 -1.353 1.00 0.34 H new ATOM 0 HA TRP A 31 8.271 -6.121 1.294 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.282 -3.562 0.016 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.601 -4.261 1.471 1.00 0.55 H new ATOM 0 HD1 TRP A 31 9.569 -2.233 0.254 1.00 1.94 H new ATOM 0 HE1 TRP A 31 11.050 -1.519 2.250 1.00 1.91 H new ATOM 0 HE3 TRP A 31 7.435 -5.163 3.852 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.274 -2.185 4.971 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 8.357 -5.089 6.135 1.00 2.36 H new ATOM 0 HH2 TRP A 31 10.245 -3.611 6.684 1.00 1.70 H new ATOM 503 N PHE A 32 6.472 -7.467 0.363 1.00 0.31 N ATOM 504 CA PHE A 32 5.465 -8.357 -0.176 1.00 0.30 C ATOM 505 C PHE A 32 4.116 -8.142 0.485 1.00 0.29 C ATOM 506 O PHE A 32 4.008 -8.160 1.708 1.00 0.33 O ATOM 507 CB PHE A 32 5.900 -9.800 0.024 1.00 0.38 C ATOM 508 CG PHE A 32 6.920 -10.276 -0.966 1.00 0.63 C ATOM 509 CD1 PHE A 32 6.527 -10.630 -2.240 1.00 0.68 C ATOM 510 CD2 PHE A 32 8.255 -10.401 -0.620 1.00 1.10 C ATOM 511 CE1 PHE A 32 7.433 -11.101 -3.156 1.00 1.17 C ATOM 512 CE2 PHE A 32 9.176 -10.866 -1.538 1.00 1.62 C ATOM 513 CZ PHE A 32 8.764 -11.219 -2.810 1.00 1.64 C ATOM 0 H PHE A 32 6.913 -7.805 1.218 1.00 0.31 H new ATOM 0 HA PHE A 32 5.360 -8.139 -1.239 1.00 0.30 H new ATOM 0 HB2 PHE A 32 6.307 -9.909 1.029 1.00 0.38 H new ATOM 0 HB3 PHE A 32 5.023 -10.444 -0.037 1.00 0.38 H new ATOM 0 HD1 PHE A 32 5.489 -10.535 -2.521 1.00 0.68 H new ATOM 0 HD2 PHE A 32 8.578 -10.133 0.375 1.00 1.10 H new ATOM 0 HE1 PHE A 32 7.105 -11.379 -4.147 1.00 1.17 H new ATOM 0 HE2 PHE A 32 10.217 -10.954 -1.263 1.00 1.62 H new ATOM 0 HZ PHE A 32 9.481 -11.586 -3.530 1.00 1.64 H new ATOM 523 N VAL A 33 3.087 -7.961 -0.330 1.00 0.28 N ATOM 524 CA VAL A 33 1.731 -7.800 0.182 1.00 0.30 C ATOM 525 C VAL A 33 1.236 -9.100 0.788 1.00 0.31 C ATOM 526 O VAL A 33 1.451 -10.178 0.225 1.00 0.52 O ATOM 527 CB VAL A 33 0.736 -7.390 -0.919 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.445 -6.637 -0.328 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.421 -6.580 -1.998 1.00 0.74 C ATOM 0 H VAL A 33 3.163 -7.922 -1.346 1.00 0.28 H new ATOM 0 HA VAL A 33 1.779 -7.011 0.933 1.00 0.30 H new ATOM 0 HB VAL A 33 0.353 -8.299 -1.384 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -1.134 -6.358 -1.125 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -0.960 -7.274 0.391 1.00 0.74 H new ATOM 0 HG13 VAL A 33 -0.089 -5.738 0.175 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.695 -6.304 -2.762 1.00 0.74 H new ATOM 0 HG22 VAL A 33 1.847 -5.677 -1.560 1.00 0.74 H new ATOM 0 HG23 VAL A 33 2.215 -7.174 -2.450 1.00 0.74 H new ATOM 539 N VAL A 34 0.605 -9.001 1.943 1.00 0.20 N ATOM 540 CA VAL A 34 -0.034 -10.154 2.558 1.00 0.25 C ATOM 541 C VAL A 34 -1.512 -9.850 2.834 1.00 0.28 C ATOM 542 O VAL A 34 -2.337 -10.760 2.952 1.00 0.47 O ATOM 543 CB VAL A 34 0.670 -10.564 3.872 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.188 -11.926 4.337 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.182 -10.565 3.701 1.00 0.29 C ATOM 0 H VAL A 34 0.520 -8.135 2.476 1.00 0.20 H new ATOM 0 HA VAL A 34 0.045 -10.988 1.860 1.00 0.25 H new ATOM 0 HB VAL A 34 0.413 -9.828 4.634 1.00 0.30 H new ATOM 0 HG11 VAL A 34 0.696 -12.195 5.263 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.888 -11.892 4.510 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.409 -12.671 3.572 1.00 0.40 H new ATOM 0 HG21 VAL A 34 2.654 -10.857 4.639 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.459 -11.273 2.920 1.00 0.29 H new ATOM 0 HG23 VAL A 34 2.517 -9.566 3.421 1.00 0.29 H new ATOM 555 N GLY A 35 -1.848 -8.565 2.905 1.00 0.19 N ATOM 556 CA GLY A 35 -3.230 -8.175 3.124 1.00 0.19 C ATOM 557 C GLY A 35 -3.520 -6.772 2.624 1.00 0.17 C ATOM 558 O GLY A 35 -2.595 -5.979 2.415 1.00 0.18 O ATOM 0 H GLY A 35 -1.191 -7.790 2.815 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.889 -8.881 2.619 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -3.457 -8.233 4.189 1.00 0.19 H new ATOM 562 N LEU A 36 -4.799 -6.455 2.443 1.00 0.17 N ATOM 563 CA LEU A 36 -5.204 -5.152 1.933 1.00 0.18 C ATOM 564 C LEU A 36 -6.583 -4.789 2.465 1.00 0.16 C ATOM 565 O LEU A 36 -7.467 -5.634 2.535 1.00 0.18 O ATOM 566 CB LEU A 36 -5.232 -5.168 0.407 1.00 0.20 C ATOM 567 CG LEU A 36 -5.250 -3.787 -0.251 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.894 -3.110 -0.098 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.624 -3.905 -1.716 1.00 0.30 C ATOM 0 H LEU A 36 -5.574 -7.087 2.643 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.482 -4.407 2.268 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.360 -5.714 0.048 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -6.112 -5.722 0.080 1.00 0.20 H new ATOM 0 HG LEU A 36 -6.000 -3.173 0.248 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.922 -2.128 -0.571 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.662 -2.996 0.961 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -3.127 -3.720 -0.574 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.633 -2.914 -2.170 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.895 -4.533 -2.228 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.614 -4.353 -1.804 1.00 0.30 H new ATOM 581 N ALA A 37 -6.771 -3.534 2.822 1.00 0.17 N ATOM 582 CA ALA A 37 -8.020 -3.087 3.423 1.00 0.18 C ATOM 583 C ALA A 37 -8.303 -1.648 3.038 1.00 0.24 C ATOM 584 O ALA A 37 -7.450 -0.791 3.214 1.00 0.43 O ATOM 585 CB ALA A 37 -7.916 -3.213 4.934 1.00 0.25 C ATOM 0 H ALA A 37 -6.073 -2.799 2.707 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.840 -3.707 3.060 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.848 -2.880 5.392 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.732 -4.254 5.201 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -7.093 -2.595 5.295 1.00 0.25 H new ATOM 591 N GLY A 38 -9.485 -1.368 2.516 1.00 0.22 N ATOM 592 CA GLY A 38 -9.769 -0.015 2.100 1.00 0.26 C ATOM 593 C GLY A 38 -11.002 0.119 1.248 1.00 0.25 C ATOM 594 O GLY A 38 -11.442 -0.831 0.619 1.00 0.26 O ATOM 0 H GLY A 38 -10.240 -2.040 2.375 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.883 0.610 2.986 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.913 0.371 1.546 1.00 0.26 H new ATOM 598 N ASN A 39 -11.560 1.321 1.225 1.00 0.26 N ATOM 599 CA ASN A 39 -12.742 1.593 0.424 1.00 0.27 C ATOM 600 C ASN A 39 -12.365 1.571 -1.056 1.00 0.32 C ATOM 601 O ASN A 39 -13.184 1.286 -1.930 1.00 0.40 O ATOM 602 CB ASN A 39 -13.348 2.947 0.803 1.00 0.31 C ATOM 603 CG ASN A 39 -14.553 3.321 -0.049 1.00 1.08 C ATOM 604 OD1 ASN A 39 -15.371 2.475 -0.409 1.00 1.94 O ATOM 605 ND2 ASN A 39 -14.656 4.599 -0.394 1.00 1.73 N ATOM 0 H ASN A 39 -11.212 2.122 1.752 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.490 0.824 0.616 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.645 2.925 1.852 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.586 3.720 0.704 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -15.433 4.909 -0.977 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -13.958 5.271 -0.076 1.00 1.73 H new ATOM 612 N ALA A 40 -11.098 1.873 -1.321 1.00 0.34 N ATOM 613 CA ALA A 40 -10.554 1.811 -2.668 1.00 0.41 C ATOM 614 C ALA A 40 -10.093 0.388 -2.978 1.00 0.39 C ATOM 615 O ALA A 40 -9.671 0.084 -4.094 1.00 0.45 O ATOM 616 CB ALA A 40 -9.409 2.803 -2.814 1.00 0.46 C ATOM 0 H ALA A 40 -10.426 2.165 -0.612 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.330 2.082 -3.384 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -9.008 2.749 -3.826 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -9.775 3.812 -2.622 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -8.623 2.559 -2.099 1.00 0.46 H new ATOM 622 N VAL A 41 -10.173 -0.472 -1.970 1.00 0.34 N ATOM 623 CA VAL A 41 -9.899 -1.892 -2.137 1.00 0.33 C ATOM 624 C VAL A 41 -11.069 -2.568 -2.840 1.00 0.42 C ATOM 625 O VAL A 41 -12.211 -2.482 -2.383 1.00 0.46 O ATOM 626 CB VAL A 41 -9.644 -2.592 -0.771 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.854 -4.101 -0.870 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.238 -2.288 -0.274 1.00 0.30 C ATOM 0 H VAL A 41 -10.428 -0.206 -1.019 1.00 0.34 H new ATOM 0 HA VAL A 41 -8.997 -1.985 -2.742 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.366 -2.199 -0.056 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.668 -4.559 0.102 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.879 -4.306 -1.177 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -9.165 -4.517 -1.605 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.075 -2.785 0.682 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.509 -2.650 -1.000 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -8.121 -1.212 -0.148 1.00 0.30 H new ATOM 638 N GLN A 42 -10.788 -3.227 -3.959 1.00 0.55 N ATOM 639 CA GLN A 42 -11.814 -3.980 -4.660 1.00 0.69 C ATOM 640 C GLN A 42 -12.100 -5.290 -3.925 1.00 0.60 C ATOM 641 O GLN A 42 -11.631 -6.368 -4.301 1.00 0.70 O ATOM 642 CB GLN A 42 -11.418 -4.229 -6.121 1.00 0.93 C ATOM 643 CG GLN A 42 -9.998 -4.744 -6.313 1.00 1.49 C ATOM 644 CD GLN A 42 -9.660 -4.964 -7.776 1.00 1.84 C ATOM 645 OE1 GLN A 42 -10.533 -5.282 -8.584 1.00 2.44 O ATOM 646 NE2 GLN A 42 -8.396 -4.788 -8.126 1.00 2.35 N ATOM 0 H GLN A 42 -9.866 -3.254 -4.395 1.00 0.55 H new ATOM 0 HA GLN A 42 -12.730 -3.390 -4.673 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -12.113 -4.948 -6.555 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -11.532 -3.299 -6.678 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -9.294 -4.032 -5.882 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -9.877 -5.681 -5.769 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -7.704 -4.524 -7.424 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -8.113 -4.916 -9.098 1.00 2.35 H new ATOM 655 N LYS A 43 -12.875 -5.166 -2.864 1.00 0.50 N ATOM 656 CA LYS A 43 -13.282 -6.298 -2.057 1.00 0.48 C ATOM 657 C LYS A 43 -14.643 -6.777 -2.555 1.00 0.59 C ATOM 658 O LYS A 43 -15.677 -6.234 -2.173 1.00 0.69 O ATOM 659 CB LYS A 43 -13.357 -5.865 -0.585 1.00 0.43 C ATOM 660 CG LYS A 43 -13.164 -6.976 0.434 1.00 0.57 C ATOM 661 CD LYS A 43 -13.913 -8.244 0.096 1.00 0.55 C ATOM 662 CE LYS A 43 -13.229 -9.429 0.742 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.429 -9.470 2.216 1.00 0.97 N ATOM 0 H LYS A 43 -13.241 -4.272 -2.537 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.564 -7.114 -2.138 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.600 -5.100 -0.410 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -14.327 -5.400 -0.410 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -12.101 -7.203 0.515 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.490 -6.621 1.412 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -14.943 -8.173 0.444 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -13.950 -8.378 -0.985 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -13.611 -10.350 0.301 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -12.162 -9.391 0.525 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -13.137 -10.399 2.580 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -12.856 -8.727 2.665 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -14.433 -9.312 2.435 1.00 0.97 H new ATOM 677 N GLU A 44 -14.640 -7.773 -3.430 1.00 0.68 N ATOM 678 CA GLU A 44 -15.883 -8.249 -4.027 1.00 0.80 C ATOM 679 C GLU A 44 -16.701 -9.074 -3.044 1.00 0.76 C ATOM 680 O GLU A 44 -17.883 -8.796 -2.827 1.00 0.88 O ATOM 681 CB GLU A 44 -15.627 -9.037 -5.320 1.00 0.94 C ATOM 682 CG GLU A 44 -14.214 -9.574 -5.473 1.00 0.95 C ATOM 683 CD GLU A 44 -14.005 -10.874 -4.746 1.00 1.59 C ATOM 684 OE1 GLU A 44 -13.764 -10.831 -3.531 1.00 2.22 O ATOM 685 OE2 GLU A 44 -14.077 -11.937 -5.387 1.00 2.00 O ATOM 0 H GLU A 44 -13.801 -8.264 -3.741 1.00 0.68 H new ATOM 0 HA GLU A 44 -16.466 -7.365 -4.285 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -16.325 -9.874 -5.363 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -15.849 -8.393 -6.171 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -13.996 -9.715 -6.532 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -13.506 -8.835 -5.098 1.00 0.95 H new ATOM 692 N ARG A 45 -16.081 -10.084 -2.456 1.00 0.70 N ATOM 693 CA ARG A 45 -16.745 -10.906 -1.458 1.00 0.79 C ATOM 694 C ARG A 45 -15.738 -11.798 -0.745 1.00 0.79 C ATOM 695 O ARG A 45 -15.979 -12.248 0.375 1.00 0.90 O ATOM 696 CB ARG A 45 -17.846 -11.747 -2.111 1.00 0.94 C ATOM 697 CG ARG A 45 -18.835 -12.337 -1.120 1.00 1.54 C ATOM 698 CD ARG A 45 -20.184 -12.578 -1.774 1.00 1.86 C ATOM 699 NE ARG A 45 -20.766 -11.333 -2.291 1.00 2.25 N ATOM 700 CZ ARG A 45 -22.066 -11.160 -2.537 1.00 2.90 C ATOM 701 NH1 ARG A 45 -22.932 -12.128 -2.268 1.00 3.09 N ATOM 702 NH2 ARG A 45 -22.503 -10.006 -3.029 1.00 3.78 N ATOM 0 H ARG A 45 -15.117 -10.355 -2.653 1.00 0.70 H new ATOM 0 HA ARG A 45 -17.204 -10.252 -0.717 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -18.388 -11.128 -2.826 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -17.385 -12.557 -2.676 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -18.445 -13.276 -0.727 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -18.953 -11.661 -0.273 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -20.071 -13.293 -2.589 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -20.865 -13.025 -1.050 1.00 1.86 H new ATOM 0 HE ARG A 45 -20.137 -10.551 -2.474 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -22.605 -13.009 -1.871 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -23.925 -11.991 -2.458 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -21.844 -9.251 -3.219 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -23.497 -9.875 -3.217 1.00 3.78 H new ATOM 716 N GLN A 46 -14.600 -12.034 -1.386 1.00 0.80 N ATOM 717 CA GLN A 46 -13.545 -12.837 -0.775 1.00 0.94 C ATOM 718 C GLN A 46 -12.166 -12.198 -0.956 1.00 0.86 C ATOM 719 O GLN A 46 -11.490 -11.920 0.027 1.00 0.94 O ATOM 720 CB GLN A 46 -13.549 -14.276 -1.313 1.00 1.13 C ATOM 721 CG GLN A 46 -13.441 -14.392 -2.826 1.00 1.36 C ATOM 722 CD GLN A 46 -13.334 -15.833 -3.293 1.00 1.85 C ATOM 723 OE1 GLN A 46 -13.782 -16.180 -4.385 1.00 2.42 O ATOM 724 NE2 GLN A 46 -12.737 -16.685 -2.471 1.00 2.45 N ATOM 0 H GLN A 46 -14.384 -11.685 -2.320 1.00 0.80 H new ATOM 0 HA GLN A 46 -13.757 -12.874 0.294 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -12.720 -14.820 -0.861 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -14.467 -14.767 -0.990 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -14.314 -13.928 -3.286 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -12.568 -13.837 -3.168 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -12.378 -16.361 -1.573 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -12.637 -17.665 -2.737 1.00 2.45 H new ATOM 733 N SER A 47 -11.791 -11.924 -2.207 1.00 0.79 N ATOM 734 CA SER A 47 -10.455 -11.438 -2.557 1.00 0.80 C ATOM 735 C SER A 47 -10.298 -11.376 -4.072 1.00 0.82 C ATOM 736 O SER A 47 -10.016 -12.387 -4.713 1.00 0.93 O ATOM 737 CB SER A 47 -9.350 -12.344 -1.984 1.00 0.93 C ATOM 738 OG SER A 47 -8.943 -11.937 -0.686 1.00 1.58 O ATOM 0 H SER A 47 -12.410 -12.034 -3.011 1.00 0.79 H new ATOM 0 HA SER A 47 -10.351 -10.443 -2.124 1.00 0.80 H new ATOM 0 HB2 SER A 47 -9.710 -13.372 -1.945 1.00 0.93 H new ATOM 0 HB3 SER A 47 -8.490 -12.333 -2.653 1.00 0.93 H new ATOM 0 HG SER A 47 -9.731 -11.844 -0.110 1.00 1.58 H new ATOM 744 N ARG A 48 -10.528 -10.207 -4.657 1.00 0.81 N ATOM 745 CA ARG A 48 -10.187 -9.996 -6.051 1.00 0.90 C ATOM 746 C ARG A 48 -8.756 -9.494 -6.136 1.00 0.92 C ATOM 747 O ARG A 48 -8.119 -9.539 -7.187 1.00 1.64 O ATOM 748 CB ARG A 48 -11.133 -8.991 -6.696 1.00 0.95 C ATOM 749 CG ARG A 48 -11.067 -9.000 -8.207 1.00 1.22 C ATOM 750 CD ARG A 48 -12.041 -8.010 -8.802 1.00 1.72 C ATOM 751 NE ARG A 48 -12.257 -8.263 -10.225 1.00 2.25 N ATOM 752 CZ ARG A 48 -12.280 -7.319 -11.163 1.00 2.93 C ATOM 753 NH1 ARG A 48 -12.044 -6.050 -10.847 1.00 3.36 N ATOM 754 NH2 ARG A 48 -12.502 -7.657 -12.426 1.00 3.61 N ATOM 0 H ARG A 48 -10.945 -9.401 -4.191 1.00 0.81 H new ATOM 0 HA ARG A 48 -10.283 -10.939 -6.589 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -12.154 -9.208 -6.381 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -10.894 -7.991 -6.334 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -10.055 -8.758 -8.531 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -11.289 -10.001 -8.577 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -12.992 -8.069 -8.272 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -11.662 -6.997 -8.664 1.00 1.72 H new ATOM 0 HE ARG A 48 -12.400 -9.229 -10.520 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -11.844 -5.794 -9.880 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -12.063 -5.332 -11.571 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -12.654 -8.635 -12.673 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -12.521 -6.939 -13.150 1.00 3.61 H new ATOM 768 N PHE A 49 -8.261 -9.017 -5.003 1.00 0.49 N ATOM 769 CA PHE A 49 -6.896 -8.537 -4.916 1.00 0.42 C ATOM 770 C PHE A 49 -5.935 -9.709 -4.826 1.00 0.59 C ATOM 771 O PHE A 49 -6.268 -10.771 -4.313 1.00 1.46 O ATOM 772 CB PHE A 49 -6.723 -7.626 -3.701 1.00 0.35 C ATOM 773 CG PHE A 49 -5.340 -7.068 -3.534 1.00 0.32 C ATOM 774 CD1 PHE A 49 -4.771 -6.263 -4.508 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.607 -7.363 -2.395 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.495 -5.759 -4.348 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.329 -6.862 -2.230 1.00 0.30 C ATOM 778 CZ PHE A 49 -2.773 -6.059 -3.208 1.00 0.37 C ATOM 0 H PHE A 49 -8.788 -8.953 -4.132 1.00 0.49 H new ATOM 0 HA PHE A 49 -6.675 -7.963 -5.816 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.428 -6.798 -3.780 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -6.987 -8.185 -2.803 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.331 -6.027 -5.401 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -5.038 -7.990 -1.629 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.062 -5.131 -5.113 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.766 -7.098 -1.339 1.00 0.30 H new ATOM 0 HZ PHE A 49 -1.775 -5.666 -3.082 1.00 0.37 H new ATOM 788 N THR A 50 -4.738 -9.469 -5.282 1.00 0.46 N ATOM 789 CA THR A 50 -3.713 -10.489 -5.391 1.00 0.42 C ATOM 790 C THR A 50 -2.384 -9.910 -4.939 1.00 0.47 C ATOM 791 O THR A 50 -2.119 -8.725 -5.152 1.00 0.84 O ATOM 792 CB THR A 50 -3.583 -10.997 -6.843 1.00 0.42 C ATOM 793 OG1 THR A 50 -3.678 -9.890 -7.753 1.00 0.89 O ATOM 794 CG2 THR A 50 -4.648 -12.040 -7.178 1.00 0.82 C ATOM 0 H THR A 50 -4.434 -8.547 -5.595 1.00 0.46 H new ATOM 0 HA THR A 50 -3.994 -11.331 -4.758 1.00 0.42 H new ATOM 0 HB THR A 50 -2.609 -11.476 -6.944 1.00 0.42 H new ATOM 0 HG1 THR A 50 -3.593 -10.215 -8.674 1.00 0.89 H new ATOM 0 HG21 THR A 50 -4.521 -12.371 -8.209 1.00 0.82 H new ATOM 0 HG22 THR A 50 -4.545 -12.893 -6.507 1.00 0.82 H new ATOM 0 HG23 THR A 50 -5.638 -11.601 -7.057 1.00 0.82 H new ATOM 802 N MET A 51 -1.564 -10.722 -4.291 1.00 0.25 N ATOM 803 CA MET A 51 -0.287 -10.229 -3.788 1.00 0.24 C ATOM 804 C MET A 51 0.699 -9.998 -4.912 1.00 0.26 C ATOM 805 O MET A 51 0.819 -10.794 -5.837 1.00 0.29 O ATOM 806 CB MET A 51 0.346 -11.173 -2.768 1.00 0.25 C ATOM 807 CG MET A 51 0.871 -12.473 -3.367 1.00 0.31 C ATOM 808 SD MET A 51 1.284 -13.707 -2.115 1.00 0.50 S ATOM 809 CE MET A 51 -0.080 -13.519 -0.967 1.00 1.00 C ATOM 0 H MET A 51 -1.752 -11.707 -4.102 1.00 0.25 H new ATOM 0 HA MET A 51 -0.511 -9.284 -3.294 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.167 -10.656 -2.271 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.392 -11.410 -2.001 1.00 0.25 H new ATOM 0 HG2 MET A 51 0.121 -12.885 -4.042 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.756 -12.260 -3.966 1.00 0.31 H new ATOM 0 HE1 MET A 51 -0.222 -14.448 -0.416 1.00 1.00 H new ATOM 0 HE2 MET A 51 0.141 -12.713 -0.268 1.00 1.00 H new ATOM 0 HE3 MET A 51 -0.990 -13.281 -1.519 1.00 1.00 H new ATOM 819 N TYR A 52 1.401 -8.899 -4.806 1.00 0.28 N ATOM 820 CA TYR A 52 2.499 -8.602 -5.689 1.00 0.32 C ATOM 821 C TYR A 52 3.692 -8.177 -4.856 1.00 0.30 C ATOM 822 O TYR A 52 3.615 -8.145 -3.623 1.00 0.30 O ATOM 823 CB TYR A 52 2.128 -7.522 -6.723 1.00 0.42 C ATOM 824 CG TYR A 52 1.345 -6.328 -6.200 1.00 0.48 C ATOM 825 CD1 TYR A 52 1.694 -5.680 -5.022 1.00 0.49 C ATOM 826 CD2 TYR A 52 0.263 -5.832 -6.920 1.00 0.61 C ATOM 827 CE1 TYR A 52 0.984 -4.577 -4.576 1.00 0.61 C ATOM 828 CE2 TYR A 52 -0.452 -4.736 -6.478 1.00 0.72 C ATOM 829 CZ TYR A 52 -0.088 -4.112 -5.305 1.00 0.71 C ATOM 830 OH TYR A 52 -0.797 -3.016 -4.864 1.00 0.85 O ATOM 0 H TYR A 52 1.226 -8.182 -4.102 1.00 0.28 H new ATOM 0 HA TYR A 52 2.749 -9.498 -6.257 1.00 0.32 H new ATOM 0 HB2 TYR A 52 3.048 -7.155 -7.179 1.00 0.42 H new ATOM 0 HB3 TYR A 52 1.545 -7.993 -7.515 1.00 0.42 H new ATOM 0 HD1 TYR A 52 2.532 -6.042 -4.445 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.024 -6.314 -7.843 1.00 0.61 H new ATOM 0 HE1 TYR A 52 1.270 -4.083 -3.659 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -1.292 -4.370 -7.049 1.00 0.72 H new ATOM 0 HH TYR A 52 -1.520 -2.819 -5.495 1.00 0.85 H new ATOM 840 N SER A 53 4.789 -7.880 -5.511 1.00 0.33 N ATOM 841 CA SER A 53 5.954 -7.382 -4.820 1.00 0.33 C ATOM 842 C SER A 53 6.039 -5.889 -5.048 1.00 0.37 C ATOM 843 O SER A 53 5.957 -5.442 -6.182 1.00 0.52 O ATOM 844 CB SER A 53 7.232 -8.066 -5.338 1.00 0.40 C ATOM 845 OG SER A 53 7.043 -9.459 -5.488 1.00 0.93 O ATOM 0 H SER A 53 4.899 -7.974 -6.521 1.00 0.33 H new ATOM 0 HA SER A 53 5.867 -7.600 -3.756 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.518 -7.630 -6.295 1.00 0.40 H new ATOM 0 HB3 SER A 53 8.053 -7.880 -4.645 1.00 0.40 H new ATOM 0 HG SER A 53 6.766 -9.846 -4.631 1.00 0.93 H new ATOM 851 N THR A 54 6.117 -5.123 -3.975 1.00 0.31 N ATOM 852 CA THR A 54 6.393 -3.705 -4.084 1.00 0.33 C ATOM 853 C THR A 54 7.809 -3.474 -3.600 1.00 0.29 C ATOM 854 O THR A 54 8.092 -3.503 -2.404 1.00 0.27 O ATOM 855 CB THR A 54 5.406 -2.864 -3.256 1.00 0.37 C ATOM 856 OG1 THR A 54 4.087 -3.410 -3.382 1.00 0.43 O ATOM 857 CG2 THR A 54 5.400 -1.423 -3.746 1.00 0.43 C ATOM 0 H THR A 54 5.993 -5.460 -3.020 1.00 0.31 H new ATOM 0 HA THR A 54 6.278 -3.394 -5.122 1.00 0.33 H new ATOM 0 HB THR A 54 5.718 -2.885 -2.212 1.00 0.37 H new ATOM 0 HG1 THR A 54 3.459 -2.874 -2.853 1.00 0.43 H new ATOM 0 HG21 THR A 54 4.697 -0.839 -3.151 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.400 -1.000 -3.645 1.00 0.43 H new ATOM 0 HG23 THR A 54 5.099 -1.396 -4.793 1.00 0.43 H new ATOM 865 N ILE A 55 8.698 -3.273 -4.543 1.00 0.30 N ATOM 866 CA ILE A 55 10.111 -3.210 -4.247 1.00 0.28 C ATOM 867 C ILE A 55 10.623 -1.815 -4.492 1.00 0.24 C ATOM 868 O ILE A 55 10.812 -1.411 -5.637 1.00 0.26 O ATOM 869 CB ILE A 55 10.877 -4.215 -5.118 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.188 -5.576 -5.016 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.336 -4.302 -4.679 1.00 0.32 C ATOM 872 CD1 ILE A 55 10.615 -6.578 -6.060 1.00 0.72 C ATOM 0 H ILE A 55 8.467 -3.149 -5.529 1.00 0.30 H new ATOM 0 HA ILE A 55 10.267 -3.465 -3.199 1.00 0.28 H new ATOM 0 HB ILE A 55 10.870 -3.885 -6.157 1.00 0.34 H new ATOM 0 HG12 ILE A 55 10.384 -5.994 -4.029 1.00 0.50 H new ATOM 0 HG13 ILE A 55 9.111 -5.429 -5.092 1.00 0.50 H new ATOM 0 HG21 ILE A 55 12.863 -5.019 -5.308 1.00 0.32 H new ATOM 0 HG22 ILE A 55 12.804 -3.322 -4.775 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.384 -4.627 -3.640 1.00 0.32 H new ATOM 0 HD11 ILE A 55 10.075 -7.513 -5.910 1.00 0.72 H new ATOM 0 HD12 ILE A 55 10.393 -6.186 -7.053 1.00 0.72 H new ATOM 0 HD13 ILE A 55 11.686 -6.760 -5.973 1.00 0.72 H new ATOM 884 N TYR A 56 10.826 -1.075 -3.422 1.00 0.25 N ATOM 885 CA TYR A 56 11.230 0.307 -3.545 1.00 0.27 C ATOM 886 C TYR A 56 12.734 0.372 -3.780 1.00 0.30 C ATOM 887 O TYR A 56 13.523 0.179 -2.857 1.00 0.36 O ATOM 888 CB TYR A 56 10.872 1.113 -2.297 1.00 0.32 C ATOM 889 CG TYR A 56 9.604 0.682 -1.569 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.421 0.349 -2.235 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.593 0.636 -0.182 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.288 -0.017 -1.533 1.00 0.43 C ATOM 893 CE2 TYR A 56 8.461 0.267 0.517 1.00 1.01 C ATOM 894 CZ TYR A 56 7.313 -0.055 -0.161 1.00 0.79 C ATOM 895 OH TYR A 56 6.184 -0.421 0.534 1.00 1.02 O ATOM 0 H TYR A 56 10.718 -1.406 -2.463 1.00 0.25 H new ATOM 0 HA TYR A 56 10.696 0.743 -4.389 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.707 1.055 -1.598 1.00 0.32 H new ATOM 0 HB3 TYR A 56 10.767 2.160 -2.582 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.392 0.378 -3.314 1.00 0.32 H new ATOM 0 HD2 TYR A 56 10.489 0.894 0.362 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.383 -0.273 -2.064 1.00 0.43 H new ATOM 0 HE2 TYR A 56 8.479 0.232 1.596 1.00 1.01 H new ATOM 0 HH TYR A 56 6.370 -0.398 1.496 1.00 1.02 H new ATOM 905 N GLU A 57 13.116 0.626 -5.019 1.00 0.33 N ATOM 906 CA GLU A 57 14.523 0.674 -5.398 1.00 0.41 C ATOM 907 C GLU A 57 15.043 2.101 -5.287 1.00 0.36 C ATOM 908 O GLU A 57 14.767 2.941 -6.144 1.00 0.42 O ATOM 909 CB GLU A 57 14.696 0.142 -6.826 1.00 0.52 C ATOM 910 CG GLU A 57 16.129 0.145 -7.329 1.00 1.13 C ATOM 911 CD GLU A 57 17.056 -0.657 -6.448 1.00 1.56 C ATOM 912 OE1 GLU A 57 16.920 -1.898 -6.407 1.00 1.84 O ATOM 913 OE2 GLU A 57 17.919 -0.048 -5.785 1.00 2.33 O ATOM 0 H GLU A 57 12.469 0.804 -5.787 1.00 0.33 H new ATOM 0 HA GLU A 57 15.101 0.044 -4.722 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.311 -0.877 -6.870 1.00 0.52 H new ATOM 0 HB3 GLU A 57 14.086 0.743 -7.501 1.00 0.52 H new ATOM 0 HG2 GLU A 57 16.156 -0.259 -8.341 1.00 1.13 H new ATOM 0 HG3 GLU A 57 16.488 1.173 -7.387 1.00 1.13 H new ATOM 920 N LEU A 58 15.787 2.368 -4.225 1.00 0.41 N ATOM 921 CA LEU A 58 16.259 3.715 -3.932 1.00 0.42 C ATOM 922 C LEU A 58 17.249 4.198 -4.984 1.00 0.43 C ATOM 923 O LEU A 58 18.303 3.595 -5.190 1.00 0.60 O ATOM 924 CB LEU A 58 16.905 3.754 -2.546 1.00 0.62 C ATOM 925 CG LEU A 58 17.488 5.104 -2.122 1.00 0.58 C ATOM 926 CD1 LEU A 58 16.448 6.202 -2.256 1.00 1.24 C ATOM 927 CD2 LEU A 58 17.987 5.027 -0.696 1.00 1.24 C ATOM 0 H LEU A 58 16.079 1.665 -3.546 1.00 0.41 H new ATOM 0 HA LEU A 58 15.399 4.384 -3.948 1.00 0.42 H new ATOM 0 HB2 LEU A 58 16.160 3.454 -1.810 1.00 0.62 H new ATOM 0 HB3 LEU A 58 17.701 3.010 -2.515 1.00 0.62 H new ATOM 0 HG LEU A 58 18.325 5.343 -2.778 1.00 0.58 H new ATOM 0 HD11 LEU A 58 16.882 7.154 -1.950 1.00 1.24 H new ATOM 0 HD12 LEU A 58 16.122 6.269 -3.294 1.00 1.24 H new ATOM 0 HD13 LEU A 58 15.593 5.972 -1.621 1.00 1.24 H new ATOM 0 HD21 LEU A 58 18.400 5.992 -0.403 1.00 1.24 H new ATOM 0 HD22 LEU A 58 17.160 4.770 -0.034 1.00 1.24 H new ATOM 0 HD23 LEU A 58 18.761 4.263 -0.622 1.00 1.24 H new ATOM 939 N GLN A 59 16.898 5.290 -5.649 1.00 0.37 N ATOM 940 CA GLN A 59 17.768 5.885 -6.645 1.00 0.48 C ATOM 941 C GLN A 59 18.601 6.995 -6.025 1.00 0.57 C ATOM 942 O GLN A 59 18.519 7.251 -4.823 1.00 0.58 O ATOM 943 CB GLN A 59 16.951 6.434 -7.812 1.00 0.53 C ATOM 944 CG GLN A 59 16.139 5.365 -8.525 1.00 1.13 C ATOM 945 CD GLN A 59 17.005 4.254 -9.082 1.00 1.75 C ATOM 946 OE1 GLN A 59 18.147 4.482 -9.485 1.00 2.50 O ATOM 947 NE2 GLN A 59 16.478 3.044 -9.097 1.00 2.33 N ATOM 0 H GLN A 59 16.014 5.780 -5.514 1.00 0.37 H new ATOM 0 HA GLN A 59 18.437 5.111 -7.021 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.278 7.208 -7.444 1.00 0.53 H new ATOM 0 HB3 GLN A 59 17.623 6.909 -8.527 1.00 0.53 H new ATOM 0 HG2 GLN A 59 15.413 4.942 -7.831 1.00 1.13 H new ATOM 0 HG3 GLN A 59 15.575 5.823 -9.337 1.00 1.13 H new ATOM 0 HE21 GLN A 59 15.529 2.897 -8.754 1.00 2.33 H new ATOM 0 HE22 GLN A 59 17.020 2.256 -9.451 1.00 2.33 H new ATOM 956 N GLU A 60 19.375 7.665 -6.859 1.00 0.69 N ATOM 957 CA GLU A 60 20.304 8.688 -6.403 1.00 0.82 C ATOM 958 C GLU A 60 19.589 9.954 -5.931 1.00 0.75 C ATOM 959 O GLU A 60 20.219 10.842 -5.360 1.00 0.89 O ATOM 960 CB GLU A 60 21.270 9.035 -7.532 1.00 1.05 C ATOM 961 CG GLU A 60 20.588 9.627 -8.752 1.00 1.11 C ATOM 962 CD GLU A 60 21.537 9.803 -9.915 1.00 1.47 C ATOM 963 OE1 GLU A 60 22.445 10.653 -9.819 1.00 1.79 O ATOM 964 OE2 GLU A 60 21.377 9.094 -10.928 1.00 1.73 O ATOM 0 H GLU A 60 19.379 7.518 -7.868 1.00 0.69 H new ATOM 0 HA GLU A 60 20.847 8.283 -5.549 1.00 0.82 H new ATOM 0 HB2 GLU A 60 22.011 9.743 -7.161 1.00 1.05 H new ATOM 0 HB3 GLU A 60 21.809 8.135 -7.828 1.00 1.05 H new ATOM 0 HG2 GLU A 60 19.764 8.980 -9.054 1.00 1.11 H new ATOM 0 HG3 GLU A 60 20.156 10.593 -8.490 1.00 1.11 H new ATOM 971 N ASP A 61 18.285 10.042 -6.159 1.00 0.64 N ATOM 972 CA ASP A 61 17.542 11.245 -5.805 1.00 0.70 C ATOM 973 C ASP A 61 16.351 10.886 -4.923 1.00 0.54 C ATOM 974 O ASP A 61 15.281 11.479 -5.034 1.00 0.50 O ATOM 975 CB ASP A 61 17.083 11.974 -7.076 1.00 0.92 C ATOM 976 CG ASP A 61 16.734 13.430 -6.825 1.00 1.18 C ATOM 977 OD1 ASP A 61 17.608 14.194 -6.370 1.00 1.41 O ATOM 978 OD2 ASP A 61 15.564 13.811 -7.050 1.00 1.26 O ATOM 0 H ASP A 61 17.724 9.303 -6.583 1.00 0.64 H new ATOM 0 HA ASP A 61 18.193 11.914 -5.243 1.00 0.70 H new ATOM 0 HB2 ASP A 61 17.872 11.918 -7.826 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.213 11.463 -7.489 1.00 0.92 H new ATOM 983 N ASN A 62 16.563 9.880 -4.063 1.00 0.52 N ATOM 984 CA ASN A 62 15.552 9.349 -3.114 1.00 0.46 C ATOM 985 C ASN A 62 14.204 9.041 -3.749 1.00 0.36 C ATOM 986 O ASN A 62 13.219 8.819 -3.045 1.00 0.41 O ATOM 987 CB ASN A 62 15.348 10.224 -1.861 1.00 0.57 C ATOM 988 CG ASN A 62 15.205 11.712 -2.134 1.00 0.70 C ATOM 989 OD1 ASN A 62 14.102 12.217 -2.348 1.00 1.36 O ATOM 990 ND2 ASN A 62 16.320 12.426 -2.112 1.00 1.35 N ATOM 0 H ASN A 62 17.459 9.397 -4.000 1.00 0.52 H new ATOM 0 HA ASN A 62 15.993 8.404 -2.795 1.00 0.46 H new ATOM 0 HB2 ASN A 62 14.457 9.879 -1.336 1.00 0.57 H new ATOM 0 HB3 ASN A 62 16.193 10.073 -1.189 1.00 0.57 H new ATOM 0 HD21 ASN A 62 16.285 13.432 -2.276 1.00 1.35 H new ATOM 0 HD22 ASN A 62 17.214 11.970 -1.931 1.00 1.35 H new ATOM 997 N SER A 63 14.156 9.004 -5.062 1.00 0.34 N ATOM 998 CA SER A 63 12.996 8.500 -5.740 1.00 0.30 C ATOM 999 C SER A 63 13.170 7.005 -5.894 1.00 0.29 C ATOM 1000 O SER A 63 14.217 6.537 -6.341 1.00 0.31 O ATOM 1001 CB SER A 63 12.816 9.190 -7.095 1.00 0.35 C ATOM 1002 OG SER A 63 13.986 9.078 -7.891 1.00 0.96 O ATOM 0 H SER A 63 14.908 9.318 -5.675 1.00 0.34 H new ATOM 0 HA SER A 63 12.094 8.708 -5.164 1.00 0.30 H new ATOM 0 HB2 SER A 63 11.971 8.746 -7.622 1.00 0.35 H new ATOM 0 HB3 SER A 63 12.578 10.242 -6.941 1.00 0.35 H new ATOM 0 HG SER A 63 13.841 9.526 -8.750 1.00 0.96 H new ATOM 1008 N TYR A 64 12.191 6.245 -5.464 1.00 0.28 N ATOM 1009 CA TYR A 64 12.311 4.808 -5.519 1.00 0.28 C ATOM 1010 C TYR A 64 11.762 4.294 -6.839 1.00 0.29 C ATOM 1011 O TYR A 64 10.674 4.688 -7.254 1.00 0.30 O ATOM 1012 CB TYR A 64 11.531 4.163 -4.362 1.00 0.28 C ATOM 1013 CG TYR A 64 11.844 4.723 -2.985 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.131 5.116 -2.631 1.00 0.31 C ATOM 1015 CD2 TYR A 64 10.840 4.850 -2.033 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.404 5.623 -1.368 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.103 5.353 -0.775 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.385 5.738 -0.448 1.00 0.42 C ATOM 1019 OH TYR A 64 12.648 6.241 0.805 1.00 0.49 O ATOM 0 H TYR A 64 11.313 6.592 -5.077 1.00 0.28 H new ATOM 0 HA TYR A 64 13.365 4.545 -5.433 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.464 4.282 -4.552 1.00 0.28 H new ATOM 0 HB3 TYR A 64 11.736 3.093 -4.358 1.00 0.28 H new ATOM 0 HD1 TYR A 64 13.931 5.025 -3.351 1.00 0.31 H new ATOM 0 HD2 TYR A 64 9.833 4.549 -2.283 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.408 5.925 -1.108 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.308 5.444 -0.050 1.00 0.45 H new ATOM 0 HH TYR A 64 11.820 6.584 1.200 1.00 0.49 H new ATOM 1029 N ASN A 65 12.508 3.417 -7.496 1.00 0.32 N ATOM 1030 CA ASN A 65 11.963 2.664 -8.610 1.00 0.36 C ATOM 1031 C ASN A 65 11.242 1.477 -8.031 1.00 0.32 C ATOM 1032 O ASN A 65 11.852 0.470 -7.682 1.00 0.37 O ATOM 1033 CB ASN A 65 13.051 2.190 -9.580 1.00 0.48 C ATOM 1034 CG ASN A 65 13.463 3.246 -10.589 1.00 1.24 C ATOM 1035 OD1 ASN A 65 13.414 4.444 -10.317 1.00 2.02 O ATOM 1036 ND2 ASN A 65 13.866 2.804 -11.771 1.00 1.96 N ATOM 0 H ASN A 65 13.483 3.212 -7.278 1.00 0.32 H new ATOM 0 HA ASN A 65 11.293 3.304 -9.184 1.00 0.36 H new ATOM 0 HB2 ASN A 65 13.927 1.883 -9.009 1.00 0.48 H new ATOM 0 HB3 ASN A 65 12.693 1.309 -10.113 1.00 0.48 H new ATOM 0 HD21 ASN A 65 14.150 3.466 -12.493 1.00 1.96 H new ATOM 0 HD22 ASN A 65 13.893 1.802 -11.959 1.00 1.96 H new ATOM 1043 N VAL A 66 9.945 1.595 -7.928 1.00 0.31 N ATOM 1044 CA VAL A 66 9.180 0.657 -7.152 1.00 0.29 C ATOM 1045 C VAL A 66 8.626 -0.430 -8.035 1.00 0.31 C ATOM 1046 O VAL A 66 7.697 -0.224 -8.816 1.00 0.37 O ATOM 1047 CB VAL A 66 8.072 1.367 -6.381 1.00 0.37 C ATOM 1048 CG1 VAL A 66 7.627 0.529 -5.200 1.00 0.67 C ATOM 1049 CG2 VAL A 66 8.576 2.722 -5.918 1.00 0.65 C ATOM 0 H VAL A 66 9.396 2.332 -8.372 1.00 0.31 H new ATOM 0 HA VAL A 66 9.842 0.191 -6.422 1.00 0.29 H new ATOM 0 HB VAL A 66 7.210 1.509 -7.033 1.00 0.37 H new ATOM 0 HG11 VAL A 66 6.836 1.051 -4.661 1.00 0.67 H new ATOM 0 HG12 VAL A 66 7.252 -0.431 -5.556 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.472 0.363 -4.532 1.00 0.67 H new ATOM 0 HG21 VAL A 66 7.788 3.234 -5.366 1.00 0.65 H new ATOM 0 HG22 VAL A 66 9.443 2.586 -5.271 1.00 0.65 H new ATOM 0 HG23 VAL A 66 8.860 3.320 -6.784 1.00 0.65 H new ATOM 1059 N THR A 67 9.217 -1.586 -7.884 1.00 0.34 N ATOM 1060 CA THR A 67 8.982 -2.696 -8.770 1.00 0.39 C ATOM 1061 C THR A 67 7.788 -3.506 -8.304 1.00 0.47 C ATOM 1062 O THR A 67 7.913 -4.327 -7.404 1.00 0.71 O ATOM 1063 CB THR A 67 10.240 -3.582 -8.831 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.339 -2.816 -9.345 1.00 0.58 O ATOM 1065 CG2 THR A 67 10.023 -4.826 -9.679 1.00 0.74 C ATOM 0 H THR A 67 9.881 -1.786 -7.136 1.00 0.34 H new ATOM 0 HA THR A 67 8.764 -2.314 -9.767 1.00 0.39 H new ATOM 0 HB THR A 67 10.464 -3.919 -7.819 1.00 0.48 H new ATOM 0 HG1 THR A 67 12.141 -3.379 -9.383 1.00 0.58 H new ATOM 0 HG21 THR A 67 10.936 -5.420 -9.693 1.00 0.74 H new ATOM 0 HG22 THR A 67 9.211 -5.418 -9.256 1.00 0.74 H new ATOM 0 HG23 THR A 67 9.765 -4.532 -10.697 1.00 0.74 H new ATOM 1073 N SER A 68 6.633 -3.236 -8.900 1.00 0.44 N ATOM 1074 CA SER A 68 5.420 -3.969 -8.589 1.00 0.52 C ATOM 1075 C SER A 68 5.168 -5.014 -9.665 1.00 0.53 C ATOM 1076 O SER A 68 4.968 -4.681 -10.828 1.00 