USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 806 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 49 HIS : no HD1:sc= -0.224 X(o=-0.14,f=-0.54) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -112:sc= 0.0818 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.53 K(o=0.53,f=-0.84) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.16) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.092) USER MOD Single : A 20 SER OG : rot 79:sc= 0.318 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.0829 X(o=-0.083,f=-0.32) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.1) USER MOD Single : A 32 GLN : amide:sc= -0.0773 X(o=-0.077,f=-0.013) USER MOD Single : A 33 MET CE :methyl 169:sc= 0 (180deg=-0.183) USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.2) USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= 1.26 (180deg=0.931) USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= 1.21 (180deg=-0.268) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.14) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.2) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc=-0.000103 (180deg=-0.09) USER MOD Single : A 56 SER OG : rot -128:sc= 1.05 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.432 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc=-0.00375 (180deg=-0.141) USER MOD Single : A 83 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -171:sc= 0 (180deg=-0.12) USER MOD Single : A 87 MET CE :methyl 168:sc= 0 (180deg=-0.131) USER MOD Single : A 92 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.379) USER MOD Single : A 97 LYS NZ :NH3+ -129:sc= 1.07 (180deg=-0.687) USER MOD Single : A 104 SER OG : rot -160:sc= -0.0285 USER MOD Single : A 105 THR OG1 : rot -72:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 9.573 -4.627 8.057 1.00 0.62 N ATOM 49 CA THR A 4 10.958 -5.108 8.106 1.00 0.46 C ATOM 50 C THR A 4 11.010 -6.450 8.825 1.00 0.49 C ATOM 51 O THR A 4 11.592 -7.396 8.301 1.00 0.64 O ATOM 52 CB THR A 4 11.826 -4.036 8.802 1.00 0.59 C ATOM 53 OG1 THR A 4 12.237 -3.128 7.808 1.00 0.77 O ATOM 54 CG2 THR A 4 13.063 -4.524 9.552 1.00 0.71 C ATOM 0 HA THR A 4 11.351 -5.267 7.102 1.00 0.46 H new ATOM 0 HB THR A 4 11.195 -3.606 9.579 1.00 0.59 H new ATOM 0 HG1 THR A 4 12.791 -2.428 8.213 1.00 0.77 H new ATOM 0 HG21 THR A 4 13.581 -3.672 9.993 1.00 0.71 H new ATOM 0 