USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 48:sc= 1.24 USER MOD Set 2.1: A 33 GLN : amide:sc= -2.5! C(o=-2.5!,f=-3.5!) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -0.0138 F(o=-4.1,f=-2.5) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -152:sc= -1.34! USER MOD Single : A 12 LYS NZ :NH3+ -124:sc= -0.227 (180deg=-1.37!) USER MOD Single : A 14 THR OG1 : rot 130:sc= -0.22 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.18 (180deg=-0.767) USER MOD Single : A 18 THR OG1 : rot -21:sc= 0.651 USER MOD Single : A 21 THR OG1 : rot 106:sc= -1.01 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 52:sc= 1.06 USER MOD Single : A 31 THR OG1 : rot -116:sc= 0.619 USER MOD Single : A 32 THR OG1 : rot -139:sc= -0.32 USER MOD Single : A 40 THR OG1 : rot -68:sc= -0.577 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.293) USER MOD Single : A 55 HIS : no HE2:sc= -5.07! C(o=-5.1!,f=-9.7!) USER MOD Single : A 56 MET CE :methyl -172:sc= -0.0774 (180deg=-0.271) USER MOD Single : A 60 ASN : amide:sc= 1.18 K(o=1.2,f=-0.2) USER MOD Single : A 62 SER OG : rot -170:sc= -0.49 USER MOD Single : A 66 THR OG1 : rot 8:sc= 0.488 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -7.94! C(o=-12!,f=-7.9!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.068) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-2.9!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 102 THR OG1 : rot 69:sc= -0.0962 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.46 USER MOD Single : A 106 MET CE :methyl 174:sc= -1.73 (180deg=-1.88) USER MOD Single : A 119 THR OG1 : rot 81:sc= 1.06 USER MOD Single : A 121 GLN : amide:sc= -0.0907 K(o=-0.091,f=-1.1) USER MOD Single : A 124 GLN : amide:sc= -5.56! C(o=-5.6!,f=-11!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -131:sc= 0.039 (180deg=-0.998) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 109:sc= -1.04 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 20.137 -0.178 5.441 1.00 0.00 N ATOM 67 CA ILE A 8 19.064 -1.090 5.816 1.00 0.00 C ATOM 68 C ILE A 8 18.492 -1.799 4.593 1.00 0.00 C ATOM 69 O ILE A 8 18.302 -1.203 3.532 1.00 0.00 O ATOM 70 CB ILE A 8 17.926 -0.351 6.546 1.00 0.00 C ATOM 71 CG1 ILE A 8 18.124 -0.435 8.061 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.577 -0.932 6.150 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.841 -0.279 8.847 1.00 0.00 C ATOM 0 HA ILE A 8 19.499 -1.828 6.490 1.00 0.00 H new ATOM 0 HB ILE A 8 17.948 0.699 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.577 -1.395 8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.827 0.338 8.371 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.783 -0.399 6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.437 -0.825 5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.543 -1.988 6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.057 -0.349 9.913 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.397 0.692 8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.144 -1.068 8.565 1.00 0.00 H new ATOM 85 N PRO A 9 18.208 -3.101 4.743 1.00 0.00 N ATOM 86 CA PRO A 9 17.651 -3.919 3.661 1.00 0.00 C ATOM 87 C PRO A 9 16.159 -3.677 3.461 1.00 0.00 C ATOM 88 O PRO A 9 15.432 -3.389 4.413 1.00 0.00 O ATOM 89 CB PRO A 9 17.902 -5.353 4.136 1.00 0.00 C ATOM 90 CG PRO A 9 17.932 -5.260 5.622 1.00 0.00 C ATOM 91 CD PRO A 9 18.409 -3.875 5.979 1.00 0.00 C ATOM 0 HA PRO A 9 18.107 -3.688 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.114 -6.026 3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.842 -5.741 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.941 -5.444 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.598 -6.015 6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.839 -3.458 6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.456 -3.879 6.282 1.00 0.00 H new ATOM 99 N THR A 10 15.706 -3.796 2.217 1.00 0.00 N ATOM 100 CA THR A 10 14.301 -3.590 1.892 1.00 0.00 C ATOM 101 C THR A 10 13.821 -4.603 0.858 1.00 0.00 C ATOM 102 O THR A 10 14.612 -5.381 0.324 1.00 0.00 O ATOM 103 CB THR A 10 14.051 -2.168 1.355 1.00 0.00 C ATOM 104 OG1 THR A 10 14.752 -1.980 0.121 1.00 0.00 O ATOM 105 CG2 THR A 10 14.501 -1.122 2.364 1.00 0.00 C ATOM 0 H THR A 10 16.293 -4.034 1.418 1.00 0.00 H new ATOM 0 HA THR A 10 13.740 -3.725 2.817 1.00 0.00 H new ATOM 0 HB THR A 10 12.981 -2.050 1.186 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.586 -1.074 -0.215 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.315 -0.126 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.945 -1.249 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.567 -1.241 2.560 1.00 0.00 H new ATOM 113 N CYS A 11 12.523 -4.586 0.579 1.00 0.00 N ATOM 114 CA CYS A 11 11.938 -5.504 -0.392 1.00 0.00 C ATOM 115 C CYS A 11 10.773 -4.848 -1.127 1.00 0.00 C ATOM 116 O CYS A 11 10.414 -3.704 -0.848 1.00 0.00 O ATOM 117 CB CYS A 11 11.463 -6.781 0.303 1.00 0.00 C ATOM 118 SG CYS A 11 11.526 -8.256 -0.741 1.00 0.00 S ATOM 0 H CYS A 11 11.855 -3.947 1.011 1.00 0.00 H new ATOM 0 HA CYS A 11 12.707 -5.760 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.076 -6.949 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.439 -6.636 0.647 1.00 0.00 H new ATOM 0 HG CYS A 11 10.618 -9.101 -0.353 1.00 0.00 H new ATOM 124 N LYS A 12 10.187 -5.580 -2.069 1.00 0.00 N ATOM 125 CA LYS A 12 9.063 -5.070 -2.845 1.00 0.00 C ATOM 126 C LYS A 12 7.754 -5.705 -2.388 1.00 0.00 C ATOM 127 O LYS A 12 7.713 -6.886 -2.043 1.00 0.00 O ATOM 128 CB LYS A 12 9.281 -5.343 -4.336 1.00 0.00 C ATOM 129 CG LYS A 12 8.052 -5.077 -5.188 1.00 0.00 C ATOM 130 CD LYS A 12 8.407 -4.985 -6.663 1.00 0.00 C ATOM 131 CE LYS A 12 9.047 -3.647 -7.000 1.00 0.00 C ATOM 132 NZ LYS A 12 10.533 -3.734 -7.025 1.00 0.00 N ATOM 0 H LYS A 12 10.472 -6.528 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 12 9.000 -3.994 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.103 -4.723 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.585 -6.381 -4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.324 -5.874 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.580 -4.148 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.091 -5.793 -6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.508 -5.121 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.687 -3.306 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.739 -2.902 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.933 -3.034 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.830 -4.688 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.876 -3.540 -7.987 1.00 0.00 H new ATOM 146 N ILE A 13 6.686 -4.914 -2.389 1.00 0.00 N ATOM 147 CA ILE A 13 5.375 -5.400 -1.976 1.00 0.00 C ATOM 148 C ILE A 13 4.327 -5.134 -3.051 1.00 0.00 C ATOM 149 O ILE A 13 3.581 -4.157 -2.980 1.00 0.00 O ATOM 150 CB ILE A 13 4.921 -4.745 -0.659 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.914 -5.059 0.462 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.525 -5.219 -0.285 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.191 -6.537 0.626 1.00 0.00 C ATOM 0 H ILE A 13 6.703 -3.934 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 13 5.471 -6.475 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 13 4.891 -3.665 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.852 -4.542 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.527 -4.664 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.218 -4.747 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.825 -4.949 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.530 -6.302 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.903 -6.686 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.262 -7.058 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.608 -6.934 -0.300 1.00 0.00 H new ATOM 165 N THR A 14 4.274 -6.012 -4.049 1.00 0.00 N ATOM 166 CA THR A 14 3.317 -5.873 -5.139 1.00 0.00 C ATOM 167 C THR A 14 2.080 -6.731 -4.897 1.00 0.00 C ATOM 168 O THR A 14 2.160 -7.960 -4.870 1.00 0.00 O ATOM 169 CB THR A 14 3.943 -6.265 -6.490 1.00 0.00 C ATOM 170 OG1 THR A 14 5.292 -5.789 -6.561 1.00 0.00 O ATOM 171 CG2 THR A 14 3.137 -5.694 -7.647 1.00 0.00 C ATOM 0 H THR A 14 4.883 -6.827 -4.124 1.00 0.00 H new ATOM 0 HA THR A 14 3.027 -4.823 -5.173 1.00 0.00 H new ATOM 0 HB THR A 14 3.937 -7.352 -6.566 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.883 -6.520 -6.837 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.599 -5.984 -8.591 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.119 -6.081 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.115 -4.607 -7.573 1.00 0.00 H new ATOM 179 N LEU A 15 0.937 -6.077 -4.723 1.00 0.00 N ATOM 180 CA LEU A 15 -0.319 -6.780 -4.484 1.00 0.00 C ATOM 181 C LEU A 15 -1.345 -6.443 -5.560 1.00 0.00 C ATOM 182 O LEU A 15 -1.523 -5.279 -5.921 1.00 0.00 O ATOM 183 CB LEU A 15 -0.873 -6.421 -3.104 1.00 0.00 C ATOM 184 CG LEU A 15 0.129 -6.454 -1.949 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.247 -5.432 -0.887 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.203 -7.849 -1.346 1.00 0.00 C ATOM 0 H LEU A 15 0.854 -5.061 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.120 -7.851 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.304 -5.421 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.687 -7.107 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 15 1.113 -6.196 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.477 -5.470 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.248 -4.434 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.240 -5.658 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.921 -7.853 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.779 -8.135 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.520 -8.559 -2.110 1.00 0.00 H new ATOM 198 N LYS A 16 -2.021 -7.468 -6.068 1.00 0.00 N ATOM 199 CA LYS A 16 -3.033 -7.281 -7.101 1.00 0.00 C ATOM 200 C LYS A 16 -4.347 -7.944 -6.701 1.00 0.00 C ATOM 201 O LYS A 16 -4.500 -9.159 -6.819 1.00 0.00 O ATOM 202 CB LYS A 16 -2.544 -7.856 -8.433 1.00 0.00 C ATOM 203 CG LYS A 16 -1.476 -7.010 -9.105 1.00 0.00 C ATOM 204 CD LYS A 16 -0.098 -7.293 -8.531 1.00 0.00 C ATOM 205 CE LYS A 16 0.989 -7.123 -9.581 1.00 0.00 C ATOM 206 NZ LYS A 16 0.817 -8.073 -10.715 1.00 0.00 N ATOM 0 H LYS A 16 -1.886 -8.437 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.206 -6.211 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.149 -8.858 -8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.393 -7.958 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.473 -7.210 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.714 -5.954 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.094 -6.621 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.069 -8.309 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.973 -6.100 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.965 -7.278 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.747 -8.305 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.361 -8.943 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.222 -7.635 -11.447 1.00 0.00 H new ATOM 220 N GLU A 17 -5.292 -7.137 -6.229 1.00 0.00 N ATOM 221 CA GLU A 17 -6.593 -7.647 -5.812 1.00 0.00 C ATOM 222 C GLU A 17 -7.708 -7.063 -6.675 1.00 0.00 C ATOM 223 O GLU A 17 -7.577 -5.967 -7.221 1.00 0.00 O ATOM 224 CB GLU A 17 -6.847 -7.319 -4.340 1.00 0.00 C ATOM 225 CG GLU A 17 -8.204 -7.783 -3.838 1.00 0.00 C ATOM 226 CD GLU A 17 -8.389 -9.283 -3.958 1.00 0.00 C ATOM 227 OE1 GLU A 17 -7.630 -10.029 -3.305 1.00 0.00 O ATOM 228 OE2 GLU A 17 -9.294 -9.711 -4.706 1.00 0.00 O ATOM 0 H GLU A 17 -5.181 -6.128 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.588 -8.730 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.068 -7.781 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.765 -6.241 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.321 -7.489 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.988 -7.278 -4.402 1.00 0.00 H new ATOM 235 N THR A 18 -8.807 -7.802 -6.793 1.00 0.00 N ATOM 236 CA THR A 18 -9.944 -7.359 -7.589 1.00 0.00 C ATOM 237 C THR A 18 -11.098 -6.913 -6.699 1.00 0.00 C ATOM 238 O THR A 18 -11.530 -7.647 -5.810 1.00 0.00 O ATOM 239 CB THR A 18 -10.439 -8.473 -8.531 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.322 -9.127 -9.145 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.355 -7.907 -9.605 1.00 0.00 C ATOM 0 H THR A 18 -8.933 -8.711 -6.347 1.00 0.00 H new ATOM 0 HA THR A 18 -9.601 -6.514 -8.186 1.00 0.00 H new ATOM 0 HB THR A 18 -11.002 -9.195 -7.940 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.537 -8.542 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.692 -8.713 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.218 -7.436 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.812 -7.167 -10.193 1.00 0.00 H new ATOM 249 N PHE A 19 -11.595 -5.704 -6.943 1.00 0.00 N ATOM 250 CA PHE A 19 -12.699 -5.160 -6.162 1.00 0.00 C ATOM 251 C PHE A 19 -14.002 -5.210 -6.955 1.00 0.00 C ATOM 252 O PHE A 19 -14.021 -4.940 -8.157 1.00 0.00 O ATOM 253 CB PHE A 19 -12.397 -3.719 -5.747 1.00 0.00 C ATOM 254 CG PHE A 19 -11.289 -3.605 -4.740 1.00 0.00 C ATOM 255 CD1 PHE A 19 -9.963 -3.659 -5.139 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.573 -3.444 -3.393 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.942 -3.555 -4.213 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.556 -3.340 -2.463 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.239 -3.394 -2.874 1.00 0.00 C ATOM 0 H PHE A 19 -11.250 -5.083 -7.675 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.814 -5.772 -5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.133 -3.142 -6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.301 -3.272 -5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.725 -3.784 -6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.601 -3.399 -3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.913 -3.600 -4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.791 -3.217 -1.416 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.442 -3.310 -2.150 1.00 0.00 H new ATOM 269 N LEU A 20 -15.089 -5.556 -6.275 1.00 0.00 N ATOM 270 CA LEU A 20 -16.397 -5.643 -6.915 1.00 0.00 C ATOM 271 C LEU A 20 -17.040 -4.264 -7.027 1.00 0.00 C ATOM 272 O LEU A 20 -18.247 -4.112 -6.835 1.00 0.00 O ATOM 273 CB LEU A 20 -17.312 -6.582 -6.126 1.00 0.00 C ATOM 274 CG LEU A 20 -17.058 -8.078 -6.313 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.417 -8.508 -7.726 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.607 -8.416 -6.003 1.00 0.00 C ATOM 0 H LEU A 20 -15.091 -5.781 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.257 -6.042 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.214 -6.347 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.344 -6.371 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.694 -8.624 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.230 -9.576 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.471 -8.303 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.808 -7.954 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.445 -9.485 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.952 -7.860 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.383 -8.146 -4.971 1.00 0.00 H new ATOM 288 N THR A 21 -16.227 -3.261 -7.342 1.00 0.00 N ATOM 289 CA THR A 21 -16.716 -1.895 -7.481 1.00 0.00 C ATOM 290 C THR A 21 -15.972 -1.155 -8.586 1.00 0.00 C ATOM 291 O THR A 21 -14.904 -1.583 -9.024 1.00 0.00 O ATOM 292 CB THR A 21 -16.570 -1.109 -6.164 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.310 0.114 -6.239 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.108 -0.805 -5.874 1.00 0.00 C ATOM 0 H THR A 21 -15.226 -3.369 -7.506 1.00 0.00 H new ATOM 0 HA THR A 21 -17.773 -1.962 -7.740 1.00 0.00 H new ATOM 0 HB THR A 21 -16.965 -1.723 -5.355 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.122 0.039 -5.695 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.030 -0.250 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.552 -1.739 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.692 -0.209 -6.686 1.00 0.00 H new ATOM 302 N SER A 22 -16.542 -0.041 -9.034 1.00 0.00 N ATOM 303 CA SER A 22 -15.934 0.758 -10.092 1.00 0.00 C ATOM 304 C SER A 22 -14.769 1.581 -9.549 1.00 