0.65 O ATOM 1077 CB SER A 68 4.237 -3.006 -8.491 1.00 0.60 C ATOM 1078 OG SER A 68 4.520 -1.951 -7.586 1.00 1.14 O ATOM 0 H SER A 68 6.515 -2.509 -9.606 1.00 0.44 H new ATOM 0 HA SER A 68 5.536 -4.471 -7.628 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.013 -2.596 -9.476 1.00 0.60 H new ATOM 0 HB3 SER A 68 3.349 -3.546 -8.161 1.00 0.60 H new ATOM 0 HG SER A 68 3.751 -1.345 -7.539 1.00 1.14 H new ATOM 1084 N ILE A 69 5.206 -6.277 -9.290 1.00 0.53 N ATOM 1085 CA ILE A 69 5.038 -7.346 -10.261 1.00 0.53 C ATOM 1086 C ILE A 69 3.605 -7.850 -10.309 1.00 0.60 C ATOM 1087 O ILE A 69 3.103 -8.459 -9.368 1.00 0.74 O ATOM 1088 CB ILE A 69 6.009 -8.520 -10.000 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.669 -9.695 -10.928 1.00 0.66 C ATOM 1090 CG2 ILE A 69 5.956 -8.939 -8.533 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.791 -10.690 -11.098 1.00 0.78 C ATOM 0 H ILE A 69 5.350 -6.589 -8.330 1.00 0.53 H new ATOM 0 HA ILE A 69 5.279 -6.916 -11.233 1.00 0.53 H new ATOM 0 HB ILE A 69 7.027 -8.197 -10.216 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.794 -10.213 -10.535 1.00 0.66 H new ATOM 0 HG13 ILE A 69 5.394 -9.303 -11.907 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.645 -9.767 -8.366 1.00 0.57 H new ATOM 0 HG22 ILE A 69 6.241 -8.096 -7.903 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.943 -9.254 -8.281 1.00 0.57 H new ATOM 0 HD11 ILE A 69 6.471 -11.488 -11.767 1.00 0.78 H new ATOM 0 HD12 ILE A 69 7.661 -10.188 -11.521 1.00 0.78 H new ATOM 0 HD13 ILE A 69 7.052 -11.113 -10.128 1.00 0.78 H new ATOM 1103 N LEU A 70 2.963 -7.591 -11.428 1.00 0.56 N ATOM 1104 CA LEU A 70 1.596 -8.014 -11.648 1.00 0.64 C ATOM 1105 C LEU A 70 1.563 -8.903 -12.867 1.00 0.64 C ATOM 1106 O LEU A 70 2.544 -8.982 -13.617 1.00 0.67 O ATOM 1107 CB LEU A 70 0.668 -6.807 -11.872 1.00 0.74 C ATOM 1108 CG LEU A 70 1.084 -5.503 -11.181 1.00 0.66 C ATOM 1109 CD1 LEU A 70 2.123 -4.765 -12.008 1.00 0.96 C ATOM 1110 CD2 LEU A 70 -0.114 -4.599 -10.966 1.00 1.18 C ATOM 0 H LEU A 70 3.373 -7.082 -12.211 1.00 0.56 H new ATOM 0 HA LEU A 70 1.245 -8.550 -10.766 1.00 0.64 H new ATOM 0 HB2 LEU A 70 0.599 -6.621 -12.944 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.332 -7.074 -11.529 1.00 0.74 H new ATOM 0 HG LEU A 70 1.512 -5.766 -10.214 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.404 -3.843 -11.500 1.00 0.96 H new ATOM 0 HD12 LEU A 70 3.004 -5.395 -12.131 1.00 0.96 H new ATOM 0 HD13 LEU A 70 1.707 -4.527 -12.987 1.00 0.96 H new ATOM 0 HD21 LEU A 70 0.207 -3.681 -10.474 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -0.565 -4.357 -11.929 1.00 1.18 H new ATOM 0 HD23 LEU A 70 -0.847 -5.109 -10.340 1.00 1.18 H new ATOM 1122 N VAL A 71 0.457 -9.576 -13.071 1.00 0.70 N ATOM 1123 CA VAL A 71 0.326 -10.420 -14.228 1.00 0.74 C ATOM 1124 C VAL A 71 -0.231 -9.606 -15.380 1.00 0.83 C ATOM 1125 O VAL A 71 -1.425 -9.306 -15.441 1.00 0.99 O ATOM 1126 CB VAL A 71 -0.544 -11.651 -13.944 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -0.444 -12.637 -15.091 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -0.113 -12.296 -12.639 1.00 0.84 C ATOM 0 H VAL A 71 -0.357 -9.555 -12.456 1.00 0.70 H new ATOM 0 HA VAL A 71 1.313 -10.796 -14.497 1.00 0.74 H new ATOM 0 HB VAL A 71 -1.585 -11.341 -13.851 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -1.066 -13.507 -14.878 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -0.787 -12.162 -16.010 1.00 0.88 H new ATOM 0 HG13 VAL A 71 0.593 -12.952 -15.210 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -0.734 -13.170 -12.442 1.00 0.84 H new ATOM 0 HG22 VAL A 71 0.931 -12.602 -12.712 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.226 -11.580 -11.825 1.00 0.84 H new ATOM 1186 N GLY A 75 1.364 -13.228 -18.697 1.00 0.97 N ATOM 1187 CA GLY A 75 2.626 -13.507 -18.036 1.00 0.88 C ATOM 1188 C GLY A 75 2.871 -12.562 -16.879 1.00 0.81 C ATOM 1189 O GLY A 75 1.981 -11.810 -16.499 1.00 0.81 O ATOM 0 HA2 GLY A 75 2.628 -14.535 -17.673 1.00 0.88 H new ATOM 0 HA3 GLY A 75 3.441 -13.421 -18.755 1.00 0.88 H new ATOM 1193 N CYS A 76 4.081 -12.541 -16.349 1.00 0.79 N ATOM 1194 CA CYS A 76 4.365 -11.707 -15.193 1.00 0.73 C ATOM 1195 C CYS A 76 5.283 -10.571 -15.627 1.00 0.75 C ATOM 1196 O CYS A 76 6.288 -10.799 -16.298 1.00 0.92 O ATOM 1197 CB CYS A 76 5.050 -12.515 -14.072 1.00 0.78 C ATOM 1198 SG CYS A 76 6.806 -12.924 -14.390 1.00 1.26 S ATOM 0 H CYS A 76 4.873 -13.083 -16.694 1.00 0.79 H new ATOM 0 HA CYS A 76 3.425 -11.318 -14.803 1.00 0.73 H new ATOM 0 HB2 CYS A 76 4.985 -11.949 -13.143 1.00 0.78 H new ATOM 0 HB3 CYS A 76 4.497 -13.442 -13.920 1.00 0.78 H new ATOM 1203 N ARG A 77 4.935 -9.348 -15.279 1.00 0.65 N ATOM 1204 CA ARG A 77 5.763 -8.212 -15.634 1.00 0.67 C ATOM 1205 C ARG A 77 5.801 -7.210 -14.504 1.00 0.57 C ATOM 1206 O ARG A 77 4.791 -6.958 -13.840 1.00 0.56 O ATOM 1207 CB ARG A 77 5.258 -7.554 -16.920 1.00 0.79 C ATOM 1208 CG ARG A 77 5.941 -6.235 -17.255 1.00 1.22 C ATOM 1209 CD ARG A 77 5.416 -5.644 -18.553 1.00 1.46 C ATOM 1210 NE ARG A 77 5.908 -4.283 -18.772 1.00 2.14 N ATOM 1211 CZ ARG A 77 6.143 -3.756 -19.974 1.00 2.81 C ATOM 1212 NH1 ARG A 77 5.990 -4.488 -21.074 1.00 3.04 N ATOM 1213 NH2 ARG A 77 6.547 -2.495 -20.074 1.00 3.68 N ATOM 0 H ARG A 77 4.091 -9.116 -14.755 1.00 0.65 H new ATOM 0 HA ARG A 77 6.777 -8.571 -15.811 1.00 0.67 H new ATOM 0 HB2 ARG A 77 5.402 -8.246 -17.750 1.00 0.79 H new ATOM 0 HB3 ARG A 77 4.185 -7.383 -16.830 1.00 0.79 H new ATOM 0 HG2 ARG A 77 5.782 -5.526 -16.442 1.00 1.22 H new ATOM 0 HG3 ARG A 77 7.017 -6.392 -17.336 1.00 1.22 H new ATOM 0 HD2 ARG A 77 5.716 -6.277 -19.388 1.00 1.46 H new ATOM 0 HD3 ARG A 77 4.326 -5.637 -18.534 1.00 1.46 H new ATOM 0 HE ARG A 77 6.082 -3.701 -17.953 1.00 2.14 H new ATOM 0 HH11 ARG A 77 5.691 -5.460 -21.002 1.00 3.04 H new ATOM 0 HH12 ARG A 77 6.172 -4.077 -21.990 1.00 3.04 H new ATOM 0 HH21 ARG A 77 6.677 -1.933 -19.233 1.00 3.68 H new ATOM 0 HH22 ARG A 77 6.728 -2.089 -20.992 1.00 3.68 H new ATOM 1227 N TYR A 78 6.975 -6.658 -14.276 1.00 0.56 N ATOM 1228 CA TYR A 78 7.148 -5.657 -13.251 1.00 0.48 C ATOM 1229 C TYR A 78 6.689 -4.304 -13.774 1.00 0.47 C ATOM 1230 O TYR A 78 7.346 -3.694 -14.619 1.00 0.53 O ATOM 1231 CB TYR A 78 8.615 -5.579 -12.814 1.00 0.47 C ATOM 1232 CG TYR A 78 9.196 -6.898 -12.343 1.00 0.53 C ATOM 1233 CD1 TYR A 78 8.802 -7.489 -11.142 1.00 0.47 C ATOM 1234 CD2 TYR A 78 10.150 -7.552 -13.107 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.348 -8.688 -10.726 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.698 -8.749 -12.697 1.00 0.79 C ATOM 1237 CZ TYR A 78 10.296 -9.312 -11.509 1.00 0.70 C ATOM 1238 OH TYR A 78 10.854 -10.501 -11.097 1.00 0.80 O ATOM 0 H TYR A 78 7.825 -6.889 -14.791 1.00 0.56 H new ATOM 0 HA TYR A 78 6.546 -5.934 -12.386 1.00 0.48 H new ATOM 0 HB2 TYR A 78 9.211 -5.210 -13.648 1.00 0.47 H new ATOM 0 HB3 TYR A 78 8.704 -4.848 -12.010 1.00 0.47 H new ATOM 0 HD1 TYR A 78 8.059 -7.002 -10.528 1.00 0.47 H new ATOM 0 HD2 TYR A 78 10.470 -7.116 -14.042 1.00 0.70 H new ATOM 0 HE1 TYR A 78 9.034 -9.134 -9.794 1.00 0.54 H new ATOM 0 HE2 TYR A 78 11.440 -9.242 -13.307 1.00 0.79 H new ATOM 0 HH TYR A 78 11.503 -10.806 -11.765 1.00 0.80 H new ATOM 1248 N TRP A 79 5.549 -3.853 -13.289 1.00 0.47 N ATOM 1249 CA TRP A 79 5.075 -2.520 -13.589 1.00 0.51 C ATOM 1250 C TRP A 79 5.630 -1.597 -12.524 1.00 0.46 C ATOM 1251 O TRP A 79 5.213 -1.626 -11.365 1.00 0.45 O ATOM 1252 CB TRP A 79 3.540 -2.470 -13.653 1.00 0.61 C ATOM 1253 CG TRP A 79 2.989 -1.091 -13.871 1.00 0.72 C ATOM 1254 CD1 TRP A 79 2.918 -0.416 -15.058 1.00 1.33 C ATOM 1255 CD2 TRP A 79 2.430 -0.219 -12.882 1.00 1.44 C ATOM 1256 NE1 TRP A 79 2.351 0.820 -14.864 1.00 1.23 N ATOM 1257 CE2 TRP A 79 2.045 0.966 -13.538 1.00 1.32 C ATOM 1258 CE3 TRP A 79 2.221 -0.324 -11.504 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 1.460 2.035 -12.864 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 1.641 0.738 -10.836 1.00 3.53 C ATOM 1261 CH2 TRP A 79 1.267 1.903 -11.516 1.00 3.20 C ATOM 0 H TRP A 79 4.933 -4.394 -12.683 1.00 0.47 H new ATOM 0 HA TRP A 79 5.420 -2.203 -14.573 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.198 -3.120 -14.458 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.133 -2.871 -12.725 1.00 0.61 H new ATOM 0 HD1 TRP A 79 3.258 -0.799 -16.009 1.00 1.33 H new ATOM 0 HE1 TRP A 79 2.185 1.516 -15.591 1.00 1.23 H new ATOM 0 HE3 TRP A 79 2.507 -1.219 -10.971 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 1.169 2.935 -13.386 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 1.474 0.668 -9.771 1.00 3.53 H new ATOM 0 HH2 TRP A 79 0.816 2.715 -10.965 1.00 3.20 H new ATOM 1272 N ILE A 80 6.602 -0.808 -12.919 1.00 0.46 N ATOM 1273 CA ILE A 80 7.434 -0.110 -11.970 1.00 0.42 C ATOM 1274 C ILE A 80 7.115 1.373 -11.945 1.00 0.42 C ATOM 1275 O ILE A 80 7.132 2.050 -12.973 1.00 0.49 O ATOM 1276 CB ILE A 80 8.921 -0.372 -12.293 1.00 0.43 C ATOM 1277 CG1 ILE A 80 9.169 -1.883 -12.214 1.00 0.48 C ATOM 1278 CG2 ILE A 80 9.841 0.383 -11.339 1.00 0.40 C ATOM 1279 CD1 ILE A 80 10.481 -2.349 -12.799 1.00 0.55 C ATOM 0 H ILE A 80 6.836 -0.634 -13.896 1.00 0.46 H new ATOM 0 HA ILE A 80 7.227 -0.491 -10.970 1.00 0.42 H new ATOM 0 HB ILE A 80 9.145 -0.009 -13.296 1.00 0.43 H new ATOM 0 HG12 ILE A 80 9.127 -2.188 -11.168 1.00 0.48 H new ATOM 0 HG13 ILE A 80 8.357 -2.396 -12.729 1.00 0.48 H new ATOM 0 HG21 ILE A 80 10.880 0.176 -11.595 1.00 0.40 H new ATOM 0 HG22 ILE A 80 9.653 1.453 -11.423 1.00 0.40 H new ATOM 0 HG23 ILE A 80 9.648 0.060 -10.316 1.00 0.40 H new ATOM 0 HD11 ILE A 80 10.562 -3.431 -12.695 1.00 0.55 H new ATOM 0 HD12 ILE A 80 10.524 -2.082 -13.855 1.00 0.55 H new ATOM 0 HD13 ILE A 80 11.305 -1.871 -12.270 1.00 0.55 H new ATOM 1291 N ARG A 81 6.800 1.850 -10.755 1.00 0.41 N ATOM 1292 CA ARG A 81 6.429 3.238 -10.544 1.00 0.44 C ATOM 1293 C ARG A 81 7.465 3.883 -9.629 1.00 0.35 C ATOM 1294 O ARG A 81 8.491 3.276 -9.346 1.00 0.42 O ATOM 1295 CB ARG A 81 5.021 3.301 -9.931 1.00 0.57 C ATOM 1296 CG ARG A 81 4.304 4.636 -10.106 1.00 1.21 C ATOM 1297 CD ARG A 81 4.009 4.942 -11.572 1.00 1.97 C ATOM 1298 NE ARG A 81 5.179 5.464 -12.285 1.00 2.78 N ATOM 1299 CZ ARG A 81 5.115 6.358 -13.274 1.00 3.79 C ATOM 1300 NH1 ARG A 81 3.936 6.769 -13.734 1.00 4.16 N ATOM 1301 NH2 ARG A 81 6.237 6.815 -13.818 1.00 4.76 N ATOM 0 H ARG A 81 6.794 1.285 -9.906 1.00 0.41 H new ATOM 0 HA ARG A 81 6.408 3.782 -11.488 1.00 0.44 H new ATOM 0 HB2 ARG A 81 4.411 2.516 -10.377 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.094 3.081 -8.866 1.00 0.57 H new ATOM 0 HG2 ARG A 81 3.370 4.622 -9.544 1.00 1.21 H new ATOM 0 HG3 ARG A 81 4.917 5.434 -9.686 1.00 1.21 H new ATOM 0 HD2 ARG A 81 3.662 4.035 -12.066 1.00 1.97 H new ATOM 0 HD3 ARG A 81 3.198 5.668 -11.632 1.00 1.97 H new ATOM 0 HE ARG A 81 6.099 5.123 -12.008 1.00 2.78 H new ATOM 0 HH11 ARG A 81 3.075 6.401 -13.331 1.00 4.16 H new ATOM 0 HH12 ARG A 81 3.894 7.452 -14.490 1.00 4.16 H new ATOM 0 HH21 ARG A 81 7.140 6.483 -13.480 1.00 4.76 H new ATOM 0 HH22 ARG A 81 6.196 7.498 -14.574 1.00 4.76 H new ATOM 1315 N THR A 82 7.214 5.098 -9.173 1.00 0.41 N ATOM 1316 CA THR A 82 8.179 5.798 -8.344 1.00 0.35 C ATOM 1317 C THR A 82 7.545 6.263 -7.039 1.00 0.32 C ATOM 1318 O THR A 82 6.473 6.866 -7.042 1.00 0.36 O ATOM 1319 CB THR A 82 8.783 7.004 -9.102 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.305 6.563 -10.364 1.00 0.45 O ATOM 1321 CG2 THR A 82 9.899 7.676 -8.302 1.00 0.36 C ATOM 0 H THR A 82 6.356 5.617 -9.361 1.00 0.41 H new ATOM 0 HA THR A 82 8.980 5.098 -8.107 1.00 0.35 H new ATOM 0 HB THR A 82 7.989 7.735 -9.253 1.00 0.38 H new ATOM 0 HG1 THR A 82 9.686 7.327 -10.845 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.297 8.518 -8.869 1.00 0.36 H new ATOM 0 HG22 THR A 82 9.501 8.033 -7.352 1.00 0.36 H new ATOM 0 HG23 THR A 82 10.696 6.956 -8.114 1.00 0.36 H new ATOM 1329 N PHE A 83 8.198 5.946 -5.932 1.00 0.27 N ATOM 1330 CA PHE A 83 7.806 6.447 -4.620 1.00 0.26 C ATOM 1331 C PHE A 83 8.843 7.449 -4.148 1.00 0.26 C ATOM 1332 O PHE A 83 10.040 7.214 -4.272 1.00 0.36 O ATOM 1333 CB PHE A 83 7.688 5.312 -3.586 1.00 0.26 C ATOM 1334 CG PHE A 83 6.376 4.567 -3.580 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.193 5.202 -3.243 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.335 3.220 -3.894 1.00 0.33 C ATOM 1337 CE1 PHE A 83 3.997 4.504 -3.226 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.153 2.515 -3.879 1.00 0.38 C ATOM 1339 CZ PHE A 83 3.977 3.157 -3.546 1.00 0.42 C ATOM 0 H PHE A 83 9.014 5.335 -5.916 1.00 0.27 H new ATOM 0 HA PHE A 83 6.827 6.917 -4.713 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.490 4.596 -3.766 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.851 5.731 -2.593 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.203 6.252 -2.991 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.250 2.711 -4.157 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.080 5.010 -2.963 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.145 1.464 -4.127 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.045 2.611 -3.535 1.00 0.42 H new ATOM 1349 N VAL A 84 8.383 8.560 -3.626 1.00 0.24 N ATOM 1350 CA VAL A 84 9.269 9.612 -3.164 1.00 0.24 C ATOM 1351 C VAL A 84 8.826 10.114 -1.797 1.00 0.24 C ATOM 1352 O VAL A 84 7.629 10.163 -1.501 1.00 0.27 O ATOM 1353 CB VAL A 84 9.303 10.800 -4.151 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.087 10.451 -5.410 1.00 0.30 C ATOM 1355 CG2 VAL A 84 7.891 11.228 -4.510 1.00 0.29 C ATOM 0 H VAL A 84 7.391 8.764 -3.508 1.00 0.24 H new ATOM 0 HA VAL A 84 10.270 9.187 -3.097 1.00 0.24 H new ATOM 0 HB VAL A 84 9.810 11.630 -3.660 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.092 11.307 -6.084 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.112 10.194 -5.141 1.00 0.30 H new ATOM 0 HG13 VAL A 84 9.619 9.601 -5.907 1.00 0.30 H new ATOM 0 HG21 VAL A 84 7.931 12.066 -5.206 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.365 10.394 -4.975 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.362 11.532 -3.607 1.00 0.29 H new ATOM 1365 N PRO A 85 9.788 10.456 -0.933 1.00 0.35 N ATOM 1366 CA PRO A 85 9.497 11.082 0.353 1.00 0.34 C ATOM 1367 C PRO A 85 8.901 12.466 0.152 1.00 0.38 C ATOM 1368 O PRO A 85 9.436 13.277 -0.604 1.00 0.52 O ATOM 1369 CB PRO A 85 10.865 11.174 1.036 1.00 0.49 C ATOM 1370 CG PRO A 85 11.860 11.101 -0.070 1.00 0.78 C ATOM 1371 CD PRO A 85 11.231 10.259 -1.143 1.00 0.56 C ATOM 0 HA PRO A 85 8.771 10.521 0.941 1.00 0.34 H new ATOM 0 HB2 PRO A 85 10.964 12.105 1.594 1.00 0.49 H new ATOM 0 HB3 PRO A 85 11.006 10.360 1.747 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.099 12.096 -0.446 1.00 0.78 H new ATOM 0 HG3 PRO A 85 12.794 10.658 0.275 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.539 10.581 -2.138 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.511 9.210 -1.046 1.00 0.56 H new ATOM 1379 N SER A 86 7.781 12.717 0.814 1.00 0.34 N ATOM 1380 CA SER A 86 7.082 13.987 0.693 1.00 0.46 C ATOM 1381 C SER A 86 7.842 15.091 1.439 1.00 0.58 C ATOM 1382 O SER A 86 9.071 15.151 1.399 1.00 0.93 O ATOM 1383 CB SER A 86 5.669 13.837 1.258 1.00 0.53 C ATOM 1384 OG SER A 86 5.710 13.457 2.621 1.00 1.27 O ATOM 0 H SER A 86 7.334 12.052 1.445 1.00 0.34 H new ATOM 0 HA SER A 86 7.024 14.269 -0.358 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.129 14.778 1.154 1.00 0.53 H new ATOM 0 HB3 SER A 86 5.120 13.090 0.684 1.00 0.53 H new ATOM 0 HG SER A 86 5.943 12.507 2.689 1.00 1.27 H new ATOM 1390 N SER A 87 7.110 15.958 2.125 1.00 0.75 N ATOM 1391 CA SER A 87 7.720 16.999 2.935 1.00 0.90 C ATOM 1392 C SER A 87 8.529 16.387 4.083 1.00 0.79 C ATOM 1393 O SER A 87 9.417 17.028 4.642 1.00 0.89 O ATOM 1394 CB SER A 87 6.636 17.931 3.482 1.00 1.12 C ATOM 1395 OG SER A 87 5.777 18.382 2.444 1.00 1.70 O ATOM 0 H SER A 87 6.090 15.959 2.135 1.00 0.75 H new ATOM 0 HA SER A 87 8.402 17.576 2.310 1.00 0.90 H new ATOM 0 HB2 SER A 87 6.052 17.409 4.240 1.00 1.12 H new ATOM 0 HB3 SER A 87 7.101 18.787 3.971 1.00 1.12 H new ATOM 0 HG SER A 87 5.093 18.974 2.820 1.00 1.70 H new ATOM 1401 N ARG A 88 8.222 15.137 4.422 1.00 0.64 N ATOM 1402 CA ARG A 88 8.927 14.434 5.490 1.00 0.58 C ATOM 1403 C ARG A 88 9.004 12.938 5.196 1.00 0.49 C ATOM 1404 O ARG A 88 8.031 12.330 4.743 1.00 0.46 O ATOM 1405 CB ARG A 88 8.260 14.668 6.858 1.00 0.66 C ATOM 1406 CG ARG A 88 6.741 14.566 6.850 1.00 0.75 C ATOM 1407 CD ARG A 88 6.101 15.907 6.529 1.00 1.11 C ATOM 1408 NE ARG A 88 4.653 15.814 6.373 1.00 1.51 N ATOM 1409 CZ ARG A 88 3.851 16.868 6.234 1.00 1.84 C ATOM 1410 NH1 ARG A 88 4.344 18.098 6.286 1.00 1.95 N ATOM 1411 NH2 ARG A 88 2.550 16.691 6.054 1.00 2.59 N ATOM 0 H ARG A 88 7.488 14.590 3.972 1.00 0.64 H new ATOM 0 HA ARG A 88 9.938 14.839 5.532 1.00 0.58 H new ATOM 0 HB2 ARG A 88 8.656 13.943 7.569 1.00 0.66 H new ATOM 0 HB3 ARG A 88 8.542 15.656 7.221 1.00 0.66 H new ATOM 0 HG2 ARG A 88 6.428 13.825 6.114 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.392 14.217 7.822 1.00 0.75 H new ATOM 0 HD2 ARG A 88 6.332 16.616 7.324 1.00 1.11 H new ATOM 0 HD3 ARG A 88 6.537 16.303 5.612 1.00 1.11 H new ATOM 0 HE ARG A 88 4.230 14.886 6.370 1.00 1.51 H new ATOM 0 HH11 ARG A 88 5.343 18.241 6.433 1.00 1.95 H new ATOM 0 HH12 ARG A 88 3.724 18.901 6.179 1.00 1.95 H new ATOM 