HG22 THR A 4 12.762 -5.213 10.341 1.00 0.71 H new ATOM 0 HG23 THR A 4 13.731 -5.035 8.859 1.00 0.71 H new ATOM 62 N ASP A 5 10.351 -6.521 9.989 1.00 0.52 N ATOM 63 CA ASP A 5 10.275 -7.693 10.861 1.00 0.61 C ATOM 64 C ASP A 5 8.937 -8.434 10.711 1.00 0.62 C ATOM 65 O ASP A 5 8.904 -9.659 10.773 1.00 0.84 O ATOM 66 CB ASP A 5 10.488 -7.197 12.297 1.00 0.69 C ATOM 67 CG ASP A 5 10.576 -8.338 13.307 1.00 1.03 C ATOM 68 OD1 ASP A 5 11.584 -9.075 13.240 1.00 1.92 O ATOM 69 OD2 ASP A 5 9.651 -8.425 14.144 1.00 1.81 O ATOM 0 H ASP A 5 9.834 -5.725 10.362 1.00 0.52 H new ATOM 0 HA ASP A 5 11.042 -8.418 10.588 1.00 0.61 H new ATOM 0 HB2 ASP A 5 11.403 -6.607 12.341 1.00 0.69 H new ATOM 0 HB3 ASP A 5 9.668 -6.535 12.574 1.00 0.69 H new ATOM 74 N LEU A 6 7.844 -7.704 10.436 1.00 0.59 N ATOM 75 CA LEU A 6 6.539 -8.288 10.117 1.00 0.69 C ATOM 76 C LEU A 6 6.629 -8.958 8.736 1.00 0.59 C ATOM 77 O LEU A 6 6.303 -10.132 8.581 1.00 0.65 O ATOM 78 CB LEU A 6 5.448 -7.187 10.170 1.00 0.84 C ATOM 79 CG LEU A 6 4.897 -6.795 11.564 1.00 1.03 C ATOM 80 CD1 LEU A 6 3.873 -7.786 12.120 1.00 1.83 C ATOM 81 CD2 LEU A 6 5.975 -6.594 12.628 1.00 1.86 C ATOM 0 H LEU A 6 7.845 -6.684 10.430 1.00 0.59 H new ATOM 0 HA LEU A 6 6.261 -9.048 10.847 1.00 0.69 H new ATOM 0 HB2 LEU A 6 5.853 -6.289 9.703 1.00 0.84 H new ATOM 0 HB3 LEU A 6 4.609 -7.515 9.556 1.00 0.84 H new ATOM 0 HG LEU A 6 4.411 -5.840 11.365 1.00 1.03 H new ATOM 0 HD11 LEU A 6 3.532 -7.446 13.098 1.00 1.83 H new ATOM 0 HD12 LEU A 6 3.023 -7.850 11.441 1.00 1.83 H new ATOM 0 HD13 LEU A 6 4.334 -8.769 12.218 1.00 1.83 H new ATOM 0 HD21 LEU A 6 5.506 -6.322 13.574 1.00 1.86 H new ATOM 0 HD22 LEU A 6 6.538 -7.519 12.755 1.00 1.86 H new ATOM 0 HD23 LEU A 6 6.651 -5.798 12.315 1.00 1.86 H new ATOM 93 N LEU A 7 7.116 -8.211 7.731 1.00 0.56 N ATOM 94 CA LEU A 7 7.094 -8.648 6.333 1.00 0.56 C ATOM 95 C LEU A 7 8.365 -9.375 5.928 1.00 0.67 C ATOM 96 O LEU A 7 8.267 -10.543 5.575 1.00 1.50 O ATOM 97 CB LEU A 7 6.794 -7.495 5.357 1.00 0.64 C ATOM 98 CG LEU A 7 5.779 -6.414 5.763 1.00 1.18 C ATOM 99 CD1 LEU A 7 5.352 -5.621 4.518 1.00 2.29 C ATOM 100 CD2 LEU A 7 4.509 -6.932 6.427 1.00 1.68 C ATOM 0 H LEU A 7 7.534 -7.291 7.869 1.00 0.56 H new ATOM 0 HA LEU A 7 6.271 -9.360 6.265 1.00 0.56 H new ATOM 0 HB2 LEU A 7 7.738 -6.994 5.141 1.00 0.64 H new ATOM 0 HB3 LEU A 7 6.446 -7.937 4.423 1.00 0.64 