0.00 C ATOM 305 O SER A 22 -14.713 1.921 -8.367 1.00 0.00 O ATOM 306 CB SER A 22 -16.976 1.683 -10.724 1.00 0.00 C ATOM 307 OG SER A 22 -18.113 0.954 -11.152 1.00 0.00 O ATOM 0 H SER A 22 -17.424 0.329 -8.681 1.00 0.00 H new ATOM 0 HA SER A 22 -15.552 0.078 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.278 2.443 -10.003 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.535 2.206 -11.572 1.00 0.00 H new ATOM 0 HG SER A 22 -18.764 1.568 -11.551 1.00 0.00 H new ATOM 313 N PRO A 23 -13.815 1.908 -10.434 1.00 0.00 N ATOM 314 CA PRO A 23 -12.634 2.695 -10.068 1.00 0.00 C ATOM 315 C PRO A 23 -12.992 3.940 -9.263 1.00 0.00 C ATOM 316 O PRO A 23 -12.553 4.101 -8.125 1.00 0.00 O ATOM 317 CB PRO A 23 -12.037 3.088 -11.422 1.00 0.00 C ATOM 318 CG PRO A 23 -12.493 2.024 -12.360 1.00 0.00 C ATOM 319 CD PRO A 23 -13.817 1.536 -11.858 1.00 0.00 C ATOM 0 HA PRO A 23 -11.951 2.132 -9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.386 4.071 -11.738 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.949 3.136 -11.376 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.585 2.416 -13.373 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.771 1.209 -12.399 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.644 2.004 -12.392 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.922 0.459 -11.989 1.00 0.00 H new ATOM 327 N GLU A 24 -13.793 4.816 -9.862 1.00 0.00 N ATOM 328 CA GLU A 24 -14.209 6.046 -9.199 1.00 0.00 C ATOM 329 C GLU A 24 -14.575 5.782 -7.741 1.00 0.00 C ATOM 330 O GLU A 24 -14.333 6.616 -6.869 1.00 0.00 O ATOM 331 CB GLU A 24 -15.401 6.668 -9.930 1.00 0.00 C ATOM 332 CG GLU A 24 -16.742 6.088 -9.512 1.00 0.00 C ATOM 333 CD GLU A 24 -17.872 6.509 -10.431 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.911 7.696 -10.817 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.717 5.652 -10.764 1.00 0.00 O ATOM 0 H GLU A 24 -14.166 4.697 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.371 6.743 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.407 7.743 -9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.272 6.527 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.675 5.000 -9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.969 6.405 -8.494 1.00 0.00 H new ATOM 342 N GLU A 25 -15.159 4.615 -7.486 1.00 0.00 N ATOM 343 CA GLU A 25 -15.559 4.242 -6.134 1.00 0.00 C ATOM 344 C GLU A 25 -14.339 4.062 -5.236 1.00 0.00 C ATOM 345 O GLU A 25 -14.101 4.857 -4.325 1.00 0.00 O ATOM 346 CB GLU A 25 -16.382 2.952 -6.160 1.00 0.00 C ATOM 347 CG GLU A 25 -17.408 2.862 -5.043 1.00 0.00 C ATOM 348 CD GLU A 25 -18.746 3.461 -5.430 1.00 0.00 C ATOM 349 OE1 GLU A 25 -19.032 3.541 -6.643 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.507 3.849 -4.520 1.00 0.00 O ATOM 0 H GLU A 25 -15.365 3.913 -8.197 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.171 5.047 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.894 2.877 -7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.707 2.099 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.548 1.817 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.026 3.376 -4.161 1.00 0.00 H new ATOM 357 N LEU A 26 -13.569 3.012 -5.497 1.00 0.00 N ATOM 358 CA LEU A 26 -12.373 2.726 -4.713 1.00 0.00 C ATOM 359 C LEU A 26 -11.418 3.915 -4.722 1.00 0.00 C ATOM 360 O LEU A 26 -10.585 4.063 -3.827 1.00 0.00 O ATOM 361 CB LEU A 26 -11.665 1.485 -5.260 1.00 0.00 C ATOM 362 CG LEU A 26 -10.658 0.818 -4.321 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.359 0.268 -3.089 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.904 -0.287 -5.046 1.00 0.00 C ATOM 0 H LEU A 26 -13.752 2.344 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.680 2.538 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.422 0.749 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.147 1.762 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.938 1.570 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.626 -0.203 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.852 1.082 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.102 -0.470 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.192 -0.750 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.610 -1.039 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.369 0.135 -5.896 1.00 0.00 H new ATOM 376 N TYR A 27 -11.546 4.761 -5.738 1.00 0.00 N ATOM 377 CA TYR A 27 -10.694 5.938 -5.864 1.00 0.00 C ATOM 378 C TYR A 27 -10.889 6.881 -4.680 1.00 0.00 C ATOM 379 O TYR A 27 -9.979 7.620 -4.304 1.00 0.00 O ATOM 380 CB TYR A 27 -10.995 6.674 -7.171 1.00 0.00 C ATOM 381 CG TYR A 27 -9.984 7.746 -7.509 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.623 7.526 -7.331 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.389 8.979 -8.005 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.696 8.502 -7.638 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.468 9.961 -8.316 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.123 9.718 -8.130 1.00 0.00 C ATOM 387 OH TYR A 27 -7.203 10.694 -8.438 1.00 0.00 O ATOM 0 H TYR A 27 -12.231 4.654 -6.486 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.656 5.605 -5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.031 5.951 -7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.984 7.127 -7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.285 6.575 -6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.441 9.173 -8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.642 8.314 -7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.799 10.913 -8.703 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.520 10.323 -9.035 1.00 0.00 H new ATOM 397 N ARG A 28 -12.082 6.848 -4.096 1.00 0.00 N ATOM 398 CA ARG A 28 -12.398 7.699 -2.955 1.00 0.00 C ATOM 399 C ARG A 28 -11.922 7.062 -1.653 1.00 0.00 C ATOM 400 O ARG A 28 -11.182 7.674 -0.884 1.00 0.00 O ATOM 401 CB ARG A 28 -13.904 7.959 -2.888 1.00 0.00 C ATOM 402 CG ARG A 28 -14.545 8.184 -4.247 1.00 0.00 C ATOM 403 CD ARG A 28 -15.960 7.628 -4.295 1.00 0.00 C ATOM 404 NE ARG A 28 -16.749 8.233 -5.365 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.408 9.379 -5.234 1.00 0.00 C ATOM 406 NH1 ARG A 28 -17.372 10.041 -4.086 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.105 9.865 -6.253 1.00 0.00 N ATOM 0 H ARG A 28 -12.846 6.241 -4.394 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.878 8.648 -3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.389 7.112 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.086 8.832 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.565 9.251 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.940 7.709 -5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.921 6.548 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.451 7.804 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.797 7.749 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.837 9.671 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.879 10.921 -3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.135 9.359 -7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.611 10.745 -6.151 1.00 0.00 H new ATOM 421 N VAL A 29 -12.353 5.827 -1.412 1.00 0.00 N ATOM 422 CA VAL A 29 -11.971 5.106 -0.204 1.00 0.00 C ATOM 423 C VAL A 29 -10.499 5.326 0.125 1.00 0.00 C ATOM 424 O VAL A 29 -10.103 5.309 1.290 1.00 0.00 O ATOM 425 CB VAL A 29 -12.234 3.595 -0.346 1.00 0.00 C ATOM 426 CG1 VAL A 29 -12.002 2.886 0.980 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.647 3.346 -0.852 1.00 0.00 C ATOM 0 H VAL A 29 -12.967 5.306 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.584 5.499 0.607 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.534 3.189 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.193 1.819 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.970 3.037 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.677 3.293 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.816 2.273 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.365 3.766 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.774 3.820 -1.825 1.00 0.00 H new ATOM 437 N PHE A 30 -9.692 5.533 -0.911 1.00 0.00 N ATOM 438 CA PHE A 30 -8.262 5.756 -0.732 1.00 0.00 C ATOM 439 C PHE A 30 -7.944 7.248 -0.697 1.00 0.00 C ATOM 440 O PHE A 30 -6.942 7.669 -0.118 1.00 0.00 O ATOM 441 CB PHE A 30 -7.475 5.082 -1.858 1.00 0.00 C ATOM 442 CG PHE A 30 -7.268 3.609 -1.647 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.280 2.707 -1.932 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.063 3.128 -1.163 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.094 1.351 -1.739 1.00 0.00 C ATOM 446 CE2 PHE A 30 -5.870 1.773 -0.969 1.00 0.00 C ATOM 447 CZ PHE A 30 -6.887 0.884 -1.256 1.00 0.00 C ATOM 0 H PHE A 30 -10.004 5.551 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.968 5.317 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.001 5.235 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.504 5.567 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.225 3.068 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.265 3.819 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.891 0.658 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.925 1.410 -0.593 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.739 -0.175 -1.103 1.00 0.00 H new ATOM 457 N THR A 31 -8.806 8.045 -1.321 1.00 0.00 N ATOM 458 CA THR A 31 -8.617 9.490 -1.364 1.00 0.00 C ATOM 459 C THR A 31 -9.703 10.209 -0.572 1.00 0.00 C ATOM 460 O THR A 31 -10.063 11.346 -0.882 1.00 0.00 O ATOM 461 CB THR A 31 -8.621 10.015 -2.812 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.930 9.886 -3.377 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.618 9.253 -3.666 1.00 0.00 C ATOM 0 H THR A 31 -9.642 7.714 -1.803 1.00 0.00 H new ATOM 0 HA THR A 31 -7.646 9.695 -0.914 1.00 0.00 H new ATOM 0 HB THR A 31 -8.336 11.067 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.901 9.260 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.638 9.641 -4.684 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.618 9.377 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.878 8.195 -3.676 1.00 0.00 H new ATOM 471 N THR A 32 -10.223 9.541 0.453 1.00 0.00 N ATOM 472 CA THR A 32 -11.269 10.117 1.289 1.00 0.00 C ATOM 473 C THR A 32 -11.109 9.687 2.743 1.00 0.00 C ATOM 474 O THR A 32 -11.412 8.549 3.099 1.00 0.00 O ATOM 475 CB THR A 32 -12.670 9.709 0.796 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.786 9.953 -0.610 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.751 10.480 1.540 1.00 0.00 C ATOM 0 H THR A 32 -9.937 8.600 0.724 1.00 0.00 H new ATOM 0 HA THR A 32 -11.169 11.200 1.220 1.00 0.00 H new ATOM 0 HB THR A 32 -12.804 8.645 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.671 10.327 -0.805 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.732 10.175 1.175 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.679 10.269 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.617 11.549 1.372 1.00 0.00 H new ATOM 485 N GLN A 33 -10.633 10.605 3.577 1.00 0.00 N ATOM 486 CA GLN A 33 -10.434 10.320 4.993 1.00 0.00 C ATOM 487 C GLN A 33 -11.614 9.540 5.563 1.00 0.00 C ATOM 488 O GLN A 33 -11.469 8.389 5.973 1.00 0.00 O ATOM 489 CB GLN A 33 -10.241 11.620 5.775 1.00 0.00 C ATOM 490 CG GLN A 33 -10.099 11.414 7.274 1.00 0.00 C ATOM 491 CD GLN A 33 -9.734 12.689 8.007 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.319 13.674 7.395 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.888 12.679 9.326 1.00 0.00 N ATOM 0 H GLN A 33 -10.378 11.552 3.297 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.537 9.709 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.353 12.130 5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.090 12.277 5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.036 11.025 7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.335 10.660 7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.235 11.841 9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.659 13.509 9.872 1.00 0.00 H new ATOM 502 N GLU A 34 -12.781 10.176 5.586 1.00 0.00 N ATOM 503 CA GLU A 34 -13.986 9.541 6.107 1.00 0.00 C ATOM 504 C GLU A 34 -14.043 8.070 5.704 1.00 0.00 C ATOM 505 O GLU A 34 -14.047 7.181 6.557 1.00 0.00 O ATOM 506 CB GLU A 34 -15.233 10.268 5.600 1.00 0.00 C ATOM 507 CG GLU A 34 -16.536 9.607 6.018 1.00 0.00 C ATOM 508 CD GLU A 34 -17.706 10.572 6.016 1.00 0.00 C ATOM 509 OE1 GLU A 34 -18.031 11.107 4.936 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.296 10.791 7.094 1.00 0.00 O ATOM 0 H GLU A 34 -12.918 11.129 5.250 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.956 9.602 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.221 11.293 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.195 10.321 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.752 8.779 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.421 9.184 7.016 1.00 0.00 H new ATOM 517 N LEU A 35 -14.089 7.821 4.400 1.00 0.00 N ATOM 518 CA LEU A 35 -14.146 6.458 3.883 1.00 0.00 C ATOM 519 C LEU A 35 -13.082 5.582 4.536 1.00 0.00 C ATOM 520 O LEU A 35 -13.309 4.400 4.796 1.00 0.00 O ATOM 521 CB LEU A 35 -13.961 6.459 2.365 1.00 0.00 C ATOM 522 CG LEU A 35 -14.971 7.283 1.566 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.803 7.034 0.075 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.391 6.957 2.006 1.00 0.00 C ATOM 0 H LEU A 35 -14.088 8.545 3.681 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.126 6.046 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.961 6.831 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.004 5.428 2.013 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.784 8.339 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.530 7.629 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.796 7.317 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.962 5.977 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.097 7.552 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.589 5.898 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.506 7.187 3.065 1.00 0.00 H new ATOM 536 N VAL A 36 -11.920 6.170 4.802 1.00 0.00 N ATOM 537 CA VAL A 36 -10.821 5.445 5.428 1.00 0.00 C ATOM 538 C VAL A 36 -11.161 5.066 6.865 1.00 0.00 C ATOM 539 O VAL A 36 -10.935 3.933 7.288 1.00 0.00 O ATOM 540 CB VAL A 36 -9.524 6.275 5.420 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.365 5.460 5.973 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.217 6.770 4.015 1.00 0.00 C ATOM 0 H VAL A 36 -11.715 7.147 4.593 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.666 4.538 4.843 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.665 7.144 6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.457 6.063 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.587 5.161 6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.219 4.571 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.297 7.355 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.095 5.917 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.038 7.393 3.661 1.00 0.00 H new ATOM 552 N GLN A 37 -11.706 6.023 7.610 1.00 0.00 N ATOM 553 CA GLN A 37 -12.077 5.789 9.001 1.00 0.00 C ATOM 554 C GLN A 37 -13.228 4.792 9.097 1.00 0.00 C ATOM 555 O GLN A 37 -13.654 4.426 10.191 1.00 0.00 O ATOM 556 CB GLN A 37 -12.469 7.105 9.674 1.00 0.00 C ATOM 557 CG GLN A 37 -11.306 7.812 10.351 1.00 0.00 C ATOM 558 CD GLN A 37 -11.682 9.186 10.871 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.847 10.139 9.962 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.821 9.389 12.078 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.900 6.966 7.274 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.213 5.369 9.516 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.903 7.770 8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.244 6.908 10.414 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.946 7.201 11.178 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.482 7.908 9.643 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.684 8.627 12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.073 10.319 12.413 1.00 0.00 H new ATOM 569 N ALA A 38 -13.726 4.358 7.944 1.00 0.00 N ATOM 570 CA ALA A 38 -14.826 3.403 7.898 1.00 0.00 C ATOM 571 C ALA A 38 -14.307 1.969 7.878 1.00 0.00 C ATOM 572 