0 HH21 ARG A 88 2.163 15.748 6.022 1.00 2.59 H new ATOM 0 HH22 ARG A 88 1.935 17.498 5.948 1.00 2.59 H new ATOM 1425 N PRO A 89 10.182 12.334 5.435 1.00 0.49 N ATOM 1426 CA PRO A 89 10.396 10.896 5.248 1.00 0.48 C ATOM 1427 C PRO A 89 9.444 10.064 6.101 1.00 0.48 C ATOM 1428 O PRO A 89 9.184 10.390 7.259 1.00 0.62 O ATOM 1429 CB PRO A 89 11.850 10.676 5.690 1.00 0.58 C ATOM 1430 CG PRO A 89 12.209 11.887 6.479 1.00 0.70 C ATOM 1431 CD PRO A 89 11.401 13.012 5.902 1.00 0.56 C ATOM 0 HA PRO A 89 10.210 10.588 4.219 1.00 0.48 H new ATOM 0 HB2 PRO A 89 11.946 9.772 6.292 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.509 10.558 4.830 1.00 0.58 H new ATOM 0 HG2 PRO A 89 11.982 11.746 7.536 1.00 0.70 H new ATOM 0 HG3 PRO A 89 13.276 12.097 6.408 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.179 13.774 6.649 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.925 13.509 5.086 1.00 0.56 H new ATOM 1439 N GLY A 90 8.937 8.987 5.522 1.00 0.41 N ATOM 1440 CA GLY A 90 7.918 8.201 6.178 1.00 0.42 C ATOM 1441 C GLY A 90 6.571 8.432 5.537 1.00 0.38 C ATOM 1442 O GLY A 90 5.804 7.496 5.326 1.00 0.43 O ATOM 0 H GLY A 90 9.216 8.643 4.603 1.00 0.41 H new ATOM 0 HA2 GLY A 90 8.176 7.143 6.123 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.873 8.464 7.235 1.00 0.42 H new ATOM 1446 N GLN A 91 6.301 9.691 5.220 1.00 0.33 N ATOM 1447 CA GLN A 91 5.133 10.052 4.434 1.00 0.31 C ATOM 1448 C GLN A 91 5.545 10.036 2.974 1.00 0.26 C ATOM 1449 O GLN A 91 6.361 10.856 2.543 1.00 0.30 O ATOM 1450 CB GLN A 91 4.620 11.443 4.820 1.00 0.39 C ATOM 1451 CG GLN A 91 3.354 11.839 4.073 1.00 0.61 C ATOM 1452 CD GLN A 91 2.881 13.240 4.413 1.00 0.61 C ATOM 1453 OE1 GLN A 91 3.096 13.733 5.520 1.00 1.11 O ATOM 1454 NE2 GLN A 91 2.217 13.883 3.465 1.00 1.03 N ATOM 0 H GLN A 91 6.880 10.483 5.498 1.00 0.33 H new ATOM 0 HA GLN A 91 4.325 9.344 4.619 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.425 11.468 5.892 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.398 12.179 4.620 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.536 11.773 3.000 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.562 11.127 4.307 1.00 0.61 H new ATOM 0 HE21 GLN A 91 2.060 13.438 2.561 1.00 1.03 H new ATOM 0 HE22 GLN A 91 1.862 14.823 3.639 1.00 1.03 H new ATOM 1463 N PHE A 92 5.003 9.110 2.212 1.00 0.24 N ATOM 1464 CA PHE A 92 5.458 8.910 0.859 1.00 0.24 C ATOM 1465 C PHE A 92 4.395 9.289 -0.144 1.00 0.26 C ATOM 1466 O PHE A 92 3.200 9.247 0.138 1.00 0.35 O ATOM 1467 CB PHE A 92 5.902 7.464 0.650 1.00 0.31 C ATOM 1468 CG PHE A 92 7.128 7.107 1.438 1.00 0.33 C ATOM 1469 CD1 PHE A 92 8.340 7.717 1.161 1.00 0.32 C ATOM 1470 CD2 PHE A 92 7.074 6.159 2.445 1.00 0.42 C ATOM 1471 CE1 PHE A 92 9.476 7.393 1.874 1.00 0.40 C ATOM 1472 CE2 PHE A 92 8.207 5.832 3.165 1.00 0.50 C ATOM 1473 CZ PHE A 92 9.409 6.449 2.878 1.00 0.48 C ATOM 0 H PHE A 92 4.250 8.488 2.507 1.00 0.24 H new ATOM 0 HA PHE A 92 6.314 9.565 0.697 1.00 0.24 H new ATOM 0 HB2 PHE A 92 5.088 6.796 0.932 1.00 0.31 H new ATOM 0 HB3 PHE A 92 6.097 7.299 -0.410 1.00 0.31 H new ATOM 0 HD1 PHE A 92 8.397 8.457 0.376 1.00 0.32 H new ATOM 0 HD2 PHE A 92 6.138 5.670 2.670 1.00 0.42 H new ATOM 0 HE1 PHE A 92 10.415 7.877 1.647 1.00 0.40 H new ATOM 0 HE2 PHE A 92 8.153 5.094 3.952 1.00 0.50 H new ATOM 0 HZ PHE A 92 10.296 6.193 3.439 1.00 0.48 H new ATOM 1483 N THR A 93 4.861 9.682 -1.301 1.00 0.23 N ATOM 1484 CA THR A 93 4.018 10.047 -2.410 1.00 0.27 C ATOM 1485 C THR A 93 4.649 9.492 -3.673 1.00 0.26 C ATOM 1486 O THR A 93 5.683 8.827 -3.605 1.00 0.25 O ATOM 1487 CB THR A 93 3.804 11.578 -2.511 1.00 0.35 C ATOM 1488 OG1 THR A 93 2.986 11.904 -3.640 1.00 1.29 O ATOM 1489 CG2 THR A 93 5.124 12.346 -2.577 1.00 0.92 C ATOM 0 H THR A 93 5.858 9.759 -1.503 1.00 0.23 H new ATOM 0 HA THR A 93 3.025 9.623 -2.263 1.00 0.27 H new ATOM 0 HB THR A 93 3.292 11.885 -1.599 1.00 0.35 H new ATOM 0 HG1 THR A 93 2.041 11.833 -3.391 1.00 1.29 H new ATOM 0 HG21 THR A 93 4.920 13.414 -2.647 1.00 0.92 H new ATOM 0 HG22 THR A 93 5.707 12.146 -1.678 1.00 0.92 H new ATOM 0 HG23 THR A 93 5.688 12.026 -3.453 1.00 0.92 H new ATOM 1497 N LEU A 94 4.048 9.741 -4.810 1.00 0.34 N ATOM 1498 CA LEU A 94 4.542 9.144 -6.046 1.00 0.37 C ATOM 1499 C LEU A 94 5.505 10.086 -6.743 1.00 0.34 C ATOM 1500 O LEU A 94 5.257 11.289 -6.858 1.00 0.39 O ATOM 1501 CB LEU A 94 3.407 8.801 -7.021 1.00 0.54 C ATOM 1502 CG LEU A 94 2.485 7.652 -6.613 1.00 0.50 C ATOM 1503 CD1 LEU A 94 3.243 6.582 -5.850 1.00 0.88 C ATOM 1504 CD2 LEU A 94 1.301 8.167 -5.820 1.00 0.75 C ATOM 0 H LEU A 94 3.230 10.341 -4.916 1.00 0.34 H new ATOM 0 HA LEU A 94 5.049 8.221 -5.763 1.00 0.37 H new ATOM 0 HB2 LEU A 94 2.798 9.694 -7.164 1.00 0.54 H new ATOM 0 HB3 LEU A 94 3.848 8.558 -7.988 1.00 0.54 H new ATOM 0 HG LEU A 94 2.100 7.190 -7.522 1.00 0.50 H new ATOM 0 HD11 LEU A 94 2.560 5.779 -5.574 1.00 0.88 H new ATOM 0 HD12 LEU A 94 4.039 6.182 -6.478 1.00 0.88 H new ATOM 0 HD13 LEU A 94 3.676 7.016 -4.949 1.00 0.88 H new ATOM 0 HD21 LEU A 94 0.659 7.332 -5.541 1.00 0.75 H new ATOM 0 HD22 LEU A 94 1.656 8.668 -4.920 1.00 0.75 H new ATOM 0 HD23 LEU A 94 0.735 8.872 -6.428 1.00 0.75 H new ATOM 1516 N GLY A 95 6.615 9.486 -7.192 1.00 0.32 N ATOM 1517 CA GLY A 95 7.708 10.195 -7.839 1.00 0.34 C ATOM 1518 C GLY A 95 7.232 11.144 -8.905 1.00 0.46 C ATOM 1519 O GLY A 95 7.814 12.208 -9.109 1.00 0.88 O ATOM 0 H GLY A 95 6.774 8.482 -7.111 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.271 10.750 -7.088 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.394 9.472 -8.281 1.00 0.34 H new ATOM 1523 N ASN A 96 6.178 10.742 -9.591 1.00 0.57 N ATOM 1524 CA ASN A 96 5.492 11.623 -10.504 1.00 0.71 C ATOM 1525 C ASN A 96 3.984 11.507 -10.297 1.00 0.61 C ATOM 1526 O ASN A 96 3.237 11.178 -11.218 1.00 0.66 O ATOM 1527 CB ASN A 96 5.853 11.327 -11.964 1.00 0.98 C ATOM 1528 CG ASN A 96 5.430 12.457 -12.891 1.00 1.89 C ATOM 1529 OD1 ASN A 96 4.503 13.210 -12.588 1.00 2.72 O ATOM 1530 ND2 ASN A 96 6.096 12.583 -14.025 1.00 2.42 N ATOM 0 H ASN A 96 5.780 9.805 -9.529 1.00 0.57 H new ATOM 0 HA ASN A 96 5.813 12.643 -10.291 1.00 0.71 H new ATOM 0 HB2 ASN A 96 6.929 11.171 -12.048 1.00 0.98 H new ATOM 0 HB3 ASN A 96 5.371 10.401 -12.277 1.00 0.98 H new ATOM 0 HD21 ASN A 96 5.848 13.322 -14.683 1.00 2.42 H new ATOM 0 HD22 ASN A 96 6.858 11.941 -14.243 1.00 2.42 H new ATOM 1537 N ILE A 97 3.538 11.743 -9.067 1.00 0.55 N ATOM 1538 CA ILE A 97 2.110 11.884 -8.804 1.00 0.57 C ATOM 1539 C ILE A 97 1.657 13.210 -9.363 1.00 0.74 C ATOM 1540 O ILE A 97 0.543 13.345 -9.827 1.00 0.88 O ATOM 1541 CB ILE A 97 1.751 11.853 -7.289 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.223 11.902 -7.103 1.00 0.68 C ATOM 1543 CG2 ILE A 97 2.424 13.007 -6.547 1.00 0.60 C ATOM 1544 CD1 ILE A 97 -0.432 10.549 -7.213 1.00 1.20 C ATOM 0 H ILE A 97 4.136 11.840 -8.246 1.00 0.55 H new ATOM 0 HA ILE A 97 1.612 11.036 -9.273 1.00 0.57 H new ATOM 0 HB ILE A 97 2.122 10.920 -6.865 1.00 0.54 H new ATOM 0 HG12 ILE A 97 -0.004 12.330 -6.127 1.00 0.68 H new ATOM 0 HG13 ILE A 97 -0.206 12.568 -7.851 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.158 12.964 -5.491 1.00 0.60 H new ATOM 0 HG22 ILE A 97 3.506 12.926 -6.653 1.00 0.60 H new ATOM 0 HG23 ILE A 97 2.088 13.955 -6.968 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -1.508 10.653 -7.072 1.00 1.20 H new ATOM 0 HD12 ILE A 97 -0.234 10.128 -8.199 1.00 1.20 H new ATOM 0 HD13 ILE A 97 -0.029 9.886 -6.448 1.00 1.20 H new ATOM 1556 N HIS A 98 2.584 14.152 -9.377 1.00 0.85 N ATOM 1557 CA HIS A 98 2.281 15.556 -9.599 1.00 1.12 C ATOM 1558 C HIS A 98 1.896 15.876 -11.049 1.00 1.14 C ATOM 1559 O HIS A 98 1.730 17.038 -11.409 1.00 1.38 O ATOM 1560 CB HIS A 98 3.437 16.420 -9.080 1.00 1.38 C ATOM 1561 CG HIS A 98 4.764 16.225 -9.767 1.00 2.01 C ATOM 1562 ND1 HIS A 98 5.513 17.273 -10.257 1.00 2.88 N ATOM 1563 CD2 HIS A 98 5.497 15.108 -9.999 1.00 2.69 C ATOM 1564 CE1 HIS A 98 6.644 16.810 -10.758 1.00 3.63 C ATOM 1565 NE2 HIS A 98 6.658 15.499 -10.615 1.00 3.56 N ATOM 0 H HIS A 98 3.576 13.963 -9.234 1.00 0.85 H new ATOM 0 HA HIS A 98 1.386 15.800 -9.027 1.00 1.12 H new ATOM 0 HB2 HIS A 98 3.152 17.468 -9.173 1.00 1.38 H new ATOM 0 HB3 HIS A 98 3.567 16.218 -8.017 1.00 1.38 H new ATOM 0 HD2 HIS A 98 5.218 14.096 -9.745 1.00 2.69 H new ATOM 0 HE1 HIS A 98 7.425 17.404 -11.209 1.00 3.63 H new ATOM 0 HE2 HIS A 98 7.410 14.878 -10.914 1.00 3.56 H new ATOM 1574 N SER A 99 1.759 14.848 -11.877 1.00 0.99 N ATOM 1575 CA SER A 99 1.105 14.997 -13.171 1.00 1.16 C ATOM 1576 C SER A 99 -0.388 14.672 -13.036 1.00 1.22 C ATOM 1577 O SER A 99 -1.117 14.607 -14.026 1.00 1.30 O ATOM 1578 CB SER A 99 1.746 14.076 -14.214 1.00 1.24 C ATOM 1579 OG SER A 99 3.086 14.448 -14.485 1.00 1.79 O ATOM 0 H SER A 99 2.091 13.905 -11.677 1.00 0.99 H new ATOM 0 HA SER A 99 1.225 16.028 -13.503 1.00 1.16 H new ATOM 0 HB2 SER A 99 1.719 13.047 -13.857 1.00 1.24 H new ATOM 0 HB3 SER A 99 1.165 14.109 -15.136 1.00 1.24 H new ATOM 0 HG SER A 99 3.695 13.839 -14.018 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.814 14.429 -11.795 1.00 1.23 N ATOM 1586 CA TYR A 100 -2.206 14.121 -11.482 1.00 1.30 C ATOM 1587 C TYR A 100 -3.169 15.198 -11.966 1.00 1.17 C ATOM 1588 O TYR A 100 -2.910 16.394 -11.835 1.00 1.30 O ATOM 1589 CB TYR A 100 -2.378 13.924 -9.971 1.00 1.63 C ATOM 1590 CG TYR A 100 -2.110 15.154 -9.110 1.00 2.74 C ATOM 1591 CD1 TYR A 100 -3.064 16.152 -8.959 1.00 3.75 C ATOM 1592 CD2 TYR A 100 -0.906 15.304 -8.436 1.00 2.85 C ATOM 1593 CE1 TYR A 100 -2.822 17.256 -8.169 1.00 4.83 C ATOM 1594 CE2 TYR A 100 -0.660 16.403 -7.641 1.00 3.91 C ATOM 1595 CZ TYR A 100 -1.619 17.377 -7.512 1.00 4.89 C ATOM 1596 OH TYR A 100 -1.379 18.472 -6.714 1.00 5.98 O ATOM 0 H TYR A 100 -0.201 14.441 -10.980 1.00 1.23 H new ATOM 0 HA TYR A 100 -2.450 13.200 -12.011 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -3.396 13.585 -9.781 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -1.710 13.125 -9.649 1.00 1.63 H new ATOM 0 HD1 TYR A 100 -4.012 16.062 -9.469 1.00 3.75 H new ATOM 0 HD2 TYR A 100 -0.146 14.544 -8.537 1.00 2.85 H new ATOM 0 HE1 TYR A 100 -3.575 18.024 -8.066 1.00 4.83 H new ATOM 0 HE2 TYR A 100 0.283 16.497 -7.122 1.00 3.91 H new ATOM 0 HH TYR A 100 -0.483 18.402 -6.323 1.00 5.98 H new ATOM 1606 N PRO A 101 -4.286 14.773 -12.570 1.00 1.09 N ATOM 1607 CA PRO A 101 -5.366 15.678 -12.936 1.00 1.04 C ATOM 1608 C PRO A 101 -6.272 16.037 -11.750 1.00 0.89 C ATOM 1609 O PRO A 101 -6.501 17.211 -11.471 1.00 0.94 O ATOM 1610 CB PRO A 101 -6.141 14.885 -13.989 1.00 1.19 C ATOM 1611 CG PRO A 101 -5.896 13.447 -13.661 1.00 1.28 C ATOM 1612 CD PRO A 101 -4.561 13.378 -12.962 1.00 1.21 C ATOM 0 HA PRO A 101 -4.990 16.638 -13.291 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -7.205 15.120 -13.954 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -5.794 15.123 -14.995 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -6.687 13.057 -13.021 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -5.890 12.840 -14.566 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -4.600 12.720 -12.094 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -3.785 12.989 -13.622 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.780 15.021 -11.049 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.758 15.243 -9.981 1.00 0.74 C ATOM 1622 C GLN A 102 -7.259 14.760 -8.622 1.00 0.63 C ATOM 1623 O GLN A 102 -8.008 14.785 -7.643 1.00 0.59 O ATOM 1624 CB GLN A 102 -9.066 14.528 -10.312 1.00 0.83 C ATOM 1625 CG GLN A 102 -8.976 13.018 -10.189 1.00 0.98 C ATOM 1626 CD GLN A 102 -10.201 12.316 -10.740 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -10.570 11.234 -10.282 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -10.832 12.922 -11.732 1.00 1.73 N ATOM 0 H GLN A 102 -6.533 14.043 -11.200 1.00 0.82 H new ATOM 0 HA GLN A 102 -7.917 16.320 -9.917 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -9.849 14.893 -9.648 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -9.365 14.785 -11.328 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -8.091 12.666 -10.718 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -8.848 12.749 -9.140 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -10.492 13.818 -12.081 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -11.659 12.493 -12.148 1.00 1.73 H new ATOM 1637 N ILE A 103 -6.021 14.292 -8.561 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.500 13.716 -7.327 1.00 0.51 C ATOM 1639 C ILE A 103 -5.212 14.811 -6.304 1.00 0.52 C ATOM 1640 O ILE A 103 -4.152 15.428 -6.293 1.00 0.65 O ATOM 1641 CB ILE A 103 -4.239 12.848 -7.583 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -4.633 11.629 -8.426 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.584 12.413 -6.268 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -3.459 10.867 -8.994 1.00 1.10 C ATOM 0 H ILE A 103 -5.364 14.298 -9.341 1.00 0.60 H new ATOM 0 HA ILE A 103 -6.267 13.057 -6.921 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.504 13.443 -8.125 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -5.228 10.953 -7.812 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -5.270 11.959 -9.247 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.704 11.807 -6.483 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -3.287 13.295 -5.700 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -4.294 11.827 -5.684 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -3.822 10.021 -9.577 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -2.874 11.525 -9.636 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -2.832 10.504 -8.179 1.00 1.10 H new ATOM 1656 N GLN A 104 -6.200 15.032 -5.457 1.00 0.45 N ATOM 1657 CA GLN A 104 -6.164 16.053 -4.422 1.00 0.48 C ATOM 1658 C GLN A 104 -4.911 15.896 -3.573 1.00 0.50 C ATOM 1659 O GLN A 104 -4.245 16.874 -3.224 1.00 0.63 O ATOM 1660 CB GLN A 104 -7.430 15.916 -3.569 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.620 15.409 -4.376 1.00 0.43 C ATOM 1662 CD GLN A 104 -9.312 16.481 -5.205 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -10.508 16.393 -5.459 1.00 1.40 O ATOM 1664 NE2 GLN A 104 -8.573 17.495 -5.632 1.00 0.98 N ATOM 0 H GLN A 104 -7.068 14.497 -5.468 1.00 0.45 H new ATOM 0 HA GLN A 104 -6.134 17.047 -4.869 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -7.236 15.232 -2.743 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.677 16.883 -3.131 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -8.282 14.613 -5.040 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -9.346 14.968 -3.694 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -7.580 17.535 -5.401 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -8.997 18.235 -6.191 1.00 0.98 H new ATOM 1673 N SER A 105 -4.590 14.651 -3.265 1.00 0.40 N ATOM 1674 CA SER A 105 -3.362 14.316 -2.576 1.00 0.41 C ATOM 1675 C SER A 105 -3.127 12.815 -2.642 1.00 0.36 C ATOM 1676 O SER A 105 -4.082 12.034 -2.749 1.00 0.39 O ATOM 1677 CB SER A 105 -3.416 14.777 -1.115 1.00 0.48 C ATOM 1678 OG SER A 105 -4.512 14.190 -0.431 1.00 1.13 O ATOM 0 H SER A 105 -5.176 13.846 -3.487 1.00 0.40 H new ATOM 0 HA SER A 105 -2.536 14.831 -3.067 1.00 0.41 H new ATOM 0 HB2 SER A 105 -2.486 14.511 -0.613 1.00 0.48 H new ATOM 0 HB3 SER A 105 -3.500 15.863 -1.077 1.00 0.48 H new ATOM 0 HG SER A 105 -4.521 14.500 0.499 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.868 12.421 -2.636 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.520 11.032 -2.437 1.00 0.34 C ATOM 1686 C TYR A 106 -0.380 10.944 -1.442 1.00 0.36 C ATOM 1687 O TYR A 106 0.745 11.362 -1.728 1.00 0.40 O ATOM 1688 CB TYR A 106 -1.134 10.319 -3.737 1.00 0.37 C ATOM 1689 CG TYR A 106 -1.126 8.816 -3.563 1.00 0.38 C ATOM 1690 CD1 TYR A 106 -0.041 8.175 -2.980 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -2.219 8.046 -3.935 1.00 0.39 C ATOM 1692 CE1 TYR A 106 -0.038 6.809 -2.779 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -2.224 6.677 -3.746 1.00 0.43 C ATOM 1694 CZ TYR A 106 -1.133 6.064 -3.166 1.00 0.46 C ATOM 1695 OH TYR A 106 -1.139 4.700 -2.976 1.00 0.52 O ATOM 0 H TYR A 106 -1.071 13.045 -2.767 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.406 10.525 -2.054 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.836 10.591 -4.525 1.00 0.37 H new ATOM 0 HB3 TYR A 106 -0.148 10.655 -4.058 1.00 0.37 H new ATOM 0 HD1 TYR A 106 0.818 8.756 -2.678 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -3.079 8.524 -4.379 1.00 0.39 H new ATOM 0 HE1 TYR A 106 0.814 6.328 -2.323 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -3.078 6.090 -4.051 1.00 0.43 H new ATOM 0 HH TYR A 106 -1.985 4.328 -3.302 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.686 10.411 -0.278 1.00 0.34 N ATOM 1706 CA ASP A 107 0.278 10.313 0.800 1.00 0.36 C ATOM 1707 C ASP A 107 0.086 9.022 1.567 1.00 0.38 C ATOM 1708 O ASP A 107 -1.032 8.546 1.740 1.00 0.46 O ATOM 1709 CB ASP A 107 0.167 11.517 1.743 1.00 0.48 C ATOM 1710 CG ASP A 107 -1.269 11.928 2.009 1.00 1.27 C ATOM 1711 OD1 ASP A 107 -1.881 11.398 2.954 1.00 2.25 O ATOM 1712 OD2 ASP A 107 -1.783 12.803 1.276 1.00 1.31 O ATOM 0 H ASP A 107 -1.607 10.034 -0.052 1.00 0.34 H new ATOM 0 HA ASP A 107 1.277 10.313 0.363 1.00 0.36 H new ATOM 0 HB2 ASP A 107 0.652 11.277 2.689 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.707 