H new ATOM 0 HG LEU A 7 6.300 -5.805 6.501 1.00 1.18 H new ATOM 0 HD11 LEU A 7 4.632 -4.854 4.804 1.00 2.29 H new ATOM 0 HD12 LEU A 7 6.226 -5.149 4.070 1.00 2.29 H new ATOM 0 HD13 LEU A 7 4.894 -6.297 3.796 1.00 2.29 H new ATOM 0 HD21 LEU A 7 3.859 -6.092 6.675 1.00 1.68 H new ATOM 0 HD22 LEU A 7 3.989 -7.604 5.744 1.00 1.68 H new ATOM 0 HD23 LEU A 7 4.769 -7.471 7.338 1.00 1.68 H new ATOM 112 N ASN A 8 9.505 -8.675 5.964 1.00 0.44 N ATOM 113 CA ASN A 8 10.845 -9.017 5.481 1.00 0.39 C ATOM 114 C ASN A 8 11.488 -7.777 4.832 1.00 0.35 C ATOM 115 O ASN A 8 11.102 -7.396 3.725 1.00 0.40 O ATOM 116 CB ASN A 8 10.877 -10.141 4.428 1.00 0.47 C ATOM 117 CG ASN A 8 10.860 -11.582 4.909 1.00 0.73 C ATOM 118 OD1 ASN A 8 10.750 -11.924 6.077 1.00 1.54 O ATOM 119 ND2 ASN A 8 10.994 -12.487 3.966 1.00 1.49 N ATOM 0 H ASN A 8 9.508 -7.745 6.383 1.00 0.44 H new ATOM 0 HA ASN A 8 11.386 -9.367 6.360 1.00 0.39 H new ATOM 0 HB2 ASN A 8 10.021 -10.001 3.767 1.00 0.47 H new ATOM 0 HB3 ASN A 8 11.773 -10.004 3.823 1.00 0.47 H new ATOM 0 HD21 ASN A 8 11.006 -13.478 4.208 1.00 1.49 H new ATOM 0 HD22 ASN A 8 11.086 -12.199 2.992 1.00 1.49 H new ATOM 126 N ALA A 9 12.498 -7.174 5.472 1.00 0.35 N ATOM 127 CA ALA A 9 13.254 -6.051 4.898 1.00 0.36 C ATOM 128 C ALA A 9 13.815 -6.323 3.485 1.00 0.37 C ATOM 129 O ALA A 9 13.909 -5.399 2.677 1.00 0.52 O ATOM 130 CB ALA A 9 14.385 -5.670 5.854 1.00 0.47 C ATOM 0 H ALA A 9 12.815 -7.450 6.402 1.00 0.35 H new ATOM 0 HA ALA A 9 12.551 -5.227 4.778 1.00 0.36 H new ATOM 0 HB1 ALA A 9 14.951 -4.838 5.435 1.00 0.47 H new ATOM 0 HB2 ALA A 9 13.965 -5.376 6.816 1.00 0.47 H new ATOM 0 HB3 ALA A 9 15.047 -6.525 5.993 1.00 0.47 H new ATOM 136 N GLU A 10 14.154 -7.578 3.162 1.00 0.32 N ATOM 137 CA GLU A 10 14.553 -7.959 1.807 1.00 0.34 C ATOM 138 C GLU A 10 13.403 -7.867 0.800 1.00 0.35 C ATOM 139 O GLU A 10 13.548 -7.183 -0.210 1.00 0.58 O ATOM 140 CB GLU A 10 15.164 -9.364 1.772 1.00 0.40 C ATOM 141 CG GLU A 10 16.598 -9.372 2.315 1.00 1.19 C ATOM 142 CD GLU A 10 17.401 -10.494 1.660 1.00 1.95 C ATOM 143 OE1 GLU A 10 17.748 -10.291 0.469 1.00 3.29 O ATOM 144 OE2 GLU A 10 17.643 -11.521 2.325 1.00 2.31 O ATOM 0 H GLU A 10 14.159 -8.350 3.829 1.00 0.32 H new ATOM 0 HA GLU A 10 15.312 -7.235 1.509 1.00 0.34 H new ATOM 0 HB2 GLU A 10 14.548 -10.044 2.361 1.00 0.40 H new ATOM 0 HB3 GLU A 10 15.160 -9.737 0.748 