O ALA A 38 -14.743 1.129 8.666 1.00 0.00 O ATOM 573 CB ALA A 38 -15.703 3.665 6.684 1.00 0.00 C ATOM 0 H ALA A 38 -13.385 4.653 7.029 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.425 3.533 8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.520 2.944 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.111 4.674 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.108 3.565 5.777 1.00 0.00 H new ATOM 579 N PHE A 39 -13.374 1.695 6.973 1.00 0.00 N ATOM 580 CA PHE A 39 -12.797 0.361 6.849 1.00 0.00 C ATOM 581 C PHE A 39 -11.582 0.208 7.759 1.00 0.00 C ATOM 582 O PHE A 39 -10.872 -0.797 7.703 1.00 0.00 O ATOM 583 CB PHE A 39 -12.399 0.087 5.397 1.00 0.00 C ATOM 584 CG PHE A 39 -11.092 0.716 5.006 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.891 0.089 5.300 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.064 1.932 4.343 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.687 0.666 4.941 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.863 2.513 3.981 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.673 1.879 4.280 1.00 0.00 C ATOM 0 H PHE A 39 -13.001 2.379 6.314 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.551 -0.364 7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.335 -0.990 5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.183 0.458 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.896 -0.860 5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.991 2.432 4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.758 0.169 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.855 3.462 3.465 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.733 2.331 3.998 1.00 0.00 H new ATOM 599 N THR A 40 -11.348 1.212 8.599 1.00 0.00 N ATOM 600 CA THR A 40 -10.219 1.191 9.520 1.00 0.00 C ATOM 601 C THR A 40 -10.690 1.275 10.968 1.00 0.00 C ATOM 602 O THR A 40 -9.968 0.890 11.889 1.00 0.00 O ATOM 603 CB THR A 40 -9.245 2.350 9.241 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.906 3.605 9.438 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.705 2.273 7.821 1.00 0.00 C ATOM 0 H THR A 40 -11.926 2.050 8.660 1.00 0.00 H new ATOM 0 HA THR A 40 -9.700 0.245 9.363 1.00 0.00 H new ATOM 0 HB THR A 40 -8.409 2.268 9.936 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.582 3.732 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.019 3.102 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.176 1.330 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.532 2.332 7.114 1.00 0.00 H new ATOM 613 N HIS A 41 -11.904 1.779 11.163 1.00 0.00 N ATOM 614 CA HIS A 41 -12.471 1.912 12.500 1.00 0.00 C ATOM 615 C HIS A 41 -11.440 2.475 13.474 1.00 0.00 C ATOM 616 O HIS A 41 -11.306 1.992 14.598 1.00 0.00 O ATOM 617 CB HIS A 41 -12.976 0.558 12.999 1.00 0.00 C ATOM 618 CG HIS A 41 -14.030 -0.048 12.125 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.373 0.237 12.256 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.932 -0.927 11.100 1.00 0.00 C ATOM 621 CE1 HIS A 41 -16.055 -0.442 11.351 1.00 0.00 C ATOM 622 NE2 HIS A 41 -15.204 -1.156 10.637 1.00 0.00 N ATOM 0 H HIS A 41 -12.514 2.102 10.412 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.309 2.606 12.445 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.134 -0.131 13.069 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.375 0.677 14.006 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.022 -1.366 10.718 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.126 -0.417 11.218 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.452 -1.777 9.867 1.00 0.00 H new ATOM 631 N ALA A 42 -10.714 3.497 13.034 1.00 0.00 N ATOM 632 CA ALA A 42 -9.696 4.126 13.867 1.00 0.00 C ATOM 633 C ALA A 42 -9.392 5.541 13.388 1.00 0.00 C ATOM 634 O ALA A 42 -9.504 5.860 12.204 1.00 0.00 O ATOM 635 CB ALA A 42 -8.428 3.286 13.875 1.00 0.00 C ATOM 0 H ALA A 42 -10.812 3.907 12.105 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.083 4.190 14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.677 3.767 14.501 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.650 2.295 14.272 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.047 3.192 12.858 1.00 0.00 H new ATOM 641 N PRO A 43 -9.000 6.413 14.329 1.00 0.00 N ATOM 642 CA PRO A 43 -8.673 7.810 14.027 1.00 0.00 C ATOM 643 C PRO A 43 -7.737 7.940 12.830 1.00 0.00 C ATOM 644 O PRO A 43 -6.517 7.868 12.973 1.00 0.00 O ATOM 645 CB PRO A 43 -7.980 8.296 15.302 1.00 0.00 C ATOM 646 CG PRO A 43 -8.523 7.426 16.383 1.00 0.00 C ATOM 647 CD PRO A 43 -8.846 6.103 15.760 1.00 0.00 C ATOM 0 HA PRO A 43 -9.558 8.387 13.760 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.897 8.202 15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.196 9.347 15.494 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.794 7.307 17.185 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.414 7.872 16.826 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.050 5.377 15.928 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.759 5.677 16.177 1.00 0.00 H new ATOM 655 N ALA A 44 -8.317 8.132 11.649 1.00 0.00 N ATOM 656 CA ALA A 44 -7.535 8.275 10.428 1.00 0.00 C ATOM 657 C ALA A 44 -7.679 9.676 9.844 1.00 0.00 C ATOM 658 O ALA A 44 -8.767 10.253 9.846 1.00 0.00 O ATOM 659 CB ALA A 44 -7.957 7.230 9.406 1.00 0.00 C ATOM 0 H ALA A 44 -9.326 8.192 11.513 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.485 8.120 10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.365 7.348 8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.796 6.233 9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.013 7.358 9.169 1.00 0.00 H new ATOM 665 N THR A 45 -6.574 10.221 9.345 1.00 0.00 N ATOM 666 CA THR A 45 -6.576 11.556 8.760 1.00 0.00 C ATOM 667 C THR A 45 -6.002 11.538 7.348 1.00 0.00 C ATOM 668 O THR A 45 -4.785 11.533 7.162 1.00 0.00 O ATOM 669 CB THR A 45 -5.768 12.547 9.619 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.437 12.776 10.864 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.580 13.868 8.887 1.00 0.00 C ATOM 0 H THR A 45 -5.665 9.758 9.334 1.00 0.00 H new ATOM 0 HA THR A 45 -7.615 11.883 8.722 1.00 0.00 H new ATOM 0 HB THR A 45 -4.787 12.112 9.810 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.916 13.406 11.404 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.007 14.552 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.044 13.694 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.554 14.305 8.669 1.00 0.00 H new ATOM 679 N LEU A 46 -6.885 11.530 6.356 1.00 0.00 N ATOM 680 CA LEU A 46 -6.466 11.514 4.959 1.00 0.00 C ATOM 681 C LEU A 46 -6.748 12.855 4.290 1.00 0.00 C ATOM 682 O LEU A 46 -7.802 13.454 4.501 1.00 0.00 O ATOM 683 CB LEU A 46 -7.183 10.393 4.203 1.00 0.00 C ATOM 684 CG LEU A 46 -6.471 9.860 2.960 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.728 8.370 2.795 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.921 10.620 1.721 1.00 0.00 C ATOM 0 H LEU A 46 -7.896 11.534 6.493 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.391 11.334 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.342 9.562 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.168 10.754 3.906 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.399 10.011 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.213 8.008 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.356 7.838 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.799 8.195 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.404 10.227 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.997 10.500 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.685 11.678 1.837 1.00 0.00 H new ATOM 698 N GLU A 47 -5.801 13.319 3.481 1.00 0.00 N ATOM 699 CA GLU A 47 -5.949 14.589 2.781 1.00 0.00 C ATOM 700 C GLU A 47 -5.665 14.425 1.291 1.00 0.00 C ATOM 701 O GLU A 47 -4.512 14.445 0.862 1.00 0.00 O ATOM 702 CB GLU A 47 -5.010 15.639 3.378 1.00 0.00 C ATOM 703 CG GLU A 47 -5.434 16.123 4.754 1.00 0.00 C ATOM 704 CD GLU A 47 -6.517 17.183 4.692 1.00 0.00 C ATOM 705 OE1 GLU A 47 -6.225 18.302 4.219 1.00 0.00 O ATOM 706 OE2 GLU A 47 -7.655 16.894 5.115 1.00 0.00 O ATOM 0 H GLU A 47 -4.923 12.834 3.294 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.979 14.923 2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.006 15.221 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.957 16.493 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.793 15.276 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.566 16.526 5.277 1.00 0.00 H new ATOM 713 N ALA A 48 -6.726 14.262 0.506 1.00 0.00 N ATOM 714 CA ALA A 48 -6.592 14.096 -0.935 1.00 0.00 C ATOM 715 C ALA A 48 -5.982 15.338 -1.577 1.00 0.00 C ATOM 716 O ALA A 48 -6.687 16.302 -1.877 1.00 0.00 O ATOM 717 CB ALA A 48 -7.944 13.787 -1.559 1.00 0.00 C ATOM 0 H ALA A 48 -7.688 14.242 0.845 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.920 13.258 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.828 13.666 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.341 12.867 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.633 14.607 -1.358 1.00 0.00 H new ATOM 723 N ASP A 49 -4.670 15.308 -1.784 1.00 0.00 N ATOM 724 CA ASP A 49 -3.966 16.432 -2.390 1.00 0.00 C ATOM 725 C ASP A 49 -2.497 16.093 -2.619 1.00 0.00 C ATOM 726 O ASP A 49 -1.898 15.337 -1.855 1.00 0.00 O ATOM 727 CB ASP A 49 -4.084 17.673 -1.504 1.00 0.00 C ATOM 728 CG ASP A 49 -5.317 18.496 -1.821 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.480 18.893 -2.993 1.00 0.00 O ATOM 730 OD2 ASP A 49 -6.119 18.745 -0.896 1.00 0.00 O ATOM 0 H ASP A 49 -4.073 14.518 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.427 16.640 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.114 17.368 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.196 18.292 -1.630 1.00 0.00 H new ATOM 735 N ARG A 50 -1.923 16.657 -3.677 1.00 0.00 N ATOM 736 CA ARG A 50 -0.524 16.412 -4.009 1.00 0.00 C ATOM 737 C ARG A 50 0.389 16.845 -2.866 1.00 0.00 C ATOM 738 O ARG A 50 0.706 18.025 -2.724 1.00 0.00 O ATOM 739 CB ARG A 50 -0.144 17.156 -5.290 1.00 0.00 C ATOM 740 CG ARG A 50 -0.545 16.425 -6.561 1.00 0.00 C ATOM 741 CD ARG A 50 0.206 16.959 -7.771 1.00 0.00 C ATOM 742 NE ARG A 50 -0.505 18.060 -8.414 1.00 0.00 N ATOM 743 CZ ARG A 50 0.086 18.967 -9.184 1.00 0.00 C ATOM 744 NH1 ARG A 50 1.392 18.904 -9.405 1.00 0.00 N ATOM 745 NH2 ARG A 50 -0.629 19.940 -9.735 1.00 0.00 N ATOM 0 H ARG A 50 -2.405 17.287 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.396 15.341 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.615 18.139 -5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.934 17.319 -5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.345 15.360 -6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.618 16.532 -6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.196 17.297 -7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.354 16.154 -8.490 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.511 18.137 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.945 18.158 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.843 19.602 -9.997 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.634 19.992 -9.567 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.174 20.636 -10.326 1.00 0.00 H new ATOM 759 N GLY A 51 0.808 15.881 -2.051 1.00 0.00 N ATOM 760 CA GLY A 51 1.680 16.183 -0.931 1.00 0.00 C ATOM 761 C GLY A 51 0.978 16.041 0.405 1.00 0.00 C ATOM 762 O GLY A 51 1.600 16.170 1.458 1.00 0.00 O ATOM 0 H GLY A 51 0.559 14.897 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.543 15.518 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.058 17.200 -1.033 1.00 0.00 H new ATOM 766 N GLY A 52 -0.325 15.776 0.362 1.00 0.00 N ATOM 767 CA GLY A 52 -1.091 15.623 1.585 1.00 0.00 C ATOM 768 C GLY A 52 -0.616 14.455 2.425 1.00 0.00 C ATOM 769 O GLY A 52 0.157 13.618 1.957 1.00 0.00 O ATOM 0 H GLY A 52 -0.863 15.665 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.021 16.540 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.143 15.483 1.336 1.00 0.00 H new ATOM 773 N LYS A 53 -1.077 14.396 3.669 1.00 0.00 N ATOM 774 CA LYS A 53 -0.694 13.322 4.578 1.00 0.00 C ATOM 775 C LYS A 53 -1.887 12.424 4.892 1.00 0.00 C ATOM 776 O LYS A 53 -2.993 12.907 5.135 1.00 0.00 O ATOM 777 CB LYS A 53 -0.124 13.902 5.875 1.00 0.00 C ATOM 778 CG LYS A 53 1.378 14.124 5.833 1.00 0.00 C ATOM 779 CD LYS A 53 1.771 15.065 4.706 1.00 0.00 C ATOM 780 CE LYS A 53 3.160 15.645 4.923 1.00 0.00 C ATOM 781 NZ LYS A 53 4.227 14.724 4.445 1.00 0.00 N ATOM 0 H LYS A 53 -1.717 15.080 4.072 1.00 0.00 H new ATOM 0 HA LYS A 53 0.072 12.721 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.617 14.851 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.361 13.229 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.713 14.535 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.885 13.168 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.743 14.529 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.044 15.874 4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.241 16.598 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.306 15.850 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.139 15.005 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.001 13.751 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.287 14.771 3.408 1.00 0.00 H new ATOM 795 N PHE A 54 -1.654 11.116 4.885 1.00 0.00 N ATOM 796 CA PHE A 54 -2.710 10.151 5.169 1.00 0.00 C ATOM 797 C PHE A 54 -2.335 9.269 6.357 1.00 0.00 C ATOM 798 O PHE A 54 -1.340 8.545 6.318 1.00 0.00 O ATOM 799 CB PHE A 54 -2.979 9.281 3.940 1.00 0.00 C ATOM 800 CG PHE A 54 -1.922 8.242 3.697 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.991 7.006 4.319 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.859 8.502 2.847 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.020 6.047 4.097 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.115 7.548 2.621 1.00 0.00 C ATOM 805 CZ PHE A 54 0.035 6.319 3.248 1.00 0.00 C ATOM 0 H PHE A 54 -0.744 10.700 4.686 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.615 10.704 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.943 8.786 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.056 9.921 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.813 6.789 4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.791 9.461 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.086 5.087 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.938 7.763 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.796 5.573 3.074 1.00 0.00 H new ATOM 815 N HIS A 55 -3.140 9.337 7.414 1.00 0.00 N ATOM 816 CA HIS A 55 -2.894 8.545 8.614 1.00 0.00 C ATOM 817 C HIS A 55 -4.079 7.635 8.917 1.00 0.00 C ATOM 818 O HIS A 55 -5.230 8.070 8.896 1.00 0.00 O ATOM 819 CB HIS A 55 -2.621 9.461 9.807 1.00 0.00 C ATOM 820 CG HIS A 55 -1.618 8.907 10.772 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.031 7.669 10.618 1.00 0.00 N ATOM 822 CD2 HIS A 55 -1.098 9.430 11.907 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.194 7.454 11.617 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.216 8.507 12.413 1.00 0.00 N ATOM 0 H HIS A 55 -3.967 9.932 7.463 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.018 7.922 8.435 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.267 10.425 9.441 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.557 9.645 10.335 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.214 7.021 9.852 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.333 10.393 12.335 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.406 6.567 11.759 1.00 0.00 H new ATOM 833 N MET A 56 -3.790 6.368 9.197 1.00 0.00 N ATOM 834 CA MET A 56 -4.833 5.396 9.505 1.00 0.00 C ATOM 835 C MET A 56 -4.323 4.342 10.481 1.00 0.00 C ATOM 836 O MET A 56 -3.122 4.247 10.737 1.00 0.00 O ATOM 837 CB MET A 56 -5.328 4.724 8.222 1.00 0.00 C ATOM 838 CG MET A 56 -4.407 4.935 7.031 1.00 0.00 C ATOM 839 SD MET A 56 -5.162 4.434 5.473 1.00 0.00 S ATOM 840 CE MET A 56 -5.389 2.680 5.755 1.00 0.00 C ATOM 0 H MET A 56 -2.843 5.991 9.217 1.00 0.00 H new ATOM 0 HA MET A 56 -5.663 5.926 9.972 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.438 3.654 8.401 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.318 5.110 7.978 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.129 