12.360 1.313 1.00 0.48 H new ATOM 1717 N VAL A 108 1.190 8.437 1.985 1.00 0.38 N ATOM 1718 CA VAL A 108 1.164 7.187 2.728 1.00 0.44 C ATOM 1719 C VAL A 108 2.242 7.176 3.808 1.00 0.47 C ATOM 1720 O VAL A 108 3.373 7.579 3.559 1.00 0.58 O ATOM 1721 CB VAL A 108 1.343 5.963 1.776 1.00 0.48 C ATOM 1722 CG1 VAL A 108 1.809 6.398 0.396 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.320 4.943 2.345 1.00 0.70 C ATOM 0 H VAL A 108 2.126 8.809 1.822 1.00 0.38 H new ATOM 0 HA VAL A 108 0.189 7.108 3.208 1.00 0.44 H new ATOM 0 HB VAL A 108 0.364 5.493 1.687 1.00 0.48 H new ATOM 0 HG11 VAL A 108 1.924 5.522 -0.242 1.00 0.68 H new ATOM 0 HG12 VAL A 108 1.072 7.071 -0.041 1.00 0.68 H new ATOM 0 HG13 VAL A 108 2.766 6.913 0.481 1.00 0.68 H new ATOM 0 HG21 VAL A 108 2.417 4.107 1.653 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.294 5.412 2.487 1.00 0.70 H new ATOM 0 HG23 VAL A 108 1.949 4.580 3.304 1.00 0.70 H new ATOM 1733 N GLN A 109 1.884 6.739 5.009 1.00 0.44 N ATOM 1734 CA GLN A 109 2.871 6.535 6.064 1.00 0.50 C ATOM 1735 C GLN A 109 2.812 5.104 6.551 1.00 0.30 C ATOM 1736 O GLN A 109 1.732 4.520 6.666 1.00 0.29 O ATOM 1737 CB GLN A 109 2.663 7.454 7.273 1.00 0.85 C ATOM 1738 CG GLN A 109 2.725 8.939 6.979 1.00 0.92 C ATOM 1739 CD GLN A 109 3.365 9.719 8.111 1.00 2.08 C ATOM 1740 OE1 GLN A 109 4.554 10.020 8.076 1.00 2.86 O ATOM 1741 NE2 GLN A 109 2.588 10.019 9.140 1.00 2.81 N ATOM 0 H GLN A 109 0.924 6.520 5.277 1.00 0.44 H new ATOM 0 HA GLN A 109 3.840 6.770 5.623 1.00 0.50 H new ATOM 0 HB2 GLN A 109 1.693 7.229 7.716 1.00 0.85 H new ATOM 0 HB3 GLN A 109 3.419 7.217 8.022 1.00 0.85 H new ATOM 0 HG2 GLN A 109 3.290 9.103 6.062 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.717 9.316 6.804 1.00 0.92 H new ATOM 0 HE21 GLN A 109 1.604 9.751 9.131 1.00 2.81 H new ATOM 0 HE22 GLN A 109 2.974 10.518 9.942 1.00 2.81 H new ATOM 1750 N VAL A 110 3.970 4.540 6.829 1.00 0.33 N ATOM 1751 CA VAL A 110 4.038 3.231 7.436 1.00 0.27 C ATOM 1752 C VAL A 110 4.122 3.393 8.955 1.00 0.30 C ATOM 1753 O VAL A 110 4.989 4.103 9.465 1.00 0.41 O ATOM 1754 CB VAL A 110 5.245 2.420 6.896 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.565 3.116 7.185 1.00 0.76 C ATOM 1756 CG2 VAL A 110 5.251 1.010 7.468 1.00 0.77 C ATOM 0 H VAL A 110 4.876 4.970 6.643 1.00 0.33 H new ATOM 0 HA VAL A 110 3.139 2.671 7.179 1.00 0.27 H new ATOM 0 HB VAL A 110 5.133 2.356 5.814 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.386 2.517 6.791 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.571 4.097 6.709 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.686 3.234 8.262 1.00 0.76 H new ATOM 0 HG21 VAL A 110 6.107 0.461 7.074 1.00 0.77 H new ATOM 0 HG22 VAL A 110 5.320 1.059 8.555 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.331 0.499 7.185 1.00 0.77 H new ATOM 1766 N ALA A 111 3.195 2.769 9.667 1.00 0.29 N ATOM 1767 CA ALA A 111 3.108 2.920 11.116 1.00 0.36 C ATOM 1768 C ALA A 111 4.250 2.194 11.809 1.00 0.37 C ATOM 1769 O ALA A 111 4.759 2.644 12.837 1.00 0.44 O ATOM 1770 CB ALA A 111 1.768 2.408 11.624 1.00 0.42 C ATOM 0 H ALA A 111 2.490 2.151 9.265 1.00 0.29 H new ATOM 0 HA ALA A 111 3.189 3.981 11.351 1.00 0.36 H new ATOM 0 HB1 ALA A 111 1.719 2.528 12.706 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.962 2.976 11.159 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.662 1.353 11.371 1.00 0.42 H new ATOM 1776 N ASP A 112 4.638 1.064 11.242 1.00 0.35 N ATOM 1777 CA ASP A 112 5.757 0.288 11.747 1.00 0.46 C ATOM 1778 C ASP A 112 6.337 -0.566 10.629 1.00 0.37 C ATOM 1779 O ASP A 112 5.616 -1.296 9.952 1.00 0.35 O ATOM 1780 CB ASP A 112 5.343 -0.579 12.947 1.00 0.67 C ATOM 1781 CG ASP A 112 4.237 -1.570 12.631 1.00 1.36 C ATOM 1782 OD1 ASP A 112 3.099 -1.132 12.361 1.00 2.20 O ATOM 1783 OD2 ASP A 112 4.499 -2.789 12.692 1.00 1.88 O ATOM 0 H ASP A 112 4.187 0.660 10.421 1.00 0.35 H new ATOM 0 HA ASP A 112 6.525 0.977 12.099 1.00 0.46 H new ATOM 0 HB2 ASP A 112 6.215 -1.124 13.308 1.00 0.67 H new ATOM 0 HB3 ASP A 112 5.015 0.071 13.758 1.00 0.67 H new ATOM 1788 N THR A 113 7.628 -0.406 10.401 1.00 0.37 N ATOM 1789 CA THR A 113 8.324 -1.104 9.332 1.00 0.36 C ATOM 1790 C THR A 113 9.666 -1.645 9.854 1.00 0.44 C ATOM 1791 O THR A 113 10.448 -0.905 10.453 1.00 0.55 O ATOM 1792 CB THR A 113 8.540 -0.146 8.131 1.00 0.37 C ATOM 1793 OG1 THR A 113 9.187 -0.823 7.048 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.371 1.061 8.554 1.00 0.51 C ATOM 0 H THR A 113 8.225 0.211 10.951 1.00 0.37 H new ATOM 0 HA THR A 113 7.722 -1.947 8.993 1.00 0.36 H new ATOM 0 HB THR A 113 7.561 0.195 7.794 1.00 0.37 H new ATOM 0 HG1 THR A 113 9.084 -1.791 7.159 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.513 1.723 7.699 1.00 0.51 H new ATOM 0 HG22 THR A 113 8.853 1.599 9.348 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.342 0.725 8.918 1.00 0.51 H new ATOM 1802 N ASP A 114 9.927 -2.933 9.658 1.00 0.43 N ATOM 1803 CA ASP A 114 11.173 -3.528 10.147 1.00 0.57 C ATOM 1804 C ASP A 114 11.806 -4.448 9.112 1.00 0.64 C ATOM 1805 O ASP A 114 11.183 -4.815 8.119 1.00 0.61 O ATOM 1806 CB ASP A 114 10.947 -4.294 11.451 1.00 0.60 C ATOM 1807 CG ASP A 114 11.109 -3.422 12.682 1.00 1.24 C ATOM 1808 OD1 ASP A 114 12.260 -3.042 12.997 1.00 1.17 O ATOM 1809 OD2 ASP A 114 10.099 -3.129 13.353 1.00 2.10 O ATOM 0 H ASP A 114 9.305 -3.580 9.172 1.00 0.43 H new ATOM 0 HA ASP A 114 11.860 -2.704 10.337 1.00 0.57 H new ATOM 0 HB2 ASP A 114 9.945 -4.724 11.445 1.00 0.60 H new ATOM 0 HB3 ASP A 114 11.650 -5.125 11.505 1.00 0.60 H new ATOM 1814 N TYR A 115 13.058 -4.814 9.376 1.00 0.84 N ATOM 1815 CA TYR A 115 13.890 -5.560 8.433 1.00 0.99 C ATOM 1816 C TYR A 115 13.473 -7.027 8.299 1.00 0.90 C ATOM 1817 O TYR A 115 13.678 -7.635 7.249 1.00 1.07 O ATOM 1818 CB TYR A 115 15.365 -5.455 8.849 1.00 1.25 C ATOM 1819 CG TYR A 115 15.622 -5.763 10.312 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.428 -4.797 11.295 1.00 1.77 C ATOM 1821 CD2 TYR A 115 16.062 -7.015 10.711 1.00 1.67 C ATOM 1822 CE1 TYR A 115 15.662 -5.076 12.626 1.00 2.16 C ATOM 1823 CE2 TYR A 115 16.297 -7.302 12.042 1.00 2.05 C ATOM 1824 CZ TYR A 115 16.098 -6.330 12.996 1.00 2.26 C ATOM 1825 OH TYR A 115 16.332 -6.612 14.322 1.00 2.75 O ATOM 0 H TYR A 115 13.528 -4.600 10.256 1.00 0.84 H new ATOM 0 HA TYR A 115 13.749 -5.110 7.450 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.953 -6.139 8.237 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.721 -4.448 8.633 1.00 1.25 H new ATOM 0 HD1 TYR A 115 15.088 -3.812 11.011 1.00 1.77 H new ATOM 0 HD2 TYR A 115 16.224 -7.781 9.967 1.00 1.67 H new ATOM 0 HE1 TYR A 115 15.504 -4.314 13.375 1.00 2.16 H new ATOM 0 HE2 TYR A 115 16.636 -8.285 12.333 1.00 2.05 H new ATOM 0 HH TYR A 115 16.633 -7.540 14.411 1.00 2.75 H new ATOM 1835 N ASP A 116 12.923 -7.601 9.360 1.00 0.77 N ATOM 1836 CA ASP A 116 12.396 -8.968 9.299 1.00 0.74 C ATOM 1837 C ASP A 116 10.926 -8.981 9.688 1.00 0.64 C ATOM 1838 O ASP A 116 10.140 -9.785 9.187 1.00 0.66 O ATOM 1839 CB ASP A 116 13.180 -9.917 10.211 1.00 0.82 C ATOM 1840 CG ASP A 116 14.485 -10.385 9.600 1.00 1.03 C ATOM 1841 OD1 ASP A 116 14.443 -11.220 8.673 1.00 1.40 O ATOM 1842 OD2 ASP A 116 15.558 -9.929 10.049 1.00 1.46 O ATOM 0 H ASP A 116 12.828 -7.150 10.270 1.00 0.77 H new ATOM 0 HA ASP A 116 12.506 -9.318 8.273 1.00 0.74 H new ATOM 0 HB2 ASP A 116 13.388 -9.415 11.156 1.00 0.82 H new ATOM 0 HB3 ASP A 116 12.561 -10.785 10.441 1.00 0.82 H new ATOM 1847 N GLN A 117 10.581 -8.080 10.590 1.00 0.59 N ATOM 1848 CA GLN A 117 9.208 -7.880 11.026 1.00 0.50 C ATOM 1849 C GLN A 117 8.343 -7.362 9.873 1.00 0.37 C ATOM 1850 O GLN A 117 8.825 -7.129 8.761 1.00 0.39 O ATOM 1851 CB GLN A 117 9.163 -6.924 12.222 1.00 0.56 C ATOM 1852 CG GLN A 117 7.907 -7.052 13.074 1.00 1.22 C ATOM 1853 CD GLN A 117 7.796 -8.406 13.753 1.00 1.68 C ATOM 1854 OE1 GLN A 117 8.293 -8.596 14.862 1.00 2.16 O ATOM 1855 NE2 GLN A 117 7.136 -9.350 13.100 1.00 2.51 N ATOM 0 H GLN A 117 11.251 -7.460 11.045 1.00 0.59 H new ATOM 0 HA GLN A 117 8.801 -8.840 11.342 1.00 0.50 H new ATOM 0 HB2 GLN A 117 10.035 -7.104 12.850 1.00 0.56 H new ATOM 0 HB3 GLN A 117 9.239 -5.900 11.858 1.00 0.56 H new ATOM 0 HG2 GLN A 117 7.905 -6.269 13.832 1.00 1.22 H new ATOM 0 HG3 GLN A 117 7.030 -6.891 12.447 1.00 1.22 H new ATOM 0 HE21 GLN A 117 6.739 -9.152 12.182 1.00 2.51 H new ATOM 0 HE22 GLN A 117 7.025 -10.275 13.515 1.00 2.51 H new ATOM 1864 N PHE A 118 7.068 -7.176 10.146 1.00 0.30 N ATOM 1865 CA PHE A 118 6.089 -6.887 9.118 1.00 0.25 C ATOM 1866 C PHE A 118 5.857 -5.378 9.088 1.00 0.26 C ATOM 1867 O PHE A 118 6.345 -4.666 9.961 1.00 0.40 O ATOM 1868 CB PHE A 118 4.787 -7.615 9.474 1.00 0.31 C ATOM 1869 CG PHE A 118 3.956 -6.898 10.505 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.418 -6.734 11.803 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.722 -6.376 10.168 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.660 -6.066 12.743 1.00 0.41 C ATOM 1873 CE2 PHE A 118 1.961 -5.702 11.103 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.431 -5.548 12.392 1.00 0.42 C ATOM 0 H PHE A 118 6.681 -7.221 11.088 1.00 0.30 H new ATOM 0 HA PHE A 118 6.434 -7.220 8.139 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.194 -7.745 8.569 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.028 -8.612 9.843 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.382 -7.134 12.081 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.348 -6.496 9.162 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.028 -5.949 13.751 1.00 0.41 H new ATOM 0 HE2 PHE A 118 0.999 -5.296 10.826 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.837 -5.022 13.125 1.00 0.42 H new ATOM 1884 N ALA A 119 5.157 -4.881 8.085 1.00 0.23 N ATOM 1885 CA ALA A 119 4.954 -3.447 7.971 1.00 0.23 C ATOM 1886 C ALA A 119 3.491 -3.098 7.747 1.00 0.21 C ATOM 1887 O ALA A 119 2.816 -3.684 6.897 1.00 0.28 O ATOM 1888 CB ALA A 119 5.832 -2.859 6.873 1.00 0.25 C ATOM 0 H ALA A 119 4.725 -5.438 7.348 1.00 0.23 H new ATOM 0 HA ALA A 119 5.250 -3.000 8.920 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.662 -1.784 6.807 1.00 0.25 H new ATOM 0 HB2 ALA A 119 6.880 -3.047 7.106 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.583 -3.325 5.919 1.00 0.25 H new ATOM 1894 N MET A 120 3.018 -2.136 8.520 1.00 0.19 N ATOM 1895 CA MET A 120 1.634 -1.691 8.461 1.00 0.21 C ATOM 1896 C MET A 120 1.565 -0.294 7.858 1.00 0.22 C ATOM 1897 O MET A 120 1.999 0.674 8.478 1.00 0.25 O ATOM 1898 CB MET A 120 1.031 -1.692 9.868 1.00 0.27 C ATOM 1899 CG MET A 120 0.169 -2.912 10.189 1.00 0.48 C ATOM 1900 SD MET A 120 -1.550 -2.691 9.684 1.00 0.63 S ATOM 1901 CE MET A 120 -1.383 -2.596 7.906 1.00 1.47 C ATOM 0 H MET A 120 3.583 -1.639 9.209 1.00 0.19 H new ATOM 0 HA MET A 120 1.062 -2.373 7.831 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.840 -1.633 10.596 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.426 -0.794 9.991 1.00 0.27 H new ATOM 0 HG2 MET A 120 0.582 -3.788 9.688 1.00 0.48 H new ATOM 0 HG3 MET A 120 0.208 -3.109 11.260 1.00 0.48 H new ATOM 0 HE1 MET A 120 -2.360 -2.727 7.441 1.00 1.47 H new ATOM 0 HE2 MET A 120 -0.978 -1.623 7.630 1.00 1.47 H new ATOM 0 HE3 MET A 120 -0.709 -3.380 7.561 1.00 1.47 H new ATOM 1911 N VAL A 121 1.030 -0.182 6.647 1.00 0.25 N ATOM 1912 CA VAL A 121 1.065 1.090 5.933 1.00 0.26 C ATOM 1913 C VAL A 121 -0.332 1.616 5.608 1.00 0.29 C ATOM 1914 O VAL A 121 -1.175 0.878 5.100 1.00 0.39 O ATOM 1915 CB VAL A 121 1.834 0.984 4.604 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.552 2.285 4.327 1.00 0.34 C ATOM 1917 CG2 VAL A 121 2.806 -0.181 4.592 1.00 0.28 C ATOM 0 H VAL A 121 0.573 -0.944 6.145 1.00 0.25 H new ATOM 0 HA VAL A 121 1.571 1.778 6.610 1.00 0.26 H new ATOM 0 HB VAL A 121 1.109 0.794 3.813 1.00 0.28 H new ATOM 0 HG11 VAL A 121 3.096 2.207 3.385 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.825 3.095 4.261 1.00 0.34 H new ATOM 0 HG13 VAL A 121 3.254 2.493 5.135 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.324 -0.213 3.633 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.534 -0.056 5.394 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.260 -1.112 4.740 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.551 2.900 5.870 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.781 3.585 5.476 1.00 0.27 C ATOM 1929 C PHE A 122 -1.511 4.389 4.198 1.00 0.27 C ATOM 1930 O PHE A 122 -0.595 5.204 4.158 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.265 4.487 6.648 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.231 5.614 6.301 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -2.836 6.660 5.476 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.525 5.642 6.818 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -3.696 7.691 5.170 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.386 6.677 6.509 1.00 0.38 C ATOM 1937 CZ PHE A 122 -4.971 7.699 5.686 1.00 0.63 C ATOM 0 H PHE A 122 0.116 3.496 6.360 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.576 2.870 5.263 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.742 3.849 7.392 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.387 4.927 7.122 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -1.836 6.664 5.067 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -4.858 4.846 7.467 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -3.369 8.493 4.525 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.387 6.684 6.914 1.00 0.38 H new ATOM 0 HZ PHE A 122 -5.646 8.507 5.445 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.286 4.123 3.153 1.00 0.34 N ATOM 1948 CA PHE A 123 -2.171 4.849 1.886 1.00 0.34 C ATOM 1949 C PHE A 123 -3.420 5.703 1.661 1.00 0.35 C ATOM 1950 O PHE A 123 -4.541 5.208 1.786 1.00 0.38 O ATOM 1951 CB PHE A 123 -2.013 3.870 0.715 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.657 3.215 0.593 1.00 0.37 C ATOM 1953 CD1 PHE A 123 -0.157 2.390 1.591 1.00 0.32 C ATOM 1954 CD2 PHE A 123 0.103 3.402 -0.552 1.00 0.45 C ATOM 1955 CE1 PHE A 123 1.071 1.771 1.445 1.00 0.33 C ATOM 1956 CE2 PHE A 123 1.334 2.790 -0.697 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.817 1.972 0.302 1.00 0.41 C ATOM 0 H PHE A 123 -3.009 3.403 3.156 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.290 5.489 1.936 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -2.767 3.089 0.813 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -2.225 4.403 -0.212 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.733 2.230 2.491 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.273 4.035 -1.342 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.447 1.129 2.228 1.00 0.33 H new ATOM 0 HE2 PHE A 123 1.917 2.952 -1.592 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.777 1.490 0.190 1.00 0.41 H new ATOM 1967 N GLN A 124 -3.228 6.972 1.332 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.347 7.895 1.136 1.00 0.39 C ATOM 1969 C GLN A 124 -4.407 8.355 -0.325 1.00 0.34 C ATOM 1970 O GLN A 124 -3.398 8.781 -0.893 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.187 9.094 2.087 1.00 0.45 C ATOM 1972 CG GLN A 124 -5.488 9.791 2.482 1.00 0.67 C ATOM 1973 CD GLN A 124 -5.911 10.881 1.516 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -5.507 12.038 1.648 1.00 1.54 O ATOM 1975 NE2 GLN A 124 -6.764 10.537 0.569 1.00 1.57 N ATOM 0 H GLN A 124 -2.308 7.391 1.194 1.00 0.36 H new ATOM 0 HA GLN A 124 -5.285 7.388 1.363 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -3.686 8.754 2.994 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.530 9.826 1.616 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -6.283 9.048 2.549 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -5.372 10.223 3.476 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -7.076 9.569 0.491 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -7.111 11.239 -0.084 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.591 8.252 -0.931 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.783 8.634 -2.325 1.00 0.38 C ATOM 1986 C LYS A 125 -7.030 9.505 -2.457 1.00 0.35 C ATOM 1987 O LYS A 125 -8.147 9.040 -2.264 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.919 7.362 -3.180 1.00 0.53 C ATOM 1989 CG LYS A 125 -6.361 7.579 -4.627 1.00 0.98 C ATOM 1990 CD LYS A 125 -5.387 8.448 -5.409 1.00 1.06 C ATOM 1991 CE LYS A 125 -5.493 8.210 -6.914 1.00 1.36 C ATOM 1992 NZ LYS A 125 -6.889 8.337 -7.418 1.00 1.55 N ATOM 0 H LYS A 125 -6.434 7.905 -0.473 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.925 9.209 -2.673 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -4.959 6.847 -3.186 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -6.635 6.697 -2.697 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -6.460 6.613 -5.122 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -7.347 8.044 -4.637 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -5.583 9.498 -5.193 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -4.369 8.240 -5.079 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -4.856 8.924 -7.437 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -5.115 7.215 -7.148 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -6.881 8.369 -8.457 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -7.448 7.519 -7.101 