1.00 0.40 H new ATOM 0 HG2 GLU A 10 17.074 -8.411 2.120 1.00 1.19 H new ATOM 0 HG3 GLU A 10 16.585 -9.507 3.397 1.00 1.19 H new ATOM 151 N ASP A 11 12.269 -8.527 1.054 1.00 0.29 N ATOM 152 CA ASP A 11 11.087 -8.475 0.193 1.00 0.31 C ATOM 153 C ASP A 11 10.614 -7.012 -0.004 1.00 0.31 C ATOM 154 O ASP A 11 10.272 -6.614 -1.123 1.00 0.32 O ATOM 155 CB ASP A 11 9.976 -9.382 0.760 1.00 0.32 C ATOM 156 CG ASP A 11 10.303 -10.865 1.032 1.00 0.70 C ATOM 157 OD1 ASP A 11 11.364 -11.173 1.622 1.00 1.86 O ATOM 158 OD2 ASP A 11 9.432 -11.723 0.753 1.00 1.67 O ATOM 0 H ASP A 11 12.146 -9.120 1.875 1.00 0.29 H new ATOM 0 HA ASP A 11 11.346 -8.856 -0.795 1.00 0.31 H new ATOM 0 HB2 ASP A 11 9.634 -8.941 1.696 1.00 0.32 H new ATOM 0 HB3 ASP A 11 9.136 -9.350 0.067 1.00 0.32 H new ATOM 163 N ILE A 12 10.710 -6.170 1.043 1.00 0.34 N ATOM 164 CA ILE A 12 10.501 -4.710 0.973 1.00 0.40 C ATOM 165 C ILE A 12 11.314 -4.037 -0.150 1.00 0.42 C ATOM 166 O ILE A 12 10.802 -3.112 -0.787 1.00 0.38 O ATOM 167 CB ILE A 12 10.756 -4.042 2.357 1.00 0.57 C ATOM 168 CG1 ILE A 12 9.453 -3.817 3.156 1.00 0.66 C ATOM 169 CG2 ILE A 12 11.444 -2.667 2.304 1.00 0.67 C ATOM 170 CD1 ILE A 12 9.085 -5.032 3.990 1.00 0.82 C ATOM 0 H ILE A 12 10.940 -6.493 1.983 1.00 0.34 H new ATOM 0 HA ILE A 12 9.454 -4.555 0.713 1.00 0.40 H new ATOM 0 HB ILE A 12 11.418 -4.764 2.836 1.00 0.57 H new ATOM 0 HG12 ILE A 12 9.571 -2.951 3.808 1.00 0.66 H new ATOM 0 HG13 ILE A 12 8.639 -3.589 2.467 1.00 0.66 H new ATOM 0 HG21 ILE A 12 11.576 -2.287 3.317 1.00 0.67 H new ATOM 0 HG22 ILE A 12 12.417 -2.765 1.823 1.00 0.67 H new ATOM 0 HG23 ILE A 12 10.826 -1.973 1.734 1.00 0.67 H new ATOM 0 HD11 ILE A 12 8.163 -4.833 4.536 1.00 0.82 H new ATOM 0 HD12 ILE A 12 8.941 -5.892 3.336 1.00 0.82 H new ATOM 0 HD13 ILE A 12 9.887 -5.244 4.697 1.00 0.82 H new ATOM 182 N LYS A 13 12.551 -4.491 -0.424 1.00 0.56 N ATOM 183 CA LYS A 13 13.421 -3.898 -1.454 1.00 0.60 C ATOM 184 C LYS A 13 12.767 -3.967 -2.841 1.00 0.54 C ATOM 185 O LYS A 13 12.809 -3.000 -3.600 1.00 0.58 O ATOM 186 CB LYS A 13 14.847 -4.509 -1.396 1.00 0.79 C ATOM 187 CG LYS A 13 15.174 -5.565 -2.474 1.00 1.94 C ATOM 188 CD LYS A 13 16.512 -6.294 -2.268 1.00 3.17 C ATOM 189 CE LYS A 13 16.345 -7.527 -1.370 1.00 4.94 C ATOM 190 NZ LYS A 13 17.598 -8.314 -1.268 1.00 6.41 N ATOM 0 H LYS A 13 12.975 -5.280 0.064 1.00 0.56 H new ATOM 