5.987 6.974 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.487 4.370 7.183 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.715 2.202 4.831 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.447 2.239 6.079 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.144 2.530 6.527 1.00 0.00 H new ATOM 850 N VAL A 57 -5.242 3.550 11.025 1.00 0.00 N ATOM 851 CA VAL A 57 -4.885 2.502 11.973 1.00 0.00 C ATOM 852 C VAL A 57 -4.470 3.093 13.315 1.00 0.00 C ATOM 853 O VAL A 57 -3.386 2.806 13.823 1.00 0.00 O ATOM 854 CB VAL A 57 -3.739 1.625 11.434 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.619 0.344 12.246 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.955 1.313 9.961 1.00 0.00 C ATOM 0 H VAL A 57 -6.240 3.615 10.825 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.772 1.884 12.111 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.805 2.178 11.532 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.804 -0.263 11.850 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.415 0.591 13.288 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.552 -0.216 12.182 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.136 0.693 9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.897 0.780 9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.986 2.243 9.393 1.00 0.00 H new ATOM 866 N ASP A 58 -5.340 3.919 13.886 1.00 0.00 N ATOM 867 CA ASP A 58 -5.065 4.550 15.171 1.00 0.00 C ATOM 868 C ASP A 58 -3.723 5.275 15.145 1.00 0.00 C ATOM 869 O ASP A 58 -3.037 5.370 16.161 1.00 0.00 O ATOM 870 CB ASP A 58 -5.072 3.505 16.288 1.00 0.00 C ATOM 871 CG ASP A 58 -6.246 2.552 16.182 1.00 0.00 C ATOM 872 OD1 ASP A 58 -6.176 1.614 15.362 1.00 0.00 O ATOM 873 OD2 ASP A 58 -7.236 2.746 16.919 1.00 0.00 O ATOM 0 H ASP A 58 -6.242 4.167 13.479 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.849 5.282 15.363 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.142 2.937 16.256 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.104 4.010 17.254 1.00 0.00 H new ATOM 878 N GLY A 59 -3.354 5.784 13.973 1.00 0.00 N ATOM 879 CA GLY A 59 -2.095 6.493 13.835 1.00 0.00 C ATOM 880 C GLY A 59 -0.900 5.560 13.844 1.00 0.00 C ATOM 881 O GLY A 59 0.062 5.780 14.577 1.00 0.00 O ATOM 0 H GLY A 59 -3.905 5.718 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.102 7.061 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.996 7.213 14.647 1.00 0.00 H new ATOM 885 N ASN A 60 -0.963 4.513 13.027 1.00 0.00 N ATOM 886 CA ASN A 60 0.121 3.541 12.946 1.00 0.00 C ATOM 887 C ASN A 60 0.766 3.561 11.563 1.00 0.00 C ATOM 888 O ASN A 60 1.902 3.120 11.390 1.00 0.00 O ATOM 889 CB ASN A 60 -0.400 2.137 13.258 1.00 0.00 C ATOM 890 CG ASN A 60 -0.302 1.799 14.733 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.678 1.203 15.180 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.321 2.178 15.495 1.00 0.00 N ATOM 0 H ASN A 60 -1.753 4.316 12.412 1.00 0.00 H new ATOM 0 HA ASN A 60 0.876 3.813 13.684 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.439 2.059 12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.167 1.406 12.682 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.312 1.977 16.495 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.113 2.670 15.080 1.00 0.00 H new ATOM 899 N VAL A 61 0.033 4.076 10.581 1.00 0.00 N ATOM 900 CA VAL A 61 0.533 4.156 9.214 1.00 0.00 C ATOM 901 C VAL A 61 0.329 5.551 8.634 1.00 0.00 C ATOM 902 O VAL A 61 -0.802 6.008 8.473 1.00 0.00 O ATOM 903 CB VAL A 61 -0.160 3.126 8.302 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.309 3.285 6.864 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.097 1.713 8.802 1.00 0.00 C ATOM 0 H VAL A 61 -0.910 4.444 10.707 1.00 0.00 H new ATOM 0 HA VAL A 61 1.600 3.936 9.254 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.235 3.307 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.191 2.549 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.068 4.288 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.387 3.132 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.400 0.999 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.169 1.518 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.294 1.608 9.814 1.00 0.00 H new ATOM 915 N SER A 62 1.433 6.223 8.322 1.00 0.00 N ATOM 916 CA SER A 62 1.376 7.569 7.763 1.00 0.00 C ATOM 917 C SER A 62 2.240 7.673 6.510 1.00 0.00 C ATOM 918 O SER A 62 3.222 6.948 6.357 1.00 0.00 O ATOM 919 CB SER A 62 1.835 8.595 8.800 1.00 0.00 C ATOM 920 OG SER A 62 3.122 8.274 9.299 1.00 0.00 O ATOM 0 H SER A 62 2.377 5.858 8.447 1.00 0.00 H new ATOM 0 HA SER A 62 0.342 7.779 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.853 9.588 8.351 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.121 8.630 9.623 1.00 0.00 H new ATOM 0 HG SER A 62 3.327 8.847 10.067 1.00 0.00 H new ATOM 926 N GLY A 63 1.865 8.582 5.614 1.00 0.00 N ATOM 927 CA GLY A 63 2.615 8.766 4.386 1.00 0.00 C ATOM 928 C GLY A 63 2.400 10.136 3.774 1.00 0.00 C ATOM 929 O GLY A 63 1.997 11.073 4.463 1.00 0.00 O ATOM 0 H GLY A 63 1.055 9.194 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.677 8.624 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.322 8.001 3.667 1.00 0.00 H new ATOM 933 N GLU A 64 2.671 10.253 2.478 1.00 0.00 N ATOM 934 CA GLU A 64 2.507 11.520 1.776 1.00 0.00 C ATOM 935 C GLU A 64 2.190 11.288 0.301 1.00 0.00 C ATOM 936 O GLU A 64 2.821 10.461 -0.358 1.00 0.00 O ATOM 937 CB GLU A 64 3.771 12.371 1.910 1.00 0.00 C ATOM 938 CG GLU A 64 4.782 12.138 0.799 1.00 0.00 C ATOM 939 CD GLU A 64 5.983 13.059 0.900 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.262 13.548 2.015 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.642 13.290 -0.134 1.00 0.00 O ATOM 0 H GLU A 64 3.005 9.487 1.894 1.00 0.00 H new ATOM 0 HA GLU A 64 1.671 12.052 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.490 13.424 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.242 12.158 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.120 11.102 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.296 12.285 -0.166 1.00 0.00 H new ATOM 948 N PHE A 65 1.209 12.023 -0.210 1.00 0.00 N ATOM 949 CA PHE A 65 0.806 11.897 -1.606 1.00 0.00 C ATOM 950 C PHE A 65 1.808 12.589 -2.526 1.00 0.00 C ATOM 951 O PHE A 65 2.068 13.786 -2.392 1.00 0.00 O ATOM 952 CB PHE A 65 -0.588 12.491 -1.813 1.00 0.00 C ATOM 953 CG PHE A 65 -1.696 11.604 -1.322 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.536 10.842 -0.176 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.899 11.531 -2.008 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.554 10.025 0.278 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.920 10.716 -1.557 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.747 9.962 -0.414 1.00 0.00 C ATOM 0 H PHE A 65 0.678 12.713 0.322 1.00 0.00 H new ATOM 0 HA PHE A 65 0.782 10.836 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.646 13.450 -1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.736 12.690 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.605 10.887 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.040 12.117 -2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.416 9.437 1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.853 10.669 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.544 9.324 -0.061 1.00 0.00 H new ATOM 968 N THR A 66 2.369 11.828 -3.460 1.00 0.00 N ATOM 969 CA THR A 66 3.344 12.367 -4.401 1.00 0.00 C ATOM 970 C THR A 66 2.716 12.599 -5.770 1.00 0.00 C ATOM 971 O THR A 66 3.036 13.571 -6.454 1.00 0.00 O ATOM 972 CB THR A 66 4.554 11.426 -4.557 1.00 0.00 C ATOM 973 OG1 THR A 66 4.107 10.096 -4.841 1.00 0.00 O ATOM 974 CG2 THR A 66 5.402 11.423 -3.294 1.00 0.00 C ATOM 0 H THR A 66 2.165 10.836 -3.585 1.00 0.00 H new ATOM 0 HA THR A 66 3.684 13.319 -3.994 1.00 0.00 H new ATOM 0 HB THR A 66 5.164 11.788 -5.385 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.140 10.102 -4.997 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.250 10.752 -3.427 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.765 12.432 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.799 11.083 -2.452 1.00 0.00 H new ATOM 982 N ASP A 67 1.819 11.701 -6.165 1.00 0.00 N ATOM 983 CA ASP A 67 1.145 11.810 -7.453 1.00 0.00 C ATOM 984 C ASP A 67 -0.318 11.393 -7.337 1.00 0.00 C ATOM 985 O ASP A 67 -0.654 10.463 -6.602 1.00 0.00 O ATOM 986 CB ASP A 67 1.852 10.945 -8.498 1.00 0.00 C ATOM 987 CG ASP A 67 1.723 11.509 -9.899 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.580 11.768 -10.331 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.764 11.690 -10.565 1.00 0.00 O ATOM 0 H ASP A 67 1.542 10.890 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 67 1.184 12.853 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.907 10.859 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.435 9.938 -8.475 1.00 0.00 H new ATOM 994 N LEU A 68 -1.185 12.088 -8.065 1.00 0.00 N ATOM 995 CA LEU A 68 -2.614 11.791 -8.044 1.00 0.00 C ATOM 996 C LEU A 68 -3.231 11.985 -9.425 1.00 0.00 C ATOM 997 O LEU A 68 -3.339 13.108 -9.916 1.00 0.00 O ATOM 998 CB LEU A 68 -3.324 12.684 -7.025 1.00 0.00 C ATOM 999 CG LEU A 68 -2.937 12.472 -5.561 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.408 13.641 -4.710 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.515 11.164 -5.040 1.00 0.00 C ATOM 0 H LEU A 68 -0.924 12.861 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.740 10.748 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.128 13.724 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.398 12.528 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.850 12.417 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.124 13.473 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.946 14.561 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.492 13.728 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.229 11.030 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.602 11.190 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.128 10.334 -5.632 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.637 10.881 -10.046 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.247 10.930 -11.369 1.00 0.00 C ATOM 1015 C VAL A 69 -5.726 10.564 -11.306 1.00 0.00 C ATOM 1016 O VAL A 69 -6.134 9.646 -10.595 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.536 9.979 -12.350 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.063 10.177 -13.763 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.031 10.190 -12.299 1.00 0.00 C ATOM 0 H VAL A 69 -3.554 9.943 -9.654 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.144 11.954 -11.728 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.746 8.952 -12.051 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.549 9.497 -14.442 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.133 9.971 -13.784 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.885 11.206 -14.077 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.544 9.510 -12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.798 11.219 -12.572 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.670 9.992 -11.290 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.550 11.299 -12.067 1.00 0.00 N ATOM 1030 CA PRO A 70 -7.997 11.070 -12.117 1.00 0.00 C ATOM 1031 C PRO A 70 -8.345 9.598 -12.312 1.00 0.00 C ATOM 1032 O PRO A 70 -8.049 9.015 -13.354 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.445 11.891 -13.328 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.424 12.967 -13.456 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.133 12.409 -12.940 1.00 0.00 C ATOM 0 HA PRO A 70 -8.487 11.356 -11.186 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.488 11.277 -14.228 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.441 12.307 -13.178 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.321 13.279 -14.495 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.719 13.848 -12.886 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.496 12.060 -13.752 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.566 13.159 -12.389 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.975 9.005 -11.303 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.363 7.600 -11.365 1.00 0.00 C ATOM 1045 C GLU A 71 -8.426 6.818 -12.281 1.00 0.00 C ATOM 1046 O GLU A 71 -8.871 6.074 -13.156 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.805 7.468 -11.859 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.793 8.328 -11.089 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.179 8.317 -11.705 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.471 7.394 -12.494 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.972 9.231 -11.397 1.00 0.00 O ATOM 0 H GLU A 71 -9.228 9.475 -10.434 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.292 7.184 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.845 7.739 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.111 6.424 -11.786 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.854 7.973 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.424 9.353 -11.051 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.125 6.991 -12.074 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.123 6.302 -12.879 1.00 0.00 C ATOM 1060 C LYS A 72 -5.120 5.572 -11.992 1.00 0.00 C ATOM 1061 O LYS A 72 -4.976 4.352 -12.073 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.392 7.297 -13.783 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.207 7.739 -14.986 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.808 6.979 -16.239 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.445 7.420 -16.749 1.00 0.00 C ATOM 1066 NZ LYS A 72 -4.531 8.669 -17.555 1.00 0.00 N ATOM 0 H LYS A 72 -6.739 7.603 -11.355 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.635 5.566 -13.499 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.119 8.175 -13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.463 6.845 -14.130 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.267 7.582 -14.786 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.068 8.808 -15.148 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.790 5.910 -16.027 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.557 7.137 -17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.775 7.579 -15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.010 6.626 -17.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.581 8.936 -17.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.150 8.511 -18.