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -7.314 9.211 -7.048 1.00 1.55 H new ATOM 2006 N THR A 126 -6.839 10.762 -2.793 1.00 0.31 N ATOM 2007 CA THR A 126 -7.954 11.677 -2.958 1.00 0.31 C ATOM 2008 C THR A 126 -8.060 12.086 -4.416 1.00 0.34 C ATOM 2009 O THR A 126 -7.061 12.481 -5.014 1.00 0.39 O ATOM 2010 CB THR A 126 -7.749 12.937 -2.103 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.664 12.716 -1.195 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.993 13.276 -1.304 1.00 0.47 C ATOM 0 H THR A 126 -5.922 11.177 -2.958 1.00 0.31 H new ATOM 0 HA THR A 126 -8.867 11.173 -2.639 1.00 0.31 H new ATOM 0 HB THR A 126 -7.532 13.769 -2.773 1.00 0.35 H new ATOM 0 HG1 THR A 126 -6.083 13.505 -1.181 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.812 14.173 -0.711 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.826 13.453 -1.985 1.00 0.47 H new ATOM 0 HG23 THR A 126 -9.237 12.446 -0.641 1.00 0.47 H new ATOM 2020 N SER A 127 -9.242 11.975 -5.003 1.00 0.37 N ATOM 2021 CA SER A 127 -9.428 12.361 -6.395 1.00 0.45 C ATOM 2022 C SER A 127 -10.890 12.695 -6.669 1.00 0.51 C ATOM 2023 O SER A 127 -11.777 11.959 -6.249 1.00 0.52 O ATOM 2024 CB SER A 127 -8.973 11.225 -7.314 1.00 0.54 C ATOM 2025 OG SER A 127 -7.611 10.905 -7.088 1.00 0.87 O ATOM 0 H SER A 127 -10.081 11.624 -4.542 1.00 0.37 H new ATOM 0 HA SER A 127 -8.827 13.248 -6.593 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.591 10.344 -7.142 1.00 0.54 H new ATOM 0 HB3 SER A 127 -9.114 11.516 -8.355 1.00 0.54 H new ATOM 0 HG SER A 127 -7.246 11.496 -6.397 1.00 0.87 H new ATOM 2031 N GLU A 128 -11.131 13.821 -7.347 1.00 0.63 N ATOM 2032 CA GLU A 128 -12.488 14.220 -7.737 1.00 0.74 C ATOM 2033 C GLU A 128 -13.355 14.441 -6.491 1.00 0.66 C ATOM 2034 O GLU A 128 -14.557 14.179 -6.488 1.00 0.71 O ATOM 2035 CB GLU A 128 -13.101 13.145 -8.652 1.00 0.89 C ATOM 2036 CG GLU A 128 -14.442 13.515 -9.271 1.00 1.26 C ATOM 2037 CD GLU A 128 -14.356 14.712 -10.190 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.899 14.554 -11.342 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -14.731 15.820 -9.762 1.00 2.13 O ATOM 0 H GLU A 128 -10.403 14.474 -7.638 1.00 0.63 H new ATOM 0 HA GLU A 128 -12.444 15.160 -8.287 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -12.396 12.927 -9.454 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -13.224 12.227 -8.077 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.826 12.662 -9.830 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -15.158 13.724 -8.476 1.00 1.26 H new ATOM 2046 N ASN A 129 -12.710 14.911 -5.421 1.00 0.64 N ATOM 2047 CA ASN A 129 -13.362 15.122 -4.122 1.00 0.70 C ATOM 2048 C ASN A 129 -13.779 13.795 -3.494 1.00 0.59 C ATOM 2049 O ASN A 129 -14.333 13.760 -2.398 1.00 0.71 O ATOM 2050 CB ASN A 129 -14.569 16.067 -4.234 1.00 0.91 C ATOM 2051 CG ASN A 129 -14.173 17.533 -4.326 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -14.915 18.412 -3.890 1.00 1.64 O ATOM 2053 ND2 ASN A 129 -13.009 17.812 -4.893 1.00 2.21 N ATOM 0 H ASN A 129 -11.720 15.157 -5.428 1.00 0.64 H new ATOM 0 HA ASN A 129 -12.629 15.597 -3.471 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -15.152 15.799 -5.115 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -15.215 15.925 -3.368 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -12.703 18.781 -4.979 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -12.419 17.058 -5.244 1.00 2.21 H new ATOM 2060 N LYS A 130 -13.498 12.705 -4.189 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.754 11.388 -3.670 1.00 0.49 C ATOM 2062 C LYS A 130 -12.537 10.930 -2.893 1.00 0.42 C ATOM 2063 O LYS A 130 -11.489 10.620 -3.460 1.00 0.45 O ATOM 2064 CB LYS A 130 -14.092 10.419 -4.801 1.00 0.64 C ATOM 2065 CG LYS A 130 -15.330 10.821 -5.587 1.00 1.02 C ATOM 2066 CD LYS A 130 -16.555 10.890 -4.689 1.00 1.36 C ATOM 2067 CE LYS A 130 -17.373 9.606 -4.730 1.00 2.08 C ATOM 2068 NZ LYS A 130 -16.571 8.392 -4.410 1.00 2.80 N ATOM 0 H LYS A 130 -13.088 12.716 -5.123 1.00 0.45 H new ATOM 0 HA LYS A 130 -14.616 11.412 -3.003 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -13.243 10.355 -5.481 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -14.242 9.423 -4.384 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -15.166 11.790 -6.057 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -15.504 10.103 -6.389 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -16.241 11.086 -3.664 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -17.181 11.728 -4.996 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -18.199 9.686 -4.023 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -17.812 9.493 -5.721 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -17.202 7.568 -4.337 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -15.873 8.228 -5.164 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -16.077 8.531 -3.505 1.00 2.80 H new ATOM 2082 N GLN A 131 -12.678 10.948 -1.588 1.00 0.43 N ATOM 2083 CA GLN A 131 -11.590 10.628 -0.687 1.00 0.44 C ATOM 2084 C GLN A 131 -11.499 9.122 -0.463 1.00 0.48 C ATOM 2085 O GLN A 131 -12.442 8.499 0.023 1.00 0.59 O ATOM 2086 CB GLN A 131 -11.820 11.362 0.631 1.00 0.55 C ATOM 2087 CG GLN A 131 -11.517 12.850 0.539 1.00 0.56 C ATOM 2088 CD GLN A 131 -12.112 13.650 1.682 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -12.319 13.136 2.780 1.00 1.11 O ATOM 2090 NE2 GLN A 131 -12.372 14.922 1.436 1.00 1.57 N ATOM 0 H GLN A 131 -13.552 11.185 -1.118 1.00 0.43 H new ATOM 0 HA GLN A 131 -10.644 10.949 -1.123 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -12.856 11.226 0.941 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -11.194 10.916 1.404 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -10.437 12.995 0.526 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -11.902 13.235 -0.405 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -12.186 15.311 0.512 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -12.759 15.515 2.171 1.00 1.57 H new ATOM 2099 N TYR A 132 -10.376 8.533 -0.838 1.00 0.45 N ATOM 2100 CA TYR A 132 -10.171 7.110 -0.660 1.00 0.50 C ATOM 2101 C TYR A 132 -8.919 6.878 0.158 1.00 0.44 C ATOM 2102 O TYR A 132 -8.006 7.705 0.170 1.00 0.51 O ATOM 2103 CB TYR A 132 -10.040 6.389 -2.007 1.00 0.57 C ATOM 2104 CG TYR A 132 -11.210 6.599 -2.942 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -12.394 5.890 -2.773 1.00 0.87 C ATOM 2106 CD2 TYR A 132 -11.131 7.504 -3.992 1.00 0.68 C ATOM 2107 CE1 TYR A 132 -13.464 6.080 -3.625 1.00 1.01 C ATOM 2108 CE2 TYR A 132 -12.197 7.698 -4.848 1.00 0.81 C ATOM 2109 CZ TYR A 132 -13.360 6.982 -4.659 1.00 0.96 C ATOM 2110 OH TYR A 132 -14.424 7.172 -5.510 1.00 1.12 O ATOM 0 H TYR A 132 -9.591 9.022 -1.269 1.00 0.45 H new ATOM 0 HA TYR A 132 -11.040 6.706 -0.141 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -9.130 6.729 -2.501 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -9.923 5.321 -1.824 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -12.478 5.180 -1.963 1.00 0.87 H new ATOM 0 HD2 TYR A 132 -10.221 8.066 -4.142 1.00 0.68 H new ATOM 0 HE1 TYR A 132 -14.378 5.523 -3.481 1.00 1.01 H new ATOM 0 HE2 TYR A 132 -12.120 8.406 -5.660 1.00 0.81 H new ATOM 0 HH TYR A 132 -14.188 7.843 -6.184 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.890 5.775 0.861 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.715 5.379 1.598 1.00 0.30 C ATOM 2122 C PHE A 133 -7.727 3.880 1.771 1.00 0.25 C ATOM 2123 O PHE A 133 -8.773 3.234 1.627 1.00 0.30 O ATOM 2124 CB PHE A 133 -7.651 6.071 2.964 1.00 0.45 C ATOM 2125 CG PHE A 133 -8.723 5.631 3.915 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -10.055 5.877 3.641 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -8.393 4.964 5.078 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -11.041 5.465 4.517 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -9.369 4.547 5.958 1.00 1.82 C ATOM 2130 CZ PHE A 133 -10.714 4.836 5.674 1.00 1.95 C ATOM 0 H PHE A 133 -9.675 5.128 0.939 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.831 5.682 1.037 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -6.677 5.877 3.414 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.727 7.149 2.819 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.328 6.396 2.734 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -7.355 4.766 5.302 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -12.079 5.645 4.279 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -9.103 4.005 6.854 1.00 1.82 H new ATOM 0 HZ PHE A 133 -11.487 4.558 6.375 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.572 3.333 2.050 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.450 1.921 2.314 1.00 0.24 C ATOM 2142 C LYS A 134 -5.263 1.644 3.211 1.00 0.17 C ATOM 2143 O LYS A 134 -4.269 2.364 3.191 1.00 0.20 O ATOM 2144 CB LYS A 134 -6.348 1.123 1.003 1.00 0.38 C ATOM 2145 CG LYS A 134 -5.110 0.240 0.873 1.00 0.53 C ATOM 2146 CD LYS A 134 -3.994 0.908 0.082 1.00 0.76 C ATOM 2147 CE LYS A 134 -2.878 -0.084 -0.213 1.00 0.61 C ATOM 2148 NZ LYS A 134 -1.739 0.535 -0.943 1.00 1.30 N ATOM 0 H LYS A 134 -5.694 3.849 2.101 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.350 1.595 2.834 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -7.234 0.495 0.909 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -6.364 1.823 0.168 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.743 -0.014 1.868 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -5.385 -0.696 0.386 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.391 1.305 -0.852 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -3.597 1.753 0.645 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.517 -0.508 0.724 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -3.277 -0.909 -0.803 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -0.972 -0.160 -1.044 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -2.056 0.841 -1.885 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -1.392 1.358 -0.411 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.376 0.597 3.990 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.273 0.133 4.793 1.00 0.17 C ATOM 2164 C VAL A 135 -3.781 -1.182 4.197 1.00 0.20 C ATOM 2165 O VAL A 135 -4.578 -2.053 3.842 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.661 -0.023 6.289 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.386 -1.331 6.573 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.439 0.123 7.176 1.00 0.78 C ATOM 0 H VAL A 135 -6.229 0.046 4.085 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.473 0.873 4.776 1.00 0.17 H new ATOM 0 HB VAL A 135 -5.362 0.779 6.521 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.633 -1.387 7.633 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -6.302 -1.375 5.984 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.743 -2.169 6.306 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.732 0.011 8.220 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.709 -0.645 6.919 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.997 1.108 7.027 1.00 0.78 H new ATOM 2178 N THR A 136 -2.486 -1.301 4.009 1.00 0.20 N ATOM 2179 CA THR A 136 -1.938 -2.475 3.363 1.00 0.22 C ATOM 2180 C THR A 136 -0.954 -3.185 4.282 1.00 0.24 C ATOM 2181 O THR A 136 -0.175 -2.546 4.994 1.00 0.47 O ATOM 2182 CB THR A 136 -1.260 -2.121 2.020 1.00 0.43 C ATOM 2183 OG1 THR A 136 -0.738 -3.299 1.392 1.00 1.41 O ATOM 2184 CG2 THR A 136 -0.148 -1.101 2.209 1.00 0.65 C ATOM 0 H THR A 136 -1.796 -0.605 4.291 1.00 0.20 H new ATOM 0 HA THR A 136 -2.768 -3.149 3.150 1.00 0.22 H new ATOM 0 HB THR A 136 -2.021 -1.680 1.376 1.00 0.43 H new ATOM 0 HG1 THR A 136 0.155 -3.111 1.034 1.00 1.41 H new ATOM 0 HG21 THR A 136 0.307 -0.875 1.244 1.00 0.65 H new ATOM 0 HG22 THR A 136 -0.561 -0.188 2.638 1.00 0.65 H new ATOM 0 HG23 THR A 136 0.608 -1.508 2.880 1.00 0.65 H new ATOM 2192 N LEU A 137 -1.010 -4.505 4.272 1.00 0.18 N ATOM 2193 CA LEU A 137 -0.154 -5.311 5.114 1.00 0.21 C ATOM 2194 C LEU A 137 0.994 -5.870 4.286 1.00 0.17 C ATOM 2195 O LEU A 137 0.779 -6.703 3.398 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.978 -6.444 5.743 1.00 0.33 C ATOM 2197 CG LEU A 137 -0.397 -7.091 7.011 1.00 0.34 C ATOM 2198 CD1 LEU A 137 0.838 -7.914 6.692 1.00 0.97 C ATOM 2199 CD2 LEU A 137 -0.076 -6.027 8.050 1.00 0.68 C ATOM 0 H LEU A 137 -1.646 -5.042 3.683 1.00 0.18 H new ATOM 0 HA LEU A 137 0.264 -4.700 5.914 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.968 -6.055 5.981 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -1.114 -7.224 4.994 1.00 0.33 H new ATOM 0 HG LEU A 137 -1.150 -7.764 7.421 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.226 -8.359 7.609 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.577 -8.704 5.988 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.599 -7.271 6.250 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.334 -6.501 8.942 1.00 0.68 H new ATOM 0 HD22 LEU A 137 0.654 -5.328 7.642 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.986 -5.488 8.312 1.00 0.68 H new ATOM 2211 N TYR A 138 2.198 -5.394 4.561 1.00 0.18 N ATOM 2212 CA TYR A 138 3.381 -5.883 3.874 1.00 0.26 C ATOM 2213 C TYR A 138 4.216 -6.750 4.801 1.00 0.20 C ATOM 2214 O TYR A 138 4.296 -6.499 6.004 1.00 0.25 O ATOM 2215 CB TYR A 138 4.247 -4.734 3.356 1.00 0.44 C ATOM 2216 CG TYR A 138 3.639 -3.949 2.217 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.144 -4.585 1.087 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.574 -2.566 2.271 1.00 0.54 C ATOM 2219 CE1 TYR A 138 2.599 -3.863 0.044 1.00 2.04 C ATOM 2220 CE2 TYR A 138 3.034 -1.835 1.232 1.00 1.18 C ATOM 2221 CZ TYR A 138 2.548 -2.488 0.120 1.00 1.94 C ATOM 2222 OH TYR A 138 2.002 -1.762 -0.919 1.00 2.64 O ATOM 0 H TYR A 138 2.381 -4.670 5.255 1.00 0.18 H new ATOM 0 HA TYR A 138 3.037 -6.473 3.025 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.452 -4.052 4.181 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.206 -5.138 3.030 1.00 0.44 H new ATOM 0 HD1 TYR A 138 3.186 -5.662 1.023 1.00 1.36 H new ATOM 0 HD2 TYR A 138 3.953 -2.051 3.141 1.00 0.54 H new ATOM 0 HE1 TYR A 138 2.215 -4.373 -0.827 1.00 2.04 H new ATOM 0 HE2 TYR A 138 2.993 -0.757 1.290 1.00 1.18 H new ATOM 0 HH TYR A 138 2.042 -0.806 -0.707 1.00 2.64 H new ATOM 2232 N GLY A 139 4.829 -7.768 4.233 1.00 0.28 N ATOM 2233 CA GLY A 139 5.722 -8.614 4.983 1.00 0.29 C ATOM 2234 C GLY A 139 7.008 -8.837 4.231 1.00 0.33 C ATOM 2235 O GLY A 139 6.987 -9.040 3.016 1.00 0.45 O ATOM 0 H GLY A 139 4.722 -8.027 3.252 1.00 0.28 H new ATOM 0 HA2 GLY A 139 5.936 -8.158 5.950 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.241 -9.572 5.182 1.00 0.29 H new ATOM 2239 N ARG A 140 8.122 -8.814 4.944 1.00 0.37 N ATOM 2240 CA ARG A 140 9.437 -8.853 4.313 1.00 0.49 C ATOM 2241 C ARG A 140 9.664 -10.163 3.547 1.00 0.38 C ATOM 2242 O ARG A 140 10.421 -10.199 2.579 1.00 0.51 O ATOM 2243 CB ARG A 140 10.521 -8.648 5.382 1.00 0.78 C ATOM 2244 CG ARG A 140 11.841 -8.121 4.836 1.00 1.61 C ATOM 2245 CD ARG A 140 12.727 -9.231 4.295 1.00 1.91 C ATOM 2246 NE ARG A 140 13.332 -10.037 5.358 1.00 2.46 N ATOM 2247 CZ ARG A 140 14.077 -11.122 5.130 1.00 3.13 C ATOM 2248 NH1 ARG A 140 14.300 -11.524 3.885 1.00 3.38 N ATOM 2249 NH2 ARG A 140 14.615 -11.794 6.141 1.00 3.99 N ATOM 0 H ARG A 140 8.145 -8.768 5.963 1.00 0.37 H new ATOM 0 HA ARG A 140 9.492 -8.047 3.582 1.00 0.49 H new ATOM 0 HB2 ARG A 140 10.148 -7.953 6.134 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.702 -9.597 5.887 1.00 0.78 H new ATOM 0 HG2 ARG A 140 11.641 -7.400 4.043 1.00 1.61 H new ATOM 0 HG3 ARG A 140 12.371 -7.588 5.625 1.00 1.61 H new ATOM 0 HD2 ARG A 140 12.137 -9.877 3.645 1.00 1.91 H new ATOM 0 HD3 ARG A 140 13.515 -8.795 3.681 1.00 1.91 H new ATOM 0 HE ARG A 140 13.176 -9.754 6.325 1.00 2.46 H new ATOM 0 HH11 ARG A 140 13.903 -11.004 3.102 1.00 3.38 H new ATOM 0 HH12 ARG A 140 14.869 -12.352 3.711 1.00 3.38 H new ATOM 0 HH21 ARG A 140 14.461 -11.483 7.100 1.00 3.99 H new ATOM 0 HH22 ARG A 140 15.183 -12.622 5.959 1.00 3.99 H new ATOM 2263 N THR A 141 9.000 -11.233 3.965 1.00 0.40 N ATOM 2264 CA THR A 141 9.208 -12.533 3.339 1.00 0.58 C ATOM 2265 C THR A 141 7.928 -13.384 3.390 1.00 0.64 C ATOM 2266 O THR A 141 7.975 -14.611 3.324 1.00 1.14 O ATOM 2267 CB THR A 141 10.385 -13.270 4.027 1.00 0.85 C ATOM 2268 OG1 THR A 141 10.698 -14.483 3.340 1.00 1.13 O ATOM 2269 CG2 THR A 141 10.067 -13.576 5.486 1.00 0.94 C ATOM 0 H THR A 141 8.321 -11.228 4.726 1.00 0.40 H new ATOM 0 HA THR A 141 9.457 -12.374 2.290 1.00 0.58 H new ATOM 0 HB THR A 141 11.250 -12.607 3.990 1.00 0.85 H new ATOM 0 HG1 THR A 141 9.873 -14.985 3.170 1.00 1.13 H new ATOM 0 HG21 THR A 141 10.911 -14.093 5.942 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.880 -12.645 6.021 1.00 0.94 H new ATOM 0 HG23 THR A 141 9.182 -14.209 5.540 1.00 0.94 H new ATOM 2277 N LYS A 142 6.778 -12.704 3.477 1.00 0.79 N ATOM 2278 CA LYS A 142 5.465 -13.351 3.672 1.00 0.87 C ATOM 2279 C LYS A 142 5.429 -14.349 4.829 1.00 0.84 C ATOM 2280 O LYS A 142 4.461 -15.092 4.989 1.00 1.09 O ATOM 2281 CB LYS A 142 5.024 -14.022 2.385 1.00 1.02 C ATOM 2282 CG LYS A 142 4.723 -13.025 1.294 1.00 1.17 C ATOM 2283 CD LYS A 142 4.771 -13.671 -0.066 1.00 0.84 C ATOM 2284 CE LYS A 142 4.497 -12.653 -1.152 1.00 0.85 C ATOM 2285 NZ LYS A 