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.922 9.434 -16.969 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.429 6.327 -11.143 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.440 5.752 -10.239 1.00 0.00 C ATOM 1082 C HIS A 73 -3.104 6.723 -9.112 1.00 0.00 C ATOM 1083 O HIS A 73 -3.391 7.917 -9.203 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.170 5.383 -11.006 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.073 6.395 -10.870 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.120 7.745 -10.787 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.261 6.054 -10.809 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.174 8.191 -10.676 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 0.988 7.151 -10.691 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.536 7.338 -11.063 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.866 4.849 -9.801 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.809 4.418 -10.651 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.414 5.264 -12.062 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.651 5.048 -10.851 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.477 9.224 -10.590 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.005 7.188 -10.623 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.496 6.204 -8.051 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.121 7.026 -6.907 1.00 0.00 C ATOM 1100 C ILE A 74 -0.738 6.647 -6.387 1.00 0.00 C ATOM 1101 O ILE A 74 -0.456 5.476 -6.137 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.141 6.894 -5.760 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.524 7.359 -6.223 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.685 7.695 -4.550 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.642 6.954 -5.287 1.00 0.00 C ATOM 0 H ILE A 74 -2.252 5.218 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.106 8.060 -7.253 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.208 5.845 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.519 8.444 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.724 6.949 -7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.416 7.591 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.719 7.322 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.593 8.746 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.593 7.317 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.674 5.867 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.466 7.386 -4.302 1.00 0.00 H new ATOM 1117 N VAL A 75 0.121 7.648 -6.226 1.00 0.00 N ATOM 1118 CA VAL A 75 1.475 7.422 -5.733 1.00 0.00 C ATOM 1119 C VAL A 75 1.718 8.173 -4.429 1.00 0.00 C ATOM 1120 O VAL A 75 1.626 9.399 -4.381 1.00 0.00 O ATOM 1121 CB VAL A 75 2.529 7.858 -6.768 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.905 7.337 -6.380 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.140 7.378 -8.158 1.00 0.00 C ATOM 0 H VAL A 75 -0.096 8.624 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 75 1.572 6.351 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 75 2.570 8.947 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.637 7.655 -7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.183 7.734 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.883 6.248 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.896 7.695 -8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.070 6.290 -8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.176 7.805 -8.434 1.00 0.00 H new ATOM 1133 N MET A 76 2.029 7.429 -3.373 1.00 0.00 N ATOM 1134 CA MET A 76 2.287 8.025 -2.067 1.00 0.00 C ATOM 1135 C MET A 76 3.257 7.168 -1.260 1.00 0.00 C ATOM 1136 O MET A 76 3.654 6.086 -1.694 1.00 0.00 O ATOM 1137 CB MET A 76 0.978 8.199 -1.294 1.00 0.00 C ATOM 1138 CG MET A 76 0.447 6.906 -0.699 1.00 0.00 C ATOM 1139 SD MET A 76 -1.334 6.949 -0.420 1.00 0.00 S ATOM 1140 CE MET A 76 -1.784 5.268 -0.843 1.00 0.00 C ATOM 0 H MET A 76 2.109 6.412 -3.396 1.00 0.00 H new ATOM 0 HA MET A 76 2.740 9.004 -2.226 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.132 8.922 -0.493 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.225 8.619 -1.961 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.686 6.078 -1.367 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.954 6.710 0.246 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.859 5.137 -0.720 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.510 5.068 -1.879 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.257 4.574 -0.188 1.00 0.00 H new ATOM 1150 N LYS A 77 3.635 7.658 -0.085 1.00 0.00 N ATOM 1151 CA LYS A 77 4.558 6.937 0.784 1.00 0.00 C ATOM 1152 C LYS A 77 3.800 6.113 1.819 1.00 0.00 C ATOM 1153 O LYS A 77 2.667 6.438 2.176 1.00 0.00 O ATOM 1154 CB LYS A 77 5.499 7.918 1.488 1.00 0.00 C ATOM 1155 CG LYS A 77 6.610 8.442 0.595 1.00 0.00 C ATOM 1156 CD LYS A 77 7.695 9.136 1.402 1.00 0.00 C ATOM 1157 CE LYS A 77 7.408 10.621 1.560 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.580 11.357 2.110 1.00 0.00 N ATOM 0 H LYS A 77 3.316 8.552 0.288 1.00 0.00 H new ATOM 0 HA LYS A 77 5.146 6.259 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.918 8.760 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.942 7.426 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.046 7.616 0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.195 9.139 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.771 8.672 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.658 9.001 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.135 11.043 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.551 10.757 2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.344 12.366 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.825 10.971 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.391 11.249 1.468 1.00 0.00 H new ATOM 1172 N TRP A 78 4.431 5.047 2.297 1.00 0.00 N ATOM 1173 CA TRP A 78 3.815 4.176 3.293 1.00 0.00 C ATOM 1174 C TRP A 78 4.849 3.684 4.299 1.00 0.00 C ATOM 1175 O TRP A 78 5.916 3.202 3.921 1.00 0.00 O ATOM 1176 CB TRP A 78 3.141 2.985 2.611 1.00 0.00 C ATOM 1177 CG TRP A 78 2.049 2.369 3.434 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.704 2.527 3.259 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.211 1.501 4.560 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.020 1.808 4.210 1.00 0.00 N ATOM 1181 CE2 TRP A 78 0.922 1.169 5.019 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.320 0.969 5.224 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.713 0.332 6.112 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.112 0.139 6.309 1.00 0.00 C ATOM 1185 CH2 TRP A 78 1.817 -0.174 6.744 1.00 0.00 C ATOM 0 H TRP A 78 5.369 4.764 2.012 1.00 0.00 H new ATOM 0 HA TRP A 78 3.061 4.753 3.828 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.728 3.309 1.656 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.893 2.227 2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.246 3.128 2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.995 1.758 4.299 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.322 1.203 4.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.284 0.091 6.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 3.962 -0.276 6.831 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.687 -0.827 7.594 1.00 0.00 H new ATOM 1196 N ARG A 79 4.525 3.808 5.582 1.00 0.00 N ATOM 1197 CA ARG A 79 5.427 3.376 6.643 1.00 0.00 C ATOM 1198 C ARG A 79 4.660 3.113 7.935 1.00 0.00 C ATOM 1199 O ARG A 79 3.515 3.540 8.088 1.00 0.00 O ATOM 1200 CB ARG A 79 6.507 4.433 6.885 1.00 0.00 C ATOM 1201 CG ARG A 79 6.082 5.529 7.848 1.00 0.00 C ATOM 1202 CD ARG A 79 7.266 6.070 8.634 1.00 0.00 C ATOM 1203 NE ARG A 79 6.937 6.282 10.041 1.00 0.00 N ATOM 1204 CZ ARG A 79 6.256 7.332 10.487 1.00 0.00 C ATOM 1205 NH1 ARG A 79 5.833 8.260 9.640 1.00 0.00 N ATOM 1206 NH2 ARG A 79 5.997 7.454 11.783 1.00 0.00 N ATOM 0 H ARG A 79 3.645 4.204 5.912 1.00 0.00 H new ATOM 0 HA ARG A 79 5.901 2.447 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.400 3.945 7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.781 4.885 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.611 6.340 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.334 5.139 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.101 5.373 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.595 7.011 8.193 1.00 0.00 H new ATOM 0 HE ARG A 79 7.247 5.586 10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.030 8.169 8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.310 9.065 9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.321 6.741 12.437 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.474 8.260 12.125 1.00 0.00 H new ATOM 1220 N PHE A 80 5.298 2.406 8.862 1.00 0.00 N ATOM 1221 CA PHE A 80 4.675 2.083 10.141 1.00 0.00 C ATOM 1222 C PHE A 80 5.111 3.069 11.222 1.00 0.00 C ATOM 1223 O PHE A 80 6.172 3.685 11.125 1.00 0.00 O ATOM 1224 CB PHE A 80 5.033 0.656 10.561 1.00 0.00 C ATOM 1225 CG PHE A 80 4.009 -0.364 10.154 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.657 -0.114 10.326 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.398 -1.572 9.599 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.712 -1.051 9.951 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.458 -2.512 9.222 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.113 -2.252 9.400 1.00 0.00 C ATOM 0 H PHE A 80 6.246 2.046 8.752 1.00 0.00 H new ATOM 0 HA PHE A 80 3.594 2.158 10.020 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.995 0.388 10.124 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.155 0.624 11.644 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.338 0.823 10.758 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.448 -1.782 9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.661 -0.844 10.089 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.775 -3.449 8.789 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.377 -2.986 9.109 1.00 0.00 H new ATOM 1240 N LYS A 81 4.282 3.213 12.251 1.00 0.00 N ATOM 1241 CA LYS A 81 4.580 4.122 13.351 1.00 0.00 C ATOM 1242 C LYS A 81 5.778 3.629 14.156 1.00 0.00 C ATOM 1243 O LYS A 81 6.219 4.287 15.098 1.00 0.00 O ATOM 1244 CB LYS A 81 3.361 4.264 14.266 1.00 0.00 C ATOM 1245 CG LYS A 81 3.661 4.979 15.572 1.00 0.00 C ATOM 1246 CD LYS A 81 4.014 3.998 16.677 1.00 0.00 C ATOM 1247 CE LYS A 81 2.776 3.303 17.222 1.00 0.00 C ATOM 1248 NZ LYS A 81 1.965 4.208 18.082 1.00 0.00 N ATOM 0 H LYS A 81 3.399 2.712 12.346 1.00 0.00 H new ATOM 0 HA LYS A 81 4.826 5.096 12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.580 4.808 13.735 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.965 3.273 14.487 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.487 5.675 15.425 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.795 5.570 15.872 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.712 3.253 16.294 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.522 4.525 17.485 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.165 2.946 16.393 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.075 2.427 17.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.239 3.655 18.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.584 4.674 18.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.505 4.929 17.490 1.00 0.00 H new ATOM 1262 N SER A 82 6.302 2.467 13.777 1.00 0.00 N ATOM 1263 CA SER A 82 7.448 1.885 14.465 1.00 0.00 C ATOM 1264 C SER A 82 8.674 1.865 13.557 1.00 0.00 C ATOM 1265 O SER A 82 9.807 1.773 14.028 1.00 0.00 O ATOM 1266 CB SER A 82 7.122 0.465 14.932 1.00 0.00 C ATOM 1267 OG SER A 82 8.032 0.035 15.930 1.00 0.00 O ATOM 0 H SER A 82 5.951 1.911 12.997 1.00 0.00 H new ATOM 0 HA SER A 82 7.671 2.504 15.334 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.105 0.432 15.324 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.159 -0.218 14.083 1.00 0.00 H new ATOM 0 HG SER A 82 7.801 -0.875 16.213 1.00 0.00 H new ATOM 1273 N TRP A 83 8.438 1.951 12.253 1.00 0.00 N ATOM 1274 CA TRP A 83 9.522 1.943 11.278 1.00 0.00 C ATOM 1275 C TRP A 83 10.555 3.016 11.603 1.00 0.00 C ATOM 1276 O TRP A 83 10.282 3.976 12.325 1.00 0.00 O ATOM 1277 CB TRP A 83 8.969 2.161 9.868 1.00 0.00 C ATOM 1278 CG TRP A 83 8.477 0.901 9.222 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.195 -0.282 9.843 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.209 0.700 7.830 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.769 -1.207 8.921 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.768 -0.629 7.679 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.298 1.513 6.697 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.419 -1.161 6.440 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.951 0.984 5.469 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.515 -0.342 5.348 1.00 0.00 C ATOM 0 H TRP A 83 7.506 2.027 11.846 1.00 0.00 H new ATOM 0 HA TRP A 83 10.010 0.970 11.323 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.152 2.881 9.913 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.747 2.601 9.244 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.293 -0.464 10.903 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.497 -2.168 9.128 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.632 2.537 6.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.085 -2.183 6.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.017 1.603 4.587 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.249 -0.725 4.374 1.00 0.00 H new ATOM 1333 N HIS A 87 12.209 6.792 6.808 1.00 0.00 N ATOM 1334 CA HIS A 87 12.151 5.544 6.054 1.00 0.00 C ATOM 1335 C HIS A 87 10.722 5.243 5.612 1.00 0.00 C ATOM 1336 O HIS A 87 9.897 4.793 6.408 1.00 0.00 O ATOM 1337 CB HIS A 87 12.691 4.389 6.896 1.00 0.00 C ATOM 1338 CG HIS A 87 13.139 3.213 6.083 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.463 2.949 5.807 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.428 2.227 5.487 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.548 1.853 5.075 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.327 1.395 4.867 1.00 0.00 N ATOM 0 HA HIS A 87 12.772 5.656 5.165 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.529 4.747 7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.918 4.065 7.592 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.354 2.116 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.461 1.407 4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 87 13.090 0.559 4.333 1.00 0.00 H new ATOM 1351 N PHE A 88 10.435 5.494 4.339 1.00 0.00 N ATOM 1352 CA PHE A 88 9.106 5.251 3.792 1.00 0.00 C ATOM 1353 C PHE A 88 9.182 4.372 2.547 1.00 0.00 C ATOM 1354 O PHE A 88 10.255 4.177 1.977 1.00 0.00 O ATOM 1355 CB PHE A 88 8.420 6.576 3.454 1.00 0.00 C ATOM 1356 CG PHE A 88 8.103 7.412 4.661 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.103 8.109 5.319 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.805 7.501 5.137 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.815 8.880 6.430 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.510 8.270 6.246 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.517 8.960 6.895 1.00 0.00 C ATOM 0 H PHE A 88 11.106 5.866 3.667 1.00 0.00 H new ATOM 0 HA PHE A 88 8.519 4.729 4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.062 7.148 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.497 6.370 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.120 8.049 4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.014 6.963 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.604 9.419 6.933 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.494 8.332 6.606 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.289 9.560 7.764 1.00 0.00 H new ATOM 1371 N ALA A 89 8.035 3.845 2.131 1.00 0.00 N ATOM 1372 CA ALA A 89 7.971 2.988 0.954 1.00 0.00 C ATOM 1373 C ALA A 89 7.128 3.627 -0.145 1.00 0.00 C ATOM 1374 O ALA A 89 6.016 4.096 0.104 1.00 0.00 O ATOM 1375 CB ALA A 89 7.411 1.623 1.324 1.00 0.00 C ATOM 0 H ALA A 89 7.138 3.997 2.592 1.00 0.00 H new ATOM 0 HA ALA A 89 8.984 2.861 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.369 0.994 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.054 1.156 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.408 1.740 1.733 1.00 0.00 H new ATOM 1381 N THR A 90 7.664 3.645 -1.361 1.00 0.00 N ATOM 1382 CA THR A 90 6.962 4.229 -2.497 1.00 0.00 C ATOM 1383 C THR A 90 5.859 3.303 -2.997 1.00 0.00 C ATOM 1384 O THR A 90 6.133 2.278 -3.623 1.00 0.00 O ATOM 1385 CB THR A 90 7.928 4.532 -3.659 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.078 5.230 -3.170 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.240 5.364 -4.731 1.00 0.00 C ATOM 0 H THR A 90 8.582 3.262 -1.585 1.00 0.00 H new ATOM 0 HA THR A 90 6.519 5.162 -2.149 1.00 0.00 H new ATOM 0 HB THR A 90 8.239 3.585 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.688 5.417 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.941 5.566 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.382 4.817 -5.121 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.903 6.307 -4.300 1.00 0.00 H new ATOM 1395 N ILE A 91 4.613 3.670 -2.718 1.00 0.00 N ATOM 1396 CA ILE A 91 3.469 2.872 -3.141 1.00 0.00 C ATOM 1397 C ILE A 91 2.715 3.553 -4.278 1.00 0.00 C ATOM 1398 O ILE A 91 2.343 4.722 -4.179 1.00 0.00 O ATOM 1399 CB ILE A 91 2.497 2.619 -1.974 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.060 1.550 -1.035 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.132 2.201 -2.503 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.317 1.983 -0.312 1.00 0.00 C ATOM 0 H ILE A 91 4.370 4.515 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 91 3.862 1.917 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 91 2.380 3.545 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.300 1.287 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.273 0.649 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.456 2.026 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.729 2.992 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.233 1.286 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.660 1.176 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.093 2.218 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.104 2.866 0.290 1.00 0.00 H new ATOM 1414 N THR A 92 2.490 2.812 -5.359 1.00 0.00 N ATOM 1415 CA THR A 92 1.780 3.343 -6.515 1.00 0.00 C ATOM 1416 C THR A 92 0.600 2.453 -6.892 1.00 0.00 C ATOM 1417 O THR A 92 0.770 1.419 -7.539 1.00 0.00 O ATOM 1418 CB THR A 92 2.712 3.481 -7.733 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.682 4.507 -7.493 1.00 0.00 O ATOM 1420 CG2 THR A 92 1.919 3.810 -8.988 1.00 0.00 C ATOM 0 H THR A 92 2.790 1.842 -5.457 1.00 0.00 H new ATOM 0 HA THR A 92 1.413 4.330 -6.234 1.00 0.00 H new ATOM 0 HB THR A 92 3.220 2.528 -7.884 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.272 4.588 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.599 3.902 -9.835 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.202 3.013 -9.184 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.387 4.751 -8.846 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.596 2.862 -6.484 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.806 2.102 -6.779 1.00 0.00 C ATOM 1430 C LEU A 93 -2.350 2.458 -8.159 1.00 0.00 C ATOM 1431 O LEU A 93 -2.136 3.565 -8.656 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.872 2.367 -5.714 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.595 1.783 -4.328 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.448 2.477 -3.277 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.851 0.283 -4.321 1.00 0.00 C ATOM 0 H LEU A 93 -0.754 3.715 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.550 1.042 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.997 3.445 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.821 1.968 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.546 1.953 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.238 2.049 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.216 3.542 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.503 2.338 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.649 -0.116 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.891 0.090 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.197 -0.201 -5.046 1.00 0.00 H new ATOM 1447 N THR A 94 -3.057 1.515 -8.773 1.00 0.00 N ATOM 1448 CA THR A 94 -3.633 1.729 -10.094 1.00 0.00 C ATOM 1449 C THR A 94 -5.029 1.124 -10.191 1.00 0.00 C ATOM 1450 O THR A 94 -5.232 -0.047 -9.872 1.00 0.00 O ATOM 1451 CB THR A 94 -2.746 1.124 -11.199 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.364 1.309 -10.874 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.046 1.764 -12.546 1.00 0.00 C ATOM 0 H THR A 94 -3.245 0.594 -8.376 1.00 0.00 H new ATOM 0 HA THR A 94 -3.697 2.807 -10.239 1.00 0.00 H new ATOM 0 HB THR A 94 -2.964 0.058 -11.265 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.807 0.920 -11.580 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.407 1.320 -13.310 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.091 1.595 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.854 2.836 -12.490 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.988 1.930 -10.633 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.366 1.474 -10.771 1.00 0.00 C ATOM 1463 C PHE A 95 -7.672 1.097 -12.218 1.00 0.00 C ATOM 1464 O PHE A 95 -7.553 1.923 -13.124 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.335 2.560 -10.300 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.072 3.030 -8.898 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.954 3.795 -8.608 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.944 2.707 -7.870 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.710 4.228 -7.318 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.704 3.138 -6.578 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.587 3.900 -6.302 1.00 0.00 C ATOM 0 H PHE A 95 -5.836 2.902 -10.902 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.493 0.588 -10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.272 3.411 -10.978 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.354 2.178 -10.362 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.266 4.056 -9.398 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.821 2.112 -8.080 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.834 4.823 -7.104 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.390 2.878 -5.786 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.399 4.239 -5.294 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.065 -0.155 -12.426 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.389 -0.641 -13.762 1.00 0.00 C ATOM 1483 C ILE A 96 -9.877 -0.946 -13.891 1.00 0.00 C ATOM 1484 O ILE A 96 -10.526 -1.343 -12.923 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.585 -1.908 -14.110 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.089 -1.663 -13.900 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.862 -2.334 -15.544 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.272 -2.934 -13.834 1.00 0.00 C ATOM 0 H ILE A 96 -8.167 -0.851 -11.687 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.122 0.153 -14.460 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.899 -2.713 -13.446 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.713 -1.041 -14.713 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.947 -1.101 -12.977 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.287 -3.231 -15.775 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.925 -2.545 -15.662 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.573 -1.533 -16.224 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.222 -2.684 -13.684 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.621 -3.548 -13.004 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.384 -3.487 -14.767 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.412 -0.759 -15.092 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.824 -1.016 -15.350 1.00 0.00 C ATOM 1502 C ASP A 97 -12.022 -2.401 -15.958 1.00 0.00 C ATOM 1503 O ASP A 97 -11.346 -2.772 -16.918 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.397 0.051 -16.283 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.668 -0.406 -16.973 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.671 -0.647 -16.270 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.658 -0.523 -18.217 1.00 0.00 O ATOM 0 H ASP A 97 -9.889 -0.430 -15.903 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.354 -0.977 -14.399 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.602 0.957 -15.712 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.652 0.310 -17.035 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.952 -3.163 -15.392 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.240 -4.507 -15.878 1.00 0.00 C ATOM 1514 C LYS A 98 -14.729 -4.675 -16.165 1.00 0.00 C ATOM 1515 O LYS A 98 -15.214 -5.791 -16.343 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.787 -5.550 -14.853 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.352 -5.365 -14.391 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.381 -6.141 -15.264 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.147 -6.567 -14.483 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.166 -7.285 -15.343 1.00 0.00 N ATOM 0 H LYS A 98 -13.519 -2.872 -14.596 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.690 -4.656 -16.807 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.447 -5.507 -13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.895 -6.544 -15.287 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.096 -4.306 -14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.256 -5.695 -13.357 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.879 -7.022 -15.669 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.081 -5.526 -16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.672 -5.688 -14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.445 -7.212 -13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.340 -7.558 -14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.611 -8.138 -15.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.862 -6.661 -16.118 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.448 -3.558 -16.209 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.881 -3.582 -16.476 1.00 0.00 C ATOM 1536 C ASN A 99 -17.647 -4.144 -15.282 1.00 0.00 C ATOM 1537 O ASN A 99 -18.463 -5.054 -15.428 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.175 -4.416 -17.724 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.390 -3.915 -18.481 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.264 -3.218 -19.488 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.575 -4.270 -17.999 1.00 0.00 N ATOM 0 H ASN A 99 -15.062 -2.625 -16.063 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.211 -2.557 -16.647 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.307 -4.398 -18.383 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.334 -5.455 -17.434 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.428 -3.964 -18.467 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.632 -4.849 -17.161 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.379 -3.595 -14.101 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.051 -4.054 -12.900 1.00 0.00 C ATOM 1550 C GLY A 100 -17.110 -4.173 -11.718 1.00 0.00 C ATOM 1551 O GLY A 100 -17.497 -3.911 -10.580 1.00 0.00 O ATOM 0 H GLY A 100 -16.708 -2.840 -13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.856 -3.363 -12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.511 -5.023 -13.093 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.870 -4.571 -11.989 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.872 -4.727 -10.937 1.00 0.00 C ATOM 1557 C GLU A 101 -13.629 -3.895 -11.240 1.00 0.00 C ATOM 1558 O GLU A 101 -13.341 -3.584 -12.396 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.488 -6.199 -10.781 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.680 -7.141 -10.772 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.301 -8.559 -10.390 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.509 -8.725 -9.438 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.794 -9.502 -11.043 1.00 0.00 O ATOM 0 H GLU A 101 -15.533 -4.791 -12.926 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.308 -4.372 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.820 -6.480 -11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.930 -6.324 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.428 -6.768 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.142 -7.146 -11.759 1.00 0.00 H new ATOM 1570 N THR A 102 -12.895 -3.536 -10.191 1.00 0.00 N ATOM 1571 CA THR A 102 -11.684 -2.739 -10.343 1.00 0.00 C ATOM 1572 C THR A 102 -10.460 -3.497 -9.842 1.00 0.00 C ATOM 1573 O THR A 102 -10.415 -3.928 -8.690 1.00 0.00 O ATOM 1574 CB THR A 102 -11.792 -1.403 -9.585 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.826 -0.596 -10.159 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.471 -0.648 -9.626 1.00 0.00 C ATOM 0 H THR A 102 -13.118 -3.785 -9.227 1.00 0.00 H new ATOM 0 HA THR A 102 -11.571 -2.536 -11.408 1.00 0.00 H new ATOM 0 HB THR A 102 -12.036 -1.620 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.699 -1.000 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.572 0.292 -9.084 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.692 -1.252 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.201 -0.442 -10.662 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.470 -3.656 -10.714 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.245 -4.363 -10.358 1.00 0.00 C ATOM 1586 C GLU A 103 -7.191 -3.394 -9.830 1.00 0.00 C ATOM 1587 O GLU A 103 -6.545 -2.682 -10.600 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.696 -5.120 -11.569 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.539 -6.046 -11.234 1.00 0.00 C ATOM 1590 CD GLU A 103 -7.001 -7.397 -10.723 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -7.462 -8.216 -11.546 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -6.901 -7.635 -9.502 1.00 0.00 O ATOM 0 H GLU A 103 -9.492 -3.305 -11.672 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.484 -5.077 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.500 -5.704 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.369 -4.400 -12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.924 -6.189 -12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.907 -5.574 -10.482 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.023 -3.372 -8.513 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.048 -2.490 -7.880 1.00 0.00 C ATOM 1601 C LEU A 104 -4.662 -3.127 -7.874 1.00 0.00 C ATOM 1602 O LEU A 104 -4.422 -4.109 -7.170 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.479 -2.164 -6.449 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.559 -1.224 -5.669 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.673 0.197 -6.200 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.888 -1.267 -4.184 1.00 0.00 C ATOM 0 H LEU A 104 -7.549 -3.955 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.001 -1.567 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.474 -1.721 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.565 -3.099 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.531 -1.559 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.011 0.852 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.388 0.216 -7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.701 0.543 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.224 -0.592 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.922 -0.957 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.755 -2.282 -3.811 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.753 -2.560 -8.659 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.389 -3.071 -8.742 1.00 0.00 C ATOM 1620 C CYS A 105 -1.448 -2.257 -7.860 1.00 0.00 C ATOM 1621 O CYS A 105 -0.917 -1.231 -8.284 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.900 -3.044 -10.191 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.342 -3.922 -10.461 1.00 0.00 S ATOM 0 H CYS A 105 -3.935 -1.747 -9.247 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.391 -4.101 -8.385 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.667 -3.482 -10.830 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.779 -2.007 -10.503 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.012 -3.845 -11.716 1.00 0.00 H new ATOM 1629 N MET A 106 -1.249 -2.720 -6.631 1.00 0.00 N ATOM 1630 CA MET A 106 -0.372 -2.034 -5.689 1.00 0.00 C ATOM 1631 C MET A 106 1.090 -2.375 -5.960 1.00 0.00 C ATOM 1632 O MET A 106 1.453 -3.546 -6.070 1.00 0.00 O ATOM 1633 CB MET A 106 -0.738 -2.411 -4.252 1.00 0.00 C ATOM 1634 CG MET A 106 0.001 -1.595 -3.203 1.00 0.00 C ATOM 1635 SD MET A 106 1.738 -2.056 -3.062 1.00 0.00 S ATOM 1636 CE MET A 106 1.880 -2.305 -1.294 1.00 0.00 C ATOM 0 H MET A 106 -1.683 -3.567 -6.264 1.00 0.00 H new ATOM 0 HA MET A 106 -0.507 -0.960 -5.821 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.811 -2.280 -4.113 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.523 -3.468 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.071 -0.537 -3.454 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.486 -1.727 -2.237 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.870 -2.698 -1.060 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.736 -1.355 -0.780 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.121 -3.014 -0.964 1.00 0.00 H new ATOM 1646 N GLU A 107 1.923 -1.345 -6.066 1.00 0.00 N ATOM 1647 CA GLU A 107 3.345 -1.537 -6.325 1.00 0.00 C ATOM 1648 C GLU A 107 4.192 -0.773 -5.311 1.00 0.00 C ATOM 1649 O GLU A 107 4.421 0.427 -5.456 1.00 0.00 O ATOM 1650 CB GLU A 107 3.694 -1.081 -7.743 1.00 0.00 C ATOM 1651 CG GLU A 107 4.935 -1.750 -8.310 1.00 0.00 C ATOM 1652 CD GLU A 107 5.612 -0.914 -9.379 1.00 0.00 C ATOM 1653 OE1 GLU A 107 5.587 0.329 -9.265 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.167 -1.505 -10.330 1.00 0.00 O ATOM 0 H GLU A 107 1.638 -0.370 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 107 3.565 -2.600 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.849 -1.286 