142 3.199 -11.963 -0.948 1.00 1.57 N ATOM 0 H LYS A 142 6.727 -11.687 3.415 1.00 0.79 H new ATOM 0 HA LYS A 142 4.770 -12.556 3.942 1.00 0.87 H new ATOM 0 HB2 LYS A 142 5.805 -14.703 2.047 1.00 1.02 H new ATOM 0 HB3 LYS A 142 4.137 -14.625 2.578 1.00 1.02 H new ATOM 0 HG2 LYS A 142 3.737 -12.590 1.458 1.00 1.17 H new ATOM 0 HG3 LYS A 142 5.443 -12.208 1.336 1.00 1.17 H new ATOM 0 HD2 LYS A 142 5.749 -14.124 -0.224 1.00 0.84 H new ATOM 0 HD3 LYS A 142 4.035 -14.474 -0.119 1.00 0.84 H new ATOM 0 HE2 LYS A 142 5.301 -11.917 -1.171 1.00 0.85 H new ATOM 0 HE3 LYS A 142 4.496 -13.149 -2.123 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 3.056 -11.262 -1.703 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 2.428 -12.660 -0.972 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 3.202 -11.483 -0.026 1.00 1.57 H new ATOM 2299 N GLY A 143 6.467 -14.347 5.635 1.00 0.67 N ATOM 2300 CA GLY A 143 6.497 -15.181 6.816 1.00 0.70 C ATOM 2301 C GLY A 143 5.963 -14.431 8.008 1.00 0.62 C ATOM 2302 O GLY A 143 6.688 -14.165 8.964 1.00 0.74 O ATOM 0 H GLY A 143 7.301 -13.777 5.495 1.00 0.67 H new ATOM 0 HA2 GLY A 143 5.903 -16.079 6.649 1.00 0.70 H new ATOM 0 HA3 GLY A 143 7.519 -15.507 7.012 1.00 0.70 H new ATOM 2306 N LEU A 144 4.696 -14.070 7.930 1.00 0.52 N ATOM 2307 CA LEU A 144 4.073 -13.225 8.930 1.00 0.46 C ATOM 2308 C LEU A 144 3.008 -13.995 9.689 1.00 0.48 C ATOM 2309 O LEU A 144 2.295 -14.821 9.115 1.00 0.53 O ATOM 2310 CB LEU A 144 3.452 -12.001 8.257 1.00 0.43 C ATOM 2311 CG LEU A 144 4.417 -11.148 7.434 1.00 0.40 C ATOM 2312 CD1 LEU A 144 3.760 -9.833 7.072 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.712 -10.899 8.196 1.00 0.56 C ATOM 0 H LEU A 144 4.072 -14.353 7.174 1.00 0.52 H new ATOM 0 HA LEU A 144 4.835 -12.900 9.638 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.644 -12.335 7.607 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.003 -11.373 9.026 1.00 0.43 H new ATOM 0 HG LEU A 144 4.663 -11.690 6.520 1.00 0.40 H new ATOM 0 HD11 LEU A 144 4.453 -9.229 6.486 1.00 0.56 H new ATOM 0 HD12 LEU A 144 2.861 -10.025 6.487 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.493 -9.297 7.983 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.381 -10.290 7.588 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.492 -10.377 9.127 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.192 -11.852 8.419 1.00 0.56 H new ATOM 2325 N SER A 145 2.909 -13.727 10.979 1.00 0.51 N ATOM 2326 CA SER A 145 1.901 -14.350 11.815 1.00 0.56 C ATOM 2327 C SER A 145 0.525 -13.760 11.516 1.00 0.50 C ATOM 2328 O SER A 145 0.405 -12.608 11.099 1.00 0.49 O ATOM 2329 CB SER A 145 2.257 -14.137 13.284 1.00 0.65 C ATOM 2330 OG SER A 145 3.550 -14.639 13.572 1.00 1.43 O ATOM 0 H SER A 145 3.520 -13.077 11.473 1.00 0.51 H new ATOM 0 HA SER A 145 1.871 -15.419 11.602 1.00 0.56 H new ATOM 0 HB2 SER A 145 2.215 -13.074 13.521 1.00 0.65 H new ATOM 0 HB3 SER A 145 1.521 -14.634 13.916 1.00 0.65 H new ATOM 0 HG SER A 145 3.756 -14.489 14.518 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.511 -14.557 11.737 1.00 0.53 N ATOM 2337 CA ASP A 146 -1.886 -14.125 11.501 1.00 0.51 C ATOM 2338 C ASP A 146 -2.256 -12.980 12.434 1.00 0.48 C ATOM 2339 O ASP A 146 -3.145 -12.183 12.132 1.00 0.46 O ATOM 2340 CB ASP A 146 -2.861 -15.295 11.670 1.00 0.62 C ATOM 2341 CG ASP A 146 -2.763 -16.294 10.533 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -3.447 -16.104 9.502 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -2.014 -17.284 10.670 1.00 2.08 O ATOM 0 H ASP A 146 -0.426 -15.513 12.082 1.00 0.53 H new ATOM 0 HA ASP A 146 -1.958 -13.768 10.474 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.658 -15.801 12.614 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -3.880 -14.911 11.727 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.551 -12.903 13.560 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.721 -11.822 14.528 1.00 0.53 C ATOM 2350 C GLU A 147 -1.537 -10.458 13.864 1.00 0.45 C ATOM 2351 O GLU A 147 -2.379 -9.572 14.000 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.703 -11.995 15.663 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.636 -10.831 16.644 1.00 0.72 C ATOM 2354 CD GLU A 147 -1.887 -10.682 17.482 1.00 1.25 C ATOM 2355 OE1 GLU A 147 -2.021 -11.407 18.490 1.00 1.48 O ATOM 2356 OE2 GLU A 147 -2.736 -9.832 17.146 1.00 1.99 O ATOM 0 H GLU A 147 -0.845 -13.589 13.827 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.733 -11.867 14.930 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.946 -12.903 16.215 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.285 -12.142 15.227 1.00 0.62 H new ATOM 0 HG2 GLU A 147 0.221 -10.970 17.304 1.00 0.72 H new ATOM 0 HG3 GLU A 147 -0.466 -9.908 16.090 1.00 0.72 H new ATOM 2363 N LEU A 148 -0.451 -10.305 13.114 1.00 0.41 N ATOM 2364 CA LEU A 148 -0.136 -9.024 12.497 1.00 0.37 C ATOM 2365 C LEU A 148 -1.124 -8.698 11.376 1.00 0.31 C ATOM 2366 O LEU A 148 -1.379 -7.533 11.083 1.00 0.29 O ATOM 2367 CB LEU A 148 1.330 -8.975 12.014 1.00 0.37 C ATOM 2368 CG LEU A 148 1.775 -10.048 11.011 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.305 -9.724 9.606 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.286 -10.185 11.021 1.00 0.38 C ATOM 0 H LEU A 148 0.221 -11.047 12.920 1.00 0.41 H new ATOM 0 HA LEU A 148 -0.242 -8.249 13.256 1.00 0.37 H new ATOM 0 HB2 LEU A 148 1.504 -7.998 11.563 1.00 0.37 H new ATOM 0 HB3 LEU A 148 1.976 -9.042 12.889 1.00 0.37 H new ATOM 0 HG LEU A 148 1.321 -10.991 11.316 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.638 -10.505 8.922 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.217 -9.668 9.590 1.00 0.33 H new ATOM 0 HD13 LEU A 148 1.722 -8.767 9.294 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.587 -10.950 10.305 1.00 0.38 H new ATOM 0 HD22 LEU A 148 3.740 -9.232 10.747 1.00 0.38 H new ATOM 0 HD23 LEU A 148 3.619 -10.471 12.019 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.681 -9.730 10.754 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.641 -9.528 9.677 1.00 0.29 C ATOM 2384 C LYS A 149 -4.003 -9.115 10.234 1.00 0.29 C ATOM 2385 O LYS A 149 -4.617 -8.176 9.743 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.775 -10.790 8.820 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.505 -11.137 8.063 1.00 0.78 C ATOM 2388 CD LYS A 149 -1.691 -12.344 7.159 1.00 0.80 C ATOM 2389 CE LYS A 149 -1.954 -13.617 7.944 1.00 0.83 C ATOM 2390 NZ LYS A 149 -1.960 -14.816 7.063 1.00 1.22 N ATOM 0 H LYS A 149 -1.487 -10.707 10.974 1.00 0.31 H new ATOM 0 HA LYS A 149 -2.269 -8.722 9.044 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -3.049 -11.629 9.460 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.589 -10.653 8.108 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -1.195 -10.281 7.464 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.703 -11.337 8.774 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -2.523 -12.161 6.479 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -0.800 -12.476 6.545 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -1.191 -13.734 8.713 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -2.913 -13.537 8.456 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -2.446 -15.599 7.545 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -2.457 -14.593 6.177 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -0.981 -15.095 6.850 1.00 1.22 H new ATOM 2404 N GLU A 150 -4.478 -9.805 11.263 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.706 -9.393 11.942 1.00 0.35 C ATOM 2406 C GLU A 150 -5.516 -7.986 12.502 1.00 0.34 C ATOM 2407 O GLU A 150 -6.440 -7.173 12.519 1.00 0.35 O ATOM 2408 CB GLU A 150 -6.062 -10.381 13.061 1.00 0.42 C ATOM 2409 CG GLU A 150 -7.249 -9.966 13.926 1.00 1.02 C ATOM 2410 CD GLU A 150 -8.568 -9.930 13.173 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -8.880 -10.907 12.463 1.00 1.83 O ATOM 2412 OE2 GLU A 150 -9.313 -8.932 13.318 1.00 2.00 O ATOM 0 H GLU A 150 -4.040 -10.643 11.645 1.00 0.33 H new ATOM 0 HA GLU A 150 -6.531 -9.389 11.230 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -6.277 -11.352 12.615 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -5.191 -10.511 13.703 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -7.337 -10.658 14.763 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -7.054 -8.980 14.347 1.00 1.02 H new ATOM 2419 N ARG A 151 -4.296 -7.712 12.947 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.904 -6.376 13.372 1.00 0.35 C ATOM 2421 C ARG A 151 -4.138 -5.364 12.250 1.00 0.30 C ATOM 2422 O ARG A 151 -4.598 -4.252 12.499 1.00 0.32 O ATOM 2423 CB ARG A 151 -2.431 -6.390 13.788 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.841 -5.029 14.119 1.00 1.21 C ATOM 2425 CD ARG A 151 -0.399 -5.176 14.570 1.00 1.20 C ATOM 2426 NE ARG A 151 0.293 -3.895 14.699 1.00 1.71 N ATOM 2427 CZ ARG A 151 1.462 -3.748 15.324 1.00 1.97 C ATOM 2428 NH1 ARG A 151 2.027 -4.785 15.935 1.00 1.74 N ATOM 2429 NH2 ARG A 151 2.059 -2.565 15.345 1.00 2.88 N ATOM 0 H ARG A 151 -3.554 -8.407 13.023 1.00 0.33 H new ATOM 0 HA ARG A 151 -4.514 -6.077 14.224 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -2.322 -7.037 14.658 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.847 -6.836 12.983 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.891 -4.381 13.244 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -2.428 -4.552 14.904 1.00 1.21 H new ATOM 0 HD2 ARG A 151 -0.375 -5.694 15.529 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.137 -5.802 13.856 1.00 1.20 H new ATOM 0 HE ARG A 151 -0.142 -3.069 14.289 1.00 1.71 H new ATOM 0 HH11 ARG A 151 1.566 -5.695 15.926 1.00 1.74 H new ATOM 0 HH12 ARG A 151 2.921 -4.670 16.412 1.00 1.74 H new ATOM 0 HH21 ARG A 151 1.624 -1.766 14.883 1.00 2.88 H new ATOM 0 HH22 ARG A 151 2.953 -2.453 15.823 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.852 -5.765 11.013 1.00 0.28 N ATOM 2444 CA PHE A 152 -4.042 -4.878 9.871 1.00 0.27 C ATOM 2445 C PHE A 152 -5.526 -4.654 9.612 1.00 0.23 C ATOM 2446 O PHE A 152 -5.950 -3.522 9.397 1.00 0.24 O ATOM 2447 CB PHE A 152 -3.308 -5.408 8.612 1.00 0.30 C ATOM 2448 CG PHE A 152 -4.180 -5.930 7.489 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -5.029 -5.085 6.789 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -4.143 -7.268 7.133 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.823 -5.563 5.773 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.936 -7.754 6.113 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.778 -6.900 5.433 1.00 0.21 C ATOM 0 H PHE A 152 -3.491 -6.690 10.779 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.596 -3.913 10.110 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.687 -4.604 8.216 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -2.635 -6.208 8.921 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -5.067 -4.037 7.046 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -3.484 -7.941 7.661 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.482 -4.892 5.241 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.897 -8.800 5.848 1.00 0.26 H new ATOM 0 HZ PHE A 152 -6.401 -7.277 4.636 1.00 0.21 H new ATOM 2463 N VAL A 153 -6.324 -5.720 9.639 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.752 -5.585 9.372 1.00 0.22 C ATOM 2465 C VAL A 153 -8.395 -4.749 10.484 1.00 0.25 C ATOM 2466 O VAL A 153 -9.303 -3.958 10.237 1.00 0.28 O ATOM 2467 CB VAL A 153 -8.475 -6.959 9.225 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.642 -7.937 8.414 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.825 -7.569 10.567 1.00 0.28 C ATOM 0 H VAL A 153 -6.012 -6.670 9.839 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.865 -5.081 8.412 1.00 0.22 H new ATOM 0 HB VAL A 153 -9.406 -6.762 8.693 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -8.173 -8.885 8.330 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.468 -7.529 7.418 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.686 -8.100 8.911 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -9.327 -8.524 10.413 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.914 -7.727 11.144 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -9.487 -6.895 11.111 1.00 0.28 H new ATOM 2479 N SER A 154 -7.889 -4.911 11.707 1.00 0.28 N ATOM 2480 CA SER A 154 -8.340 -4.113 12.839 1.00 0.33 C ATOM 2481 C SER A 154 -7.932 -2.654 12.645 1.00 0.32 C ATOM 2482 O SER A 154 -8.707 -1.738 12.916 1.00 0.35 O ATOM 2483 CB SER A 154 -7.750 -4.654 14.145 1.00 0.38 C ATOM 2484 OG SER A 154 -8.100 -6.016 14.343 1.00 1.05 O ATOM 0 H SER A 154 -7.164 -5.591 11.936 1.00 0.28 H new ATOM 0 HA SER A 154 -9.427 -4.174 12.897 1.00 0.33 H new ATOM 0 HB2 SER A 154 -6.665 -4.554 14.125 1.00 0.38 H new ATOM 0 HB3 SER A 154 -8.110 -4.058 14.984 1.00 0.38 H new ATOM 0 HG SER A 154 -7.658 -6.569 13.665 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.711 -2.451 12.156 1.00 0.29 N ATOM 2491 CA PHE A 155 -6.206 -1.114 11.879 1.00 0.29 C ATOM 2492 C PHE A 155 -6.997 -0.484 10.733 1.00 0.28 C ATOM 2493 O PHE A 155 -7.208 0.730 10.709 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.711 -1.168 11.537 1.00 0.29 C ATOM 2495 CG PHE A 155 -4.039 0.178 11.496 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.620 0.795 12.664 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.823 0.823 10.290 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -2.998 2.029 12.628 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -3.202 2.055 10.246 1.00 0.30 C ATOM 2500 CZ PHE A 155 -2.788 2.660 11.417 1.00 0.39 C ATOM 0 H PHE A 155 -6.053 -3.201 11.944 1.00 0.29 H new ATOM 0 HA PHE A 155 -6.331 -0.498 12.769 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -4.204 -1.793 12.272 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.589 -1.653 10.568 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -3.781 0.306 13.613 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -4.145 0.356 9.371 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -2.677 2.499 13.546 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -3.040 2.545 9.297 1.00 0.30 H new ATOM 0 HZ PHE A 155 -2.301 3.624 11.386 1.00 0.39 H new ATOM 2510 N ALA A 156 -7.458 -1.324 9.804 1.00 0.25 N ATOM 2511 CA ALA A 156 -8.303 -0.872 8.705 1.00 0.25 C ATOM 2512 C ALA A 156 -9.535 -0.179 9.262 1.00 0.28 C ATOM 2513 O ALA A 156 -9.910 0.917 8.841 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.740 -2.044 7.831 1.00 0.25 C ATOM 0 H ALA A 156 -7.257 -2.324 9.794 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.725 -0.178 8.094 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.369 -1.678 7.019 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.860 -2.536 7.415 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -9.303 -2.757 8.433 1.00 0.25 H new ATOM 2520 N LYS A 157 -10.143 -0.830 10.236 1.00 0.33 N ATOM 2521 CA LYS A 157 -11.348 -0.331 10.873 1.00 0.39 C ATOM 2522 C LYS A 157 -11.024 0.795 11.850 1.00 0.41 C ATOM 2523 O LYS A 157 -11.892 1.589 12.198 1.00 0.44 O ATOM 2524 CB LYS A 157 -12.059 -1.481 11.578 1.00 0.50 C ATOM 2525 CG LYS A 157 -12.472 -2.582 10.616 1.00 0.78 C ATOM 2526 CD LYS A 157 -12.161 -3.959 11.165 1.00 0.70 C ATOM 2527 CE LYS A 157 -12.377 -5.027 10.106 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.112 -6.393 10.623 1.00 0.75 N ATOM 0 H LYS A 157 -9.815 -1.721 10.609 1.00 0.33 H new ATOM 0 HA LYS A 157 -12.009 0.082 10.111 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -11.402 -1.897 12.342 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.942 -1.099 12.090 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -13.540 -2.505 10.413 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -11.957 -2.445 9.665 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -11.129 -3.991 11.514 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -12.796 -4.163 12.027 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -13.402 -4.972 9.741 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -11.725 -4.830 9.255 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -11.757 -6.993 9.852 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -11.401 -6.346 11.380 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -12.992 -6.798 11.000 1.00 0.75 H new ATOM 2542 N SER A 158 -9.770 0.856 12.281 1.00 0.48 N ATOM 2543 CA SER A 158 -9.325 1.887 13.211 1.00 0.58 C ATOM 2544 C SER A 158 -9.285 3.256 12.532 1.00 0.49 C ATOM 2545 O SER A 158 -9.434 4.283 13.190 1.00 0.55 O ATOM 2546 CB SER A 158 -7.950 1.531 13.785 1.00 0.81 C ATOM 2547 OG SER A 158 -7.570 2.427 14.818 1.00 1.39 O ATOM 0 H SER A 158 -9.040 0.201 12.000 1.00 0.48 H new ATOM 0 HA SER A 158 -10.042 1.938 14.031 1.00 0.58 H new ATOM 0 HB2 SER A 158 -7.969 0.513 14.174 1.00 0.81 H new ATOM 0 HB3 SER A 158 -7.205 1.554 12.989 1.00 0.81 H new ATOM 0 HG SER A 158 -6.689 2.172 15.164 1.00 1.39 H new ATOM 2553 N LEU A 159 -9.065 3.266 11.219 1.00 0.43 N ATOM 2554 CA LEU A 159 -9.157 4.502 10.449 1.00 0.46 C ATOM 2555 C LEU A 159 -10.626 4.860 10.221 1.00 0.38 C ATOM 2556 O LEU A 159 -10.984 6.033 10.114 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.440 4.381 9.093 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.923 4.651 9.073 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.589 6.004 