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.842 -0.001 -7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.641 -1.941 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.662 -2.718 -8.730 1.00 0.00 H new ATOM 1661 N GLY A 108 4.653 -1.479 -4.282 1.00 0.00 N ATOM 1662 CA GLY A 108 5.467 -0.852 -3.258 1.00 0.00 C ATOM 1663 C GLY A 108 6.918 -1.285 -3.325 1.00 0.00 C ATOM 1664 O GLY A 108 7.212 -2.465 -3.515 1.00 0.00 O ATOM 0 H GLY A 108 4.477 -2.474 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.409 0.231 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.063 -1.098 -2.276 1.00 0.00 H new ATOM 1668 N ARG A 109 7.828 -0.328 -3.171 1.00 0.00 N ATOM 1669 CA ARG A 109 9.256 -0.617 -3.218 1.00 0.00 C ATOM 1670 C ARG A 109 10.012 0.208 -2.181 1.00 0.00 C ATOM 1671 O ARG A 109 10.069 1.434 -2.270 1.00 0.00 O ATOM 1672 CB ARG A 109 9.810 -0.332 -4.615 1.00 0.00 C ATOM 1673 CG ARG A 109 9.510 1.072 -5.114 1.00 0.00 C ATOM 1674 CD ARG A 109 9.435 1.119 -6.632 1.00 0.00 C ATOM 1675 NE ARG A 109 10.758 1.195 -7.244 1.00 0.00 N ATOM 1676 CZ ARG A 109 10.981 1.689 -8.457 1.00 0.00 C ATOM 1677 NH1 ARG A 109 9.972 2.148 -9.184 1.00 0.00 N ATOM 1678 NH2 ARG A 109 12.214 1.724 -8.945 1.00 0.00 N ATOM 0 H ARG A 109 7.601 0.654 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 109 9.395 -1.673 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.890 -0.482 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.393 -1.055 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.566 1.416 -4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.283 1.756 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.918 0.232 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.844 1.982 -6.939 1.00 0.00 H new ATOM 0 HE ARG A 109 11.556 0.850 -6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.022 2.122 -8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.145 2.527 -10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.993 1.371 -8.389 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.383 2.104 -9.876 1.00 0.00 H new ATOM 1692 N GLY A 110 10.591 -0.473 -1.197 1.00 0.00 N ATOM 1693 CA GLY A 110 11.336 0.213 -0.157 1.00 0.00 C ATOM 1694 C GLY A 110 10.952 -0.253 1.233 1.00 0.00 C ATOM 1695 O GLY A 110 11.326 0.369 2.228 1.00 0.00 O ATOM 0 H GLY A 110 10.558 -1.488 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.403 0.049 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.163 1.286 -0.238 1.00 0.00 H new ATOM 1699 N ILE A 111 10.203 -1.348 1.303 1.00 0.00 N ATOM 1700 CA ILE A 111 9.769 -1.896 2.582 1.00 0.00 C ATOM 1701 C ILE A 111 10.899 -2.656 3.267 1.00 0.00 C ATOM 1702 O ILE A 111 11.435 -3.631 2.738 1.00 0.00 O ATOM 1703 CB ILE A 111 8.562 -2.836 2.411 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.324 -2.042 1.991 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.297 -3.598 3.702 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.166 -1.916 0.492 1.00 0.00 C ATOM 0 H ILE A 111 9.884 -1.873 0.489 1.00 0.00 H new ATOM 0 HA ILE A 111 9.475 -1.050 3.204 1.00 0.00 H new ATOM 0 HB ILE A 111 8.791 -3.557 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.437 -2.524 2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.377 -1.045 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.441 -4.258 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.174 -4.190 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.086 -2.891 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.267 -1.341 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.036 -1.407 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 111 7.081 -2.909 0.050 1.00 0.00 H new ATOM 1718 N PRO A 112 11.271 -2.204 4.474 1.00 0.00 N ATOM 1719 CA PRO A 112 12.340 -2.829 5.258 1.00 0.00 C ATOM 1720 C PRO A 112 12.191 -4.345 5.337 1.00 0.00 C ATOM 1721 O PRO A 112 11.134 -4.856 5.706 1.00 0.00 O ATOM 1722 CB PRO A 112 12.175 -2.203 6.645 1.00 0.00 C ATOM 1723 CG PRO A 112 11.521 -0.888 6.392 1.00 0.00 C ATOM 1724 CD PRO A 112 10.677 -1.048 5.165 1.00 0.00 C ATOM 0 HA PRO A 112 13.321 -2.663 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.563 -2.831 7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.138 -2.077 7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.910 -0.591 7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.268 -0.107 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.633 -1.228 5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.704 -0.154 4.542 1.00 0.00 H new ATOM 1732 N ALA A 113 13.257 -5.058 4.988 1.00 0.00 N ATOM 1733 CA ALA A 113 13.245 -6.516 5.021 1.00 0.00 C ATOM 1734 C ALA A 113 12.823 -7.030 6.394 1.00 0.00 C ATOM 1735 O ALA A 113 12.055 -7.984 6.517 1.00 0.00 O ATOM 1736 CB ALA A 113 14.614 -7.063 4.649 1.00 0.00 C ATOM 0 H ALA A 113 14.139 -4.650 4.679 1.00 0.00 H new ATOM 0 HA ALA A 113 12.515 -6.866 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.591 -8.152 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.877 -6.732 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.357 -6.697 5.358 1.00 0.00 H new ATOM 1742 N PRO A 114 13.336 -6.384 7.452 1.00 0.00 N ATOM 1743 CA PRO A 114 13.026 -6.759 8.834 1.00 0.00 C ATOM 1744 C PRO A 114 11.525 -6.854 9.087 1.00 0.00 C ATOM 1745 O PRO A 114 11.075 -7.645 9.915 1.00 0.00 O ATOM 1746 CB PRO A 114 13.635 -5.620 9.656 1.00 0.00 C ATOM 1747 CG PRO A 114 14.737 -5.088 8.806 1.00 0.00 C ATOM 1748 CD PRO A 114 14.257 -5.238 7.379 1.00 0.00 C ATOM 0 HA PRO A 114 13.420 -7.744 9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.895 -4.849 9.874 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.012 -5.980 10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 114 14.946 -4.044 9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.661 -5.643 8.969 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.753 -4.338 7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.083 -5.429 6.694 1.00 0.00 H new ATOM 1756 N GLU A 115 10.756 -6.043 8.367 1.00 0.00 N ATOM 1757 CA GLU A 115 9.305 -6.037 8.515 1.00 0.00 C ATOM 1758 C GLU A 115 8.620 -6.153 7.156 1.00 0.00 C ATOM 1759 O GLU A 115 7.508 -5.661 6.967 1.00 0.00 O ATOM 1760 CB GLU A 115 8.848 -4.758 9.221 1.00 0.00 C ATOM 1761 CG GLU A 115 9.717 -3.550 8.916 1.00 0.00 C ATOM 1762 CD GLU A 115 9.705 -2.526 10.034 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.906 -2.690 10.980 1.00 0.00 O ATOM 1764 OE2 GLU A 115 10.494 -1.560 9.963 1.00 0.00 O ATOM 0 H GLU A 115 11.113 -5.383 7.676 1.00 0.00 H new ATOM 0 HA GLU A 115 9.023 -6.899 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.821 -4.539 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.844 -4.929 10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.741 -3.879 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.371 -3.081 7.995 1.00 0.00 H new ATOM 1771 N GLU A 116 9.292 -6.809 6.215 1.00 0.00 N ATOM 1772 CA GLU A 116 8.748 -6.989 4.874 1.00 0.00 C ATOM 1773 C GLU A 116 7.475 -7.829 4.912 1.00 0.00 C ATOM 1774 O GLU A 116 6.502 -7.531 4.221 1.00 0.00 O ATOM 1775 CB GLU A 116 9.784 -7.653 3.965 1.00 0.00 C ATOM 1776 CG GLU A 116 9.201 -8.185 2.666 1.00 0.00 C ATOM 1777 CD GLU A 116 10.201 -9.002 1.870 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.413 -8.894 2.150 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.770 -9.749 0.967 1.00 0.00 O ATOM 0 H GLU A 116 10.213 -7.224 6.356 1.00 0.00 H new ATOM 0 HA GLU A 116 8.502 -6.005 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.568 -6.932 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.256 -8.474 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.329 -8.801 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.854 -7.349 2.058 1.00 0.00 H new ATOM 1786 N GLU A 117 7.492 -8.882 5.724 1.00 0.00 N ATOM 1787 CA GLU A 117 6.339 -9.767 5.850 1.00 0.00 C ATOM 1788 C GLU A 117 5.239 -9.112 6.681 1.00 0.00 C ATOM 1789 O GLU A 117 4.111 -8.948 6.217 1.00 0.00 O ATOM 1790 CB GLU A 117 6.755 -11.094 6.489 1.00 0.00 C ATOM 1791 CG GLU A 117 5.623 -12.102 6.588 1.00 0.00 C ATOM 1792 CD GLU A 117 5.979 -13.296 7.452 1.00 0.00 C ATOM 1793 OE1 GLU A 117 7.114 -13.801 7.328 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.122 -13.725 8.252 1.00 0.00 O ATOM 0 H GLU A 117 8.290 -9.143 6.303 1.00 0.00 H new ATOM 0 HA GLU A 117 5.949 -9.960 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.568 -11.529 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.146 -10.900 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.740 -11.612 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.360 -12.447 5.588 1.00 0.00 H new ATOM 1801 N ARG A 118 5.577 -8.740 7.911 1.00 0.00 N ATOM 1802 CA ARG A 118 4.619 -8.105 8.807 1.00 0.00 C ATOM 1803 C ARG A 118 3.711 -7.147 8.042 1.00 0.00 C ATOM 1804 O ARG A 118 2.486 -7.267 8.084 1.00 0.00 O ATOM 1805 CB ARG A 118 5.350 -7.352 9.920 1.00 0.00 C ATOM 1806 CG ARG A 118 4.443 -6.457 10.749 1.00 0.00 C ATOM 1807 CD ARG A 118 5.218 -5.316 11.388 1.00 0.00 C ATOM 1808 NE ARG A 118 4.334 -4.327 11.997 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.764 -3.202 12.557 1.00 0.00 C ATOM 1810 NH1 ARG A 118 6.061 -2.925 12.585 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.897 -2.350 13.090 1.00 0.00 N ATOM 0 H ARG A 118 6.507 -8.867 8.310 1.00 0.00 H new ATOM 0 HA ARG A 118 4.002 -8.887 9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.834 -8.074 10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.140 -6.745 9.478 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.653 -6.052 10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.958 -7.048 11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.892 -5.715 12.146 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.838 -4.832 10.634 1.00 0.00 H new ATOM 0 HE ARG A 118 3.331 -4.510 11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.731 -3.577 12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.389 -2.060 13.016 1.00 0.00 H new ATOM 0 HH21 ARG A 118 2.899 -2.559 13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.229 -1.487 13.520 1.00 0.00 H new ATOM 1825 N THR A 119 4.320 -6.194 7.343 1.00 0.00 N ATOM 1826 CA THR A 119 3.567 -5.214 6.569 1.00 0.00 C ATOM 1827 C THR A 119 2.499 -5.889 5.717 1.00 0.00 C ATOM 1828 O THR A 119 1.304 -5.749 5.976 1.00 0.00 O ATOM 1829 CB THR A 119 4.493 -4.390 5.655 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.563 -3.825 6.421 1.00 0.00 O ATOM 1831 CG2 THR A 119 3.718 -3.280 4.960 1.00 0.00 C ATOM 0 H THR A 119 5.333 -6.080 7.297 1.00 0.00 H new ATOM 0 HA THR A 119 3.087 -4.546 7.285 1.00 0.00 H new ATOM 0 HB THR A 119 4.904 -5.056 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.260 -4.500 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.392 -2.711 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.923 -3.715 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.282 -2.617 5.708 1.00 0.00 H new ATOM 1839 N ARG A 120 2.937 -6.623 4.699 1.00 0.00 N ATOM 1840 CA ARG A 120 2.018 -7.320 3.808 1.00 0.00 C ATOM 1841 C ARG A 120 0.891 -7.979 4.597 1.00 0.00 C ATOM 1842 O ARG A 120 -0.276 -7.900 4.214 1.00 0.00 O ATOM 1843 CB ARG A 120 2.767 -8.374 2.991 1.00 0.00 C ATOM 1844 CG ARG A 120 2.169 -8.616 1.614 1.00 0.00 C ATOM 1845 CD ARG A 120 3.083 -9.472 0.752 1.00 0.00 C ATOM 1846 NE ARG A 120 2.459 -9.832 -0.518 1.00 0.00 N ATOM 1847 CZ ARG A 120 3.131 -10.317 -1.556 1.00 0.00 C ATOM 1848 NH1 ARG A 120 4.442 -10.499 -1.474 1.00 0.00 N ATOM 1849 NH2 ARG A 120 2.493 -10.620 -2.679 1.00 0.00 N ATOM 0 H ARG A 120 3.923 -6.750 4.471 1.00 0.00 H new ATOM 0 HA ARG A 120 1.583 -6.586 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.805 -8.063 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.774 -9.313 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.201 -9.106 1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.991 -7.661 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.010 -8.932 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.349 -10.379 1.295 1.00 0.00 H new ATOM 0 HE ARG A 120 1.452 -9.704 -0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.936 -10.266 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.956 -10.872 -2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.485 -10.481 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 120 3.011 -10.992 -3.475 1.00 0.00 H new ATOM 1863 N GLN A 121 1.249 -8.630 5.700 1.00 0.00 N ATOM 1864 CA GLN A 121 0.267 -9.303 6.541 1.00 0.00 C ATOM 1865 C GLN A 121 -0.702 -8.300 7.158 1.00 0.00 C ATOM 1866 O GLN A 121 -1.876 -8.603 7.366 1.00 0.00 O ATOM 1867 CB GLN A 121 0.969 -10.096 7.645 1.00 0.00 C ATOM 1868 CG GLN A 121 2.023 -11.060 7.126 1.00 0.00 C ATOM 1869 CD GLN A 121 1.460 -12.435 6.826 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.580 -12.926 7.534 1.00 0.00 O ATOM 1871 NE2 GLN A 121 1.965 -13.065 5.772 1.00 0.00 N ATOM 0 H GLN A 121 2.211 -8.705 6.031 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.301 -9.990 5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.437 -9.399 8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.223 -10.656 8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.471 -10.650 6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.821 -11.151 7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.693 -12.621 5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.625 -13.993 5.521 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.202 -7.102 7.448 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.037 -6.073 8.038 1.00 0.00 C ATOM 1882 C GLY A 122 -1.378 -4.970 7.055 1.00 0.00 C ATOM 1883 O GLY A 122 -1.907 -3.927 7.442 1.00 0.00 O ATOM 0 H GLY A 122 0.766 -6.827 7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.958 -6.524 8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.525 -5.643 8.899 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.074 -5.198 5.783 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.350 -4.214 4.743 1.00 0.00 C ATOM 1889 C TRP A 123 -2.738 -4.426 4.148 1.00 0.00 C ATOM 1890 O TRP A 123 -3.628 -3.593 4.317 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.292 -4.295 3.641 1.00 0.00 C ATOM 1892 CG TRP A 123 -0.003 -2.973 2.997 1.00 0.00 C ATOM 1893 CD1 TRP A 123 0.913 -2.046 3.403 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.636 -2.431 1.832 1.00 0.00 C ATOM 1895 NE1 TRP A 123 0.888 -0.960 2.562 1.00 0.00 N ATOM 1896 CE2 TRP A 123 -0.053 -1.172 1.590 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.636 -2.887 0.970 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.439 -0.366 0.522 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -2.019 -2.086 -0.089 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.421 -0.838 -0.306 1.00 0.00 C ATOM 0 H TRP A 123 -0.636 -6.056 5.447 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.317 -3.224 5.197 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.630 -4.696 4.062 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.626 -4.998 2.878 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.562 -2.151 4.260 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.475 -0.130 2.648 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.102 -3.849 1.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.020 0.597 0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.792 -2.428 -0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.741 -0.236 -1.144 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.915 -5.545 3.453 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.196 -5.864 2.833 1.00 0.00 C ATOM 1913 C GLN A 124 -5.263 -6.124 3.891 1.00 0.00 C ATOM 1914 O GLN A 124 -6.438 -5.818 3.689 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.055 -7.086 1.923 1.00 0.00 C ATOM 1916 CG GLN A 124 -2.896 -6.985 0.945 1.00 0.00 C ATOM 1917 CD GLN A 124 -1.589 -7.476 1.536 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -0.594 -6.751 1.557 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.585 -8.712 2.020 1.00 0.00 N ATOM 0 H GLN A 124 -2.188 -6.245 3.305 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.505 -5.007 2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.923 -7.975 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -4.981 -7.221 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.127 -7.566 0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.781 -5.948 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.433 -9.277 1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.734 -9.096 2.430 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.845 -6.689 5.019 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.766 -6.991 6.109 1.00 0.00 C ATOM 1930 C ARG A 125 -6.639 -5.783 6.433 1.00 0.00 C ATOM 1931 O ARG A 125 -7.721 -5.922 7.004 1.00 0.00 O ATOM 1932 CB ARG A 125 -4.990 -7.422 7.355 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.780 -8.924 7.452 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.536 -9.361 8.888 1.00 0.00 C ATOM 1935 NE ARG A 125 -4.432 -10.813 9.008 1.00 0.00 N ATOM 1936 CZ ARG A 125 -5.461 -11.639 8.855 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -6.665 -11.158 8.577 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -5.287 -12.948 8.980 1.00 0.00 N ATOM 0 H ARG A 125 -3.875 -6.947 5.202 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.412 -7.809 5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.019 -6.927 7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.524 -7.080 8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.654 -9.441 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.931 -9.215 6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.619 -8.900 9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.349 -9.002 9.519 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.519 -11.215 9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -6.802 -10.152 8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -7.454 -11.794 8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.362 -13.321 9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.078 -13.581 8.862 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.163 -4.599 6.065 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.899 -3.366 6.319 1.00 0.00 C ATOM 1954 C TYR A 126 -7.191 -2.628 5.016 1.00 0.00 C ATOM 1955 O TYR A 126 -8.258 -2.038 4.850 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.108 -2.461 7.265 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.291 -3.220 8.286 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.786 -4.371 8.886 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.022 -2.785 8.651 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.043 -5.067 9.820 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.271 -3.475 9.583 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.786 -4.615 10.165 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.042 -5.306 11.093 1.00 0.00 O ATOM 0 H TYR A 126 -5.270 -4.467 5.590 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.848 -3.629 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.443 -1.828 6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.801 -1.799 7.785 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.769 -4.728 8.618 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.616 -1.892 8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.444 -5.960 10.277 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.286 -3.124 9.854 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.181 -4.856 11.222 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.234 -2.666 4.096 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.386 -1.999 2.808 1.00 0.00 C ATOM 1975 C TYR A 127 -7.525 -2.619 2.004 1.00 0.00 C ATOM 1976 O TYR A 127 -8.546 -1.977 1.755 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.083 -2.080 2.011 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.275 -0.802 2.040 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.990 -0.164 3.241 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.797 -0.232 0.866 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.253 1.004 3.272 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.059 0.935 0.888 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.790 1.550 2.093 1.00 0.00 C ATOM 1984 OH TYR A 127 -2.055 2.713 2.119 1.00 0.00 O ATOM 0 H TYR A 127 -5.345 -3.151 4.218 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.625 -0.952 2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.475 -2.893 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.315 -2.330 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.351 -0.589 4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.006 -0.710 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.040 1.487 4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.694 1.364 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.352 2.640 2.797 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.343 -3.873 1.603 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.354 -4.582 0.827 1.00 0.00 C ATOM 1996 C PHE A 128 -9.278 -5.382 1.740 1.00 0.00 C ATOM 1997 O PHE A 128 -10.454 -5.052 1.894 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.689 -5.514 -0.187 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.464 -4.926 -0.829 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.296 -3.552 -0.901 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.482 -5.746 -1.360 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.170 -3.008 -1.490 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.355 -5.208 -1.950 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.199 -3.837 -2.016 1.00 0.00 C ATOM 0 H PHE A 128 -6.505 -4.419 1.803 1.00 0.00 H new ATOM 0 HA PHE A 128 -8.951 -3.842 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.417 -6.445 0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.411 -5.767 -0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.053 -2.899 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.599 -6.819 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.050 -1.936 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.596 -5.859 -2.359 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.319 -3.414 -2.478 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.737 -6.436 2.344 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.513 -7.284 3.241 1.00 0.00 C ATOM 2016 C GLU A 129 -10.566 -6.468 3.985 1.00 0.00 C ATOM 2017 O GLU A 129 -11.668 -6.948 4.246 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.591 -7.983 4.242 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.593 -8.928 3.594 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.266 -10.055 2.835 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.059 -10.796 3.451 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -7.998 -10.195 1.623 1.00 0.00 O ATOM 0 H GLU A 129 -7.765 -6.723 2.228 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.021 -8.038 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.048 -7.228 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.199 -8.542 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -6.955 -8.365 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.945 -9.349 4.363 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.217 -5.231 4.325 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.142 -4.369 5.037 1.00 0.00 C ATOM 2031 C GLY A 130 -12.223 -3.808 4.134 1.00 0.00 C ATOM 2032 O GLY A 130 -13.400 -4.135 4.288 1.00 0.00 O ATOM 0 H GLY A 130 -9.311 -4.811 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.606 -4.930 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.590 -3.547 5.493 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.824 -2.960 3.192 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.768 -2.352 2.263 1.00 0.00 C ATOM 2038 C ILE A 131 -13.683 -3.403 1.643 1.00 0.00 C ATOM 2039 O ILE A 131 -14.879 -3.171 1.459 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.041 -1.594 1.137 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.114 -0.528 1.726 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.048 -0.961 0.188 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.108 0.013 0.735 1.00 0.00 C ATOM 0 H ILE A 131 -10.854 -2.679 3.052 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.366 -1.646 2.839 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.436 -2.304 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.717 0.297 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.581 -0.952 2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.519 -0.429 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.671 -1.739 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.677 -0.261 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.485 0.764 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.480 -0.801 0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.633 0.467 -0.105 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.115 -4.561 1.325 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.879 -5.651 0.729 1.00 0.00 C ATOM 2057 C LYS A 132 -15.046 -6.051 1.625 1.00 0.00 C ATOM 2058 O LYS A 132 -16.068 -6.542 1.146 1.00 0.00 O ATOM 2059 CB LYS A 132 -12.974 -6.860 0.482 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.037 -6.687 -0.701 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.126 -7.891 -0.871 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.674 -8.863 -1.905 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.870 -10.115 -1.969 1.00 0.00 N ATOM 0 H LYS A 132 -12.127 -4.769 1.470 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.278 -5.303 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.383 -7.050 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.595 -7.740 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.620 -6.540 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.434 -5.790 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.133 -7.558 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.013 -8.401 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -12.708 -9.107 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -11.681 -8.385 -2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.638 -10.328 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.991 -9.992 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -11.419 -10.901 -1.565 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.888 -5.835 2.927 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.930 -6.173 3.890 1.00 0.00 C ATOM 2079 C GLN A 133 -16.743 -4.939 4.267 1.00 0.00 C ATOM 2080 O GLN A 133 -17.961 -4.906 4.089 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.314 -6.795 5.144 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.421 -7.990 4.853 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.180 -9.302 4.864 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.299 -9.955 5.902 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.699 -9.696 3.707 1.00 0.00 N ATOM 0 H GLN A 133 -14.049 -5.428 3.339 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.598 -6.898 3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.733 -6.036 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.114 -7.105 5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.948 -7.857 3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.622 -8.031 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.576 -9.124 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -16.221 -10.571 3.654 1.00 0.00 H new ATOM 2094 N THR A 134 -16.062 -3.924 4.790 1.00 0.00 N ATOM 2095 CA THR A 134 -16.720 -2.689 5.195 1.00 0.00 C ATOM 2096 C THR A 134 -17.605 -2.147 4.078 1.00 0.00 C ATOM 2097 O THR A 134 -18.817 -2.004 4.246 1.00 0.00 O ATOM 2098 CB THR A 134 -15.695 -1.609 5.591 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.914 -2.061 6.703 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.393 -0.307 5.952 1.00 0.00 C ATOM 0 H THR A 134 -15.054 -3.934 4.943 1.00 0.00 H new ATOM 0 HA THR A 134 -17.337 -2.929 6.061 1.00 0.00 H new ATOM 0 HB THR A 134 -15.042 -1.428 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.002 -2.257 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.649 0.440 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.964 0.049 5.095 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.067 -0.476 6.792 1.00 0.00 H new ATOM 2108 N PHE A 135 -16.994 -1.847 2.937 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.727 -1.320 1.792 1.00 0.00 C ATOM 2110 C PHE A 135 -18.384 -2.447 1.002 1.00 0.00 C ATOM 2111 O PHE A 135 -19.371 -2.234 0.299 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.789 -0.523 0.882 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.288 0.749 1.504 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.541 0.717 2.670 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.563 1.975 0.921 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.080 1.886 3.245 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.103 3.148 1.491 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.360 3.103 2.654 1.00 0.00 C ATOM 0 H PHE A 135 -15.992 -1.960 2.781 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.509 -0.658 2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -15.937 -1.148 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.311 -0.284 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.316 -0.232 3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.143 2.015 0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.501 1.848 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.325 4.098 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 135 -14.998 4.017 3.101 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.829 -3.649 1.122 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.373 -4.793 0.414 1.00 0.00 C ATOM 2130 C GLY A 136 -17.909 -4.856 -1.028 1.00 0.00 C ATOM 2131 O GLY A 136 -18.715 -5.049 -1.939 1.00 0.00 O ATOM 0 H GLY A 136 -17.011 -3.851 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.078 -5.708 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.462 -4.749 0.441 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.607 -4.692 -1.236 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.038 -4.727 -2.578 1.00 0.00 C ATOM 2137 C TYR A 137 -15.255 -6.017 -2.804 1.00 0.00 C ATOM 2138 O TYR A 137 -14.382 -6.084 -3.668 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.127 -3.519 -2.800 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.835 -2.191 -2.649 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.218 -2.104 -2.751 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.121 -1.025 -2.406 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.869 -0.893 -2.614 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.764 0.190 -2.266 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.138 0.251 -2.372 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.782 1.459 -2.235 1.00 0.00 O ATOM 0 H TYR A 137 -15.926 -4.534 -0.493 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.859 -4.691 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.300 -3.563 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.695 -3.579 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.794 -2.998 -2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.045 -1.069 -2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.945 -0.843 -2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.194 1.087 -2.075 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.122 2.164 -2.067 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.574 -7.041 -2.018 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.893 -8.316 -2.147 1.00 0.00 C ATOM 2158 C GLY A 138 -15.784 -9.394 -2.730 1.00 0.00 C ATOM 2159 O GLY A 138 -17.006 -9.246 -2.767 1.00 0.00 O ATOM 0 H GLY A 138 -16.292 -7.010 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.015 -8.193 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.536 -8.634 -1.167 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.173 -10.481 -3.189 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.920 -11.588 -3.774 1.00 0.00 C ATOM 2165 C ALA A 139 -15.876 -12.817 -2.872 1.00 0.00 C ATOM 2166 O ALA A 139 -16.886 -13.495 -2.681 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.372 -11.924 -5.153 1.00 0.00 C ATOM 0 H ALA A 139 -14.163 -10.619 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.961 -11.279 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.939 -12.752 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.461 -11.053 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.323 -12.208 -5.068 1.00 0.00 H new