9.695 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -6.152 3.539 9.763 1.00 0.76 C ATOM 0 H LEU A 159 -8.824 2.440 10.671 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.666 5.289 11.021 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.609 3.375 8.710 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.915 5.072 8.396 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.615 4.676 8.028 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.511 6.162 9.665 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -7.088 6.795 9.135 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.929 6.022 10.730 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -5.085 3.761 9.731 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.475 3.462 10.801 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.341 2.594 9.253 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.475 3.836 10.165 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.897 4.060 9.966 1.00 0.41 C ATOM 2574 C GLY A 160 -13.520 3.097 8.973 1.00 0.35 C ATOM 2575 O GLY A 160 -14.734 3.102 8.771 1.00 0.42 O ATOM 0 H GLY A 160 -11.204 2.857 10.254 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.410 3.968 10.923 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -13.052 5.081 9.618 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.698 2.266 8.353 1.00 0.38 N ATOM 2580 CA LEU A 161 -13.183 1.315 7.362 1.00 0.35 C ATOM 2581 C LEU A 161 -13.786 0.080 8.023 1.00 0.37 C ATOM 2582 O LEU A 161 -13.963 0.028 9.236 1.00 0.58 O ATOM 2583 CB LEU A 161 -12.047 0.915 6.424 1.00 0.32 C ATOM 2584 CG LEU A 161 -12.170 1.444 4.998 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.801 1.842 4.471 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.797 0.387 4.097 1.00 0.35 C ATOM 0 H LEU A 161 -11.692 2.230 8.517 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.971 1.799 6.785 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -11.106 1.268 6.846 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.992 -0.173 6.388 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.814 2.324 5.002 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -10.898 2.218 3.453 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -10.379 2.620 5.107 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -10.143 0.973 4.475 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -12.879 0.776 3.082 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -12.171 -0.506 4.093 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.789 0.133 4.470 1.00 0.35 H new ATOM 2598 N LYS A 162 -14.113 -0.899 7.199 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.824 -2.089 7.638 1.00 0.42 C ATOM 2600 C LYS A 162 -14.381 -3.287 6.820 1.00 0.36 C ATOM 2601 O LYS A 162 -13.966 -3.146 5.669 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.350 -1.886 7.528 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.885 -1.627 6.115 1.00 0.86 C ATOM 2604 CD LYS A 162 -16.288 -0.378 5.470 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.874 0.936 5.997 1.00 0.77 C ATOM 2606 NZ LYS A 162 -17.005 0.995 7.482 1.00 1.46 N ATOM 0 H LYS A 162 -13.893 -0.892 6.203 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.586 -2.273 8.686 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.846 -2.771 7.928 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.633 -1.047 8.164 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -16.670 -2.492 5.487 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -17.969 -1.525 6.156 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -15.211 -0.376 5.635 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -16.445 -0.428 4.392 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -16.243 1.761 5.666 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -17.857 1.088 5.550 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -17.111 1.985 7.782 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -17.841 0.452 7.779 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -16.155 0.589 7.922 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.460 -4.456 7.450 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.973 -5.720 6.887 1.00 0.41 C ATOM 2622 C ASP A 163 -14.591 -6.019 5.527 1.00 0.39 C ATOM 2623 O ASP A 163 -14.053 -6.802 4.743 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.296 -6.855 7.849 1.00 0.52 C ATOM 2625 CG ASP A 163 -13.307 -7.996 7.761 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -12.255 -7.933 8.425 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -13.576 -8.955 7.006 1.00 1.81 O ATOM 0 H ASP A 163 -14.869 -4.557 8.379 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.896 -5.629 6.748 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -14.309 -6.469 8.868 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -15.297 -7.231 7.638 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.725 -5.387 5.263 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.425 -5.532 3.985 1.00 0.43 C ATOM 2634 C ASN A 164 -15.560 -5.056 2.822 1.00 0.38 C ATOM 2635 O ASN A 164 -15.765 -5.464 1.682 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.740 -4.750 3.997 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.738 -5.305 4.991 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.753 -4.911 6.156 1.00 2.34 O ATOM 2639 ND2 ASN A 164 -19.589 -6.211 4.535 1.00 1.68 N ATOM 0 H ASN A 164 -16.188 -4.761 5.922 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.638 -6.592 3.849 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -17.536 -3.707 4.237 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -18.178 -4.768 2.999 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -20.292 -6.610 5.158 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -19.542 -6.510 3.561 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.594 -4.195 3.117 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.673 -3.701 2.102 1.00 0.31 C ATOM 2648 C ASN A 165 -12.244 -4.096 2.443 1.00 0.26 C ATOM 2649 O ASN A 165 -11.294 -3.380 2.135 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.772 -2.180 1.950 1.00 0.35 C ATOM 2651 CG ASN A 165 -15.084 -1.741 1.335 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -16.066 -1.504 2.039 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -15.106 -1.619 0.015 1.00 0.61 N ATOM 0 H ASN A 165 -14.428 -3.824 4.053 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.953 -4.157 1.152 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -13.659 -1.713 2.928 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.948 -1.826 1.330 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -15.960 -1.318 -0.455 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -14.269 -1.826 -0.530 1.00 0.61 H new ATOM 2660 N ILE A 166 -12.096 -5.236 3.098 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.779 -5.739 3.463 1.00 0.22 C ATOM 2662 C ILE A 166 -10.568 -7.132 2.880 1.00 0.24 C ATOM 2663 O ILE A 166 -11.375 -8.031 3.110 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.619 -5.789 5.004 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.974 -4.430 5.613 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -9.206 -6.202 5.397 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.907 -4.397 7.124 1.00 0.26 C ATOM 0 H ILE A 166 -12.871 -5.832 3.389 1.00 0.25 H new ATOM 0 HA ILE A 166 -10.030 -5.060 3.055 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.305 -6.540 5.396 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -10.296 -3.676 5.213 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.980 -4.154 5.298 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -9.124 -6.228 6.484 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.990 -7.191 4.993 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.492 -5.483 4.996 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -11.172 -3.401 7.478 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.605 -5.126 7.535 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.895 -4.640 7.449 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.497 -7.303 2.113 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.204 -8.585 1.486 1.00 0.26 C ATOM 2681 C VAL A 167 -7.827 -9.085 1.918 1.00 0.26 C ATOM 2682 O VAL A 167 -7.002 -8.329 2.433 1.00 0.31 O ATOM 2683 CB VAL A 167 -9.284 -8.529 -0.078 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -9.925 -7.242 -0.562 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -7.919 -8.719 -0.750 1.00 0.72 C ATOM 0 H VAL A 167 -8.818 -6.569 1.911 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.972 -9.281 1.823 1.00 0.26 H new ATOM 0 HB VAL A 167 -9.916 -9.368 -0.371 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -9.962 -7.241 -1.651 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -10.937 -7.168 -0.164 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -9.337 -6.391 -0.218 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -8.037 -8.671 -1.833 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -7.240 -7.932 -0.423 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -7.509 -9.690 -0.473 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.588 -10.358 1.696 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.300 -10.956 1.980 1.00 0.28 C ATOM 2697 C PHE A 168 -5.667 -11.342 0.657 1.00 0.30 C ATOM 2698 O PHE A 168 -6.285 -12.045 -0.145 1.00 0.42 O ATOM 2699 CB PHE A 168 -6.453 -12.172 2.901 1.00 0.33 C ATOM 2700 CG PHE A 168 -7.124 -11.850 4.209 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -6.476 -11.089 5.171 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -8.405 -12.308 4.472 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -7.096 -10.792 6.372 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -9.027 -12.016 5.670 1.00 0.45 C ATOM 2705 CZ PHE A 168 -8.373 -11.257 6.620 1.00 0.40 C ATOM 0 H PHE A 168 -8.277 -11.007 1.315 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.660 -10.246 2.503 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -7.030 -12.939 2.385 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -5.468 -12.594 3.101 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -5.477 -10.725 4.981 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.923 -12.900 3.732 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -6.583 -10.198 7.114 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -10.025 -12.381 5.864 1.00 0.45 H new ATOM 0 HZ PHE A 168 -8.859 -11.027 7.556 1.00 0.40 H new ATOM 2715 N SER A 169 -4.460 -10.850 0.418 1.00 0.48 N ATOM 2716 CA SER A 169 -3.839 -10.949 -0.893 1.00 0.63 C ATOM 2717 C SER A 169 -3.750 -12.393 -1.368 1.00 0.50 C ATOM 2718 O SER A 169 -3.224 -13.262 -0.671 1.00 0.66 O ATOM 2719 CB SER A 169 -2.455 -10.311 -0.868 1.00 1.01 C ATOM 2720 OG SER A 169 -1.618 -10.949 0.074 1.00 1.75 O ATOM 0 H SER A 169 -3.890 -10.376 1.119 1.00 0.48 H new ATOM 0 HA SER A 169 -4.469 -10.410 -1.601 1.00 0.63 H new ATOM 0 HB2 SER A 169 -2.005 -10.372 -1.859 1.00 1.01 H new ATOM 0 HB3 SER A 169 -2.543 -9.253 -0.623 1.00 1.01 H new ATOM 0 HG SER A 169 -1.894 -11.884 0.176 1.00 1.75 H new ATOM 2726 N VAL A 170 -4.296 -12.630 -2.548 1.00 0.46 N ATOM 2727 CA VAL A 170 -4.244 -13.933 -3.186 1.00 0.41 C ATOM 2728 C VAL A 170 -2.829 -14.261 -3.631 1.00 0.41 C ATOM 2729 O VAL A 170 -2.145 -13.421 -4.226 1.00 0.43 O ATOM 2730 CB VAL A 170 -5.172 -13.959 -4.418 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -5.050 -15.255 -5.204 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.603 -13.723 -3.989 1.00 0.57 C ATOM 0 H VAL A 170 -4.789 -11.922 -3.092 1.00 0.46 H new ATOM 0 HA VAL A 170 -4.572 -14.675 -2.458 1.00 0.41 H new ATOM 0 HB VAL A 170 -4.860 -13.156 -5.086 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -5.722 -15.225 -6.061 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -4.024 -15.374 -5.552 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -5.316 -16.096 -4.563 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -7.253 -13.743 -4.864 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.908 -14.504 -3.293 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.681 -12.752 -3.501 1.00 0.57 H new ATOM 2742 N PRO A 171 -2.369 -15.479 -3.329 1.00 0.47 N ATOM 2743 CA PRO A 171 -1.114 -15.992 -3.858 1.00 0.54 C ATOM 2744 C PRO A 171 -1.205 -16.110 -5.371 1.00 0.54 C ATOM 2745 O PRO A 171 -1.713 -17.096 -5.904 1.00 0.62 O ATOM 2746 CB PRO A 171 -0.959 -17.366 -3.197 1.00 0.66 C ATOM 2747 CG PRO A 171 -2.323 -17.735 -2.714 1.00 0.83 C ATOM 2748 CD PRO A 171 -3.048 -16.444 -2.453 1.00 0.57 C ATOM 0 HA PRO A 171 -0.261 -15.346 -3.650 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -0.582 -18.102 -3.907 1.00 0.66 H new ATOM 0 HB3 PRO A 171 -0.248 -17.326 -2.372 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -2.850 -18.332 -3.459 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -2.264 -18.337 -1.807 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -4.108 -16.525 -2.692 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -2.979 -16.151 -1.405 1.00 0.57 H new ATOM 2756 N THR A 172 -0.727 -15.082 -6.052 1.00 0.65 N ATOM 2757 CA THR A 172 -0.922 -14.953 -7.482 1.00 0.78 C ATOM 2758 C THR A 172 -0.173 -16.036 -8.235 1.00 0.73 C ATOM 2759 O THR A 172 0.951 -16.395 -7.877 1.00 0.72 O ATOM 2760 CB THR A 172 -0.447 -13.578 -7.960 1.00 1.07 C ATOM 2761 OG1 THR A 172 -1.078 -12.564 -7.173 1.00 1.78 O ATOM 2762 CG2 THR A 172 -0.760 -13.360 -9.432 1.00 0.81 C ATOM 0 H THR A 172 -0.197 -14.319 -5.631 1.00 0.65 H new ATOM 0 HA THR A 172 -1.988 -15.061 -7.684 1.00 0.78 H new ATOM 0 HB THR A 172 0.635 -13.526 -7.841 1.00 1.07 H new ATOM 0 HG1 THR A 172 -0.393 -12.015 -6.737 1.00 1.78 H new ATOM 0 HG21 THR A 172 -0.409 -12.374 -9.737 1.00 0.81 H new ATOM 0 HG22 THR A 172 -0.259 -14.123 -10.027 1.00 0.81 H new ATOM 0 HG23 THR A 172 -1.837 -13.426 -9.589 1.00 0.81 H new ATOM 2770 N ASP A 173 -0.803 -16.557 -9.269 1.00 0.75 N ATOM 2771 CA ASP A 173 -0.202 -17.610 -10.061 1.00 0.80 C ATOM 2772 C ASP A 173 0.661 -17.001 -11.148 1.00 0.77 C ATOM 2773 O ASP A 173 0.209 -16.768 -12.267 1.00 0.86 O ATOM 2774 CB ASP A 173 -1.277 -18.505 -10.676 1.00 0.99 C ATOM 2775 CG ASP A 173 -0.690 -19.717 -11.369 1.00 1.34 C ATOM 2776 OD1 ASP A 173 -0.244 -20.650 -10.666 1.00 1.94 O ATOM 2777 OD2 ASP A 173 -0.689 -19.756 -12.615 1.00 1.55 O ATOM 0 H ASP A 173 -1.731 -16.268 -9.580 1.00 0.75 H new ATOM 0 HA ASP A 173 0.420 -18.226 -9.412 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -1.964 -18.833 -9.895 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -1.861 -17.927 -11.392 1.00 0.99 H new ATOM 2782 N GLN A 174 1.897 -16.731 -10.781 1.00 0.78 N ATOM 2783 CA GLN A 174 2.904 -16.200 -11.685 1.00 0.94 C ATOM 2784 C GLN A 174 4.249 -16.219 -10.979 1.00 0.89 C ATOM 2785 O GLN A 174 4.443 -16.981 -10.033 1.00 1.21 O ATOM 2786 CB GLN A 174 2.579 -14.768 -12.152 1.00 1.17 C ATOM 2787 CG GLN A 174 2.055 -14.696 -13.582 1.00 1.69 C ATOM 2788 CD GLN A 174 2.637 -15.774 -14.485 1.00 2.98 C ATOM 2789 OE1 GLN A 174 2.086 -16.865 -14.598 1.00 3.60 O ATOM 2790 NE2 GLN A 174 3.753 -15.480 -15.135 1.00 3.76 N ATOM 0 H GLN A 174 2.239 -16.876 -9.831 1.00 0.78 H new ATOM 0 HA GLN A 174 2.925 -16.827 -12.576 1.00 0.94 H new ATOM 0 HB2 GLN A 174 1.838 -14.335 -11.480 1.00 1.17 H new ATOM 0 HB3 GLN A 174 3.477 -14.156 -12.072 1.00 1.17 H new ATOM 0 HG2 GLN A 174 0.969 -14.788 -13.570 1.00 1.69 H new ATOM 0 HG3 GLN A 174 2.288 -13.716 -13.999 1.00 1.69 H new ATOM 0 HE21 GLN A 174 4.185 -14.563 -15.018 1.00 3.76 H new ATOM 0 HE22 GLN A 174 4.181 -16.170 -15.752 1.00 3.76 H new ATOM 2799 N CYS A 175 5.161 -15.381 -11.442 1.00 0.79 N ATOM 2800 CA CYS A 175 6.499 -15.305 -10.881 1.00 0.85 C ATOM 2801 C CYS A 175 6.462 -14.794 -9.438 1.00 1.02 C ATOM 2802 O CYS A 175 6.396 -15.602 -8.512 1.00 2.06 O ATOM 2803 CB CYS A 175 7.355 -14.412 -11.774 1.00 0.90 C ATOM 2804 SG CYS A 175 7.099 -14.750 -13.551 1.00 1.07 S ATOM 0 H CYS A 175 4.996 -14.736 -12.215 1.00 0.79 H new ATOM 0 HA CYS A 175 6.940 -16.301 -10.848 1.00 0.85 H new ATOM 0 HB2 CYS A 175 7.121 -13.367 -11.569 1.00 0.90 H new ATOM 0 HB3 CYS A 175 8.407 -14.558 -11.527 1.00 0.90 H new ATOM 2809 N ILE A 176 6.467 -13.457 -9.269 1.00 0.60 N ATOM 2810 CA ILE A 176 6.388 -12.798 -7.948 1.00 0.56 C ATOM 2811 C ILE A 176 7.138 -13.614 -6.871 1.00 0.80 C ATOM 2812 O ILE A 176 6.551 -14.327 -6.057 1.00 1.52 O ATOM 2813 CB ILE A 176 4.893 -12.486 -7.572 1.00 0.51 C ATOM 2814 CG1 ILE A 176 4.775 -11.569 -6.334 1.00 0.46 C ATOM 2815 CG2 ILE A 176 4.065 -13.755 -7.386 1.00 0.81 C ATOM 2816 CD1 ILE A 176 4.805 -12.296 -4.991 1.00 0.65 C ATOM 0 H ILE A 176 6.526 -12.800 -10.047 1.00 0.60 H new ATOM 0 HA ILE A 176 6.899 -11.836 -8.001 1.00 0.56 H new ATOM 0 HB ILE A 176 4.480 -11.944 -8.423 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.589 -10.845 -6.357 1.00 0.46 H new ATOM 0 HG13 ILE A 176 3.845 -11.005 -6.405 1.00 0.46 H new ATOM 0 HG21 ILE A 176 3.041 -13.486 -7.128 1.00 0.81 H new ATOM 0 HG22 ILE A 176 4.067 -14.330 -8.312 1.00 0.81 H new ATOM 0 HG23 ILE A 176 4.496 -14.356 -6.585 1.00 0.81 H new ATOM 0 HD11 ILE A 176 4.716 -11.570 -4.182 1.00 0.65 H new ATOM 0 HD12 ILE A 176 3.974 -13.000 -4.940 1.00 0.65 H new ATOM 0 HD13 ILE A 176 5.746 -12.837 -4.891 1.00 0.65 H new