0 HA LYS A 13 13.545 -2.836 -1.243 1.00 0.60 H new ATOM 0 HB2 LYS A 13 15.572 -3.699 -1.477 1.00 0.79 H new ATOM 0 HB3 LYS A 13 14.986 -4.964 -0.415 1.00 0.79 H new ATOM 0 HG2 LYS A 13 14.372 -6.303 -2.496 1.00 1.94 H new ATOM 0 HG3 LYS A 13 15.186 -5.078 -3.449 1.00 1.94 H new ATOM 0 HD2 LYS A 13 16.915 -6.598 -3.234 1.00 3.17 H new ATOM 0 HD3 LYS A 13 17.235 -5.612 -1.821 1.00 3.17 H new ATOM 0 HE2 LYS A 13 16.033 -7.211 -0.374 1.00 4.94 H new ATOM 0 HE3 LYS A 13 15.551 -8.160 -1.767 1.00 4.94 H new ATOM 0 HZ1 LYS A 13 17.412 -9.198 -0.752 1.00 6.41 H new ATOM 0 HZ2 LYS A 13 17.946 -8.537 -2.222 1.00 6.41 H new ATOM 0 HZ3 LYS A 13 18.315 -7.760 -0.758 1.00 6.41 H new ATOM 204 N LYS A 14 12.123 -5.103 -3.149 1.00 0.52 N ATOM 205 CA LYS A 14 11.378 -5.315 -4.394 1.00 0.57 C ATOM 206 C LYS A 14 10.022 -4.624 -4.361 1.00 0.50 C ATOM 207 O LYS A 14 9.590 -4.103 -5.384 1.00 0.60 O ATOM 208 CB LYS A 14 11.206 -6.813 -4.678 1.00 0.68 C ATOM 209 CG LYS A 14 12.541 -7.565 -4.778 1.00 0.75 C ATOM 210 CD LYS A 14 12.369 -8.969 -5.379 1.00 1.69 C ATOM 211 CE LYS A 14 12.033 -8.958 -6.879 1.00 2.89 C ATOM 212 NZ LYS A 14 13.145 -8.415 -7.696 1.00 3.87 N ATOM 0 H LYS A 14 12.107 -5.912 -2.528 1.00 0.52 H new ATOM 0 HA LYS A 14 11.960 -4.870 -5.201 1.00 0.57 H new ATOM 0 HB2 LYS A 14 10.603 -7.260 -3.887 1.00 0.68 H new ATOM 0 HB3 LYS A 14 10.654 -6.939 -5.610 1.00 0.68 H new ATOM 0 HG2 LYS A 14 13.235 -6.991 -5.392 1.00 0.75 H new ATOM 0 HG3 LYS A 14 12.986 -7.647 -3.786 1.00 0.75 H new ATOM 0 HD2 LYS A 14 13.287 -9.536 -5.225 1.00 1.69 H new ATOM 0 HD3 LYS A 14 11.577 -9.491 -4.841 1.00 1.69 H new ATOM 0 HE2 LYS A 14 11.805 -9.972 -7.206 1.00 2.89 H new ATOM 0 HE3 LYS A 14 11.137 -8.360 -7.045 1.00 2.89 H new ATOM 0 HZ1 LYS A 14 12.940 -8.565 -8.705 1.00 3.87 H new ATOM 0 HZ2 LYS A 14 13.246 -7.397 -7.511 1.00 3.87 H new ATOM 0 HZ3 LYS A 14 14.029 -8.902 -7.446 1.00 3.87 H new ATOM 226 N ALA A 15 9.389 -4.581 -3.189 1.00 0.38 N ATOM 227 CA ALA A 15 8.123 -3.903 -2.960 1.00 0.42 C ATOM 228 C ALA A 15 8.178 -2.430 -3.368 1.00 0.38 C ATOM 229 O ALA A 15 7.520 -2.018 -4.321 1.00 0.40 O ATOM 230 CB ALA A 15 7.764 -4.050 -1.481 1.00 0.48 C ATOM 0 H ALA A 15 9.757 -5.031 -2.351 1.00 0.38 H new ATOM 0 HA ALA A 15 7.354 -4.362 -3.582 1.00 0.42 H new ATOM 0 HB1 ALA A 15 6.816 -3.548 -1.285 1.00 0.48 H new ATOM 0 HB2 ALA A 15 7.673 -5.107 -1.232 1.00 0.48 H new ATOM 0 HB3 ALA A 15 8.546 -3.599 -0.870 1.00 0.48 H new ATOM 236 N VAL A 16 9.003 -1.638 -2.672 1.00 0.33 N ATOM 237 CA VAL A 16 9.158 -0.205 -2.942 1.00 0.34 C ATOM 238 C VAL A 16 9.594 0.003 -4.397 1.00 0.36 C ATOM 239 O VAL A 16 9.012 0.823 -5.105 1.00 0.48 O ATOM 240 CB VAL A 16 10.132 0.423 -1.925 1.00 0.33 C ATOM 241 CG1 VAL A 16 10.307 1.928 -2.147 1.00 0.56 C ATOM 242 CG2 VAL A 16 9.624 0.243 -0.487 1.00 0.66 C ATOM 0 H VAL A 16 9.583 -1.975 -1.904 1.00 0.33 H new ATOM 0 HA VAL A 16 8.203 0.306 -2.818 1.00 0.34 H new ATOM 0 HB VAL A 16 11.082 -0.090 -2.073 1.00 0.33 H new ATOM 0 HG11 VAL A 16 11.002 2.327 -1.407 1.00 0.56 H new ATOM 0 HG12 VAL A 16 10.702 2.105 -3.148 1.00 0.56 H new ATOM 0 HG13 VAL A 16 9.343 2.426 -2.044 1.00 0.56 H new ATOM 0 HG21 VAL A 16 10.331 0.696 0.208 1.00 0.66 H new ATOM 0 HG22 VAL A 16 8.652 0.725 -0.381 1.00 0.66 H new ATOM 0 HG23 VAL A 16 9.528 -0.820 -0.266 1.00 0.66 H new ATOM 252 N GLY A 17 10.521 -0.835 -4.885 1.00 0.29 N ATOM 253 CA GLY A 17 11.020 -0.815 -6.259 1.00 0.29 C ATOM 254 C GLY A 17 9.960 -1.085 -7.333 1.00 0.31 C ATOM 255 O GLY A 17 10.198 -0.766 -8.494 1.00 0.47 O ATOM 0 H GLY A 17 10.953 -1.563 -4.316 1.00 0.29 H new ATOM 0 HA2 GLY A 17 11.473 0.158 -6.452 1.00 0.29 H new ATOM 0 HA3 GLY A 17 11.811 -1.559 -6.354 1.00 0.29 H new ATOM 259 N ALA A 18 8.800 -1.651 -6.973 1.00 0.32 N ATOM 260 CA ALA A 18 7.694 -1.905 -7.890 1.00 0.36 C ATOM 261 C ALA A 18 6.897 -0.631 -8.215 1.00 0.44 C ATOM 262 O ALA A 18 6.585 -0.398 -9.378 1.00 0.69 O ATOM 263 CB ALA A 18 6.796 -2.986 -7.279 1.00 0.49 C ATOM 0 H ALA A 18 8.606 -1.949 -6.017 1.00 0.32 H new ATOM 0 HA ALA A 18 8.098 -2.252 -8.841 1.00 0.36 H new ATOM 0 HB1 ALA A 18 5.963 -3.189 -7.951 1.00 0.49 H new ATOM 0 HB2 ALA A 18 7.374 -3.898 -7.131 1.00 0.49 H new ATOM 0 HB3 ALA A 18 6.412 -2.640 -6.319 1.00 0.49 H new ATOM 269 N PHE A 19 6.566 0.189 -7.205 1.00 0.46 N ATOM 270 CA PHE A 19 5.864 1.468 -7.404 1.00 0.60 C ATOM 271 C PHE A 19 6.834 2.631 -7.700 1.00 0.64 C ATOM 272 O PHE A 19 6.376 3.638 -8.233 1.00 0.94 O ATOM 273 CB PHE A 19 5.068 1.855 -6.147 1.00 0.69 C ATOM 274 CG PHE A 19 3.828 1.072 -5.738 1.00 0.72 C ATOM 275 CD1 PHE A 19 3.427 -0.100 -6.404 1.00 1.71 C ATOM 276 CD2 PHE A 19 3.063 1.543 -4.645 1.00 1.71 C ATOM 277 CE1 PHE A 19 2.299 -0.802 -5.955 1.00 1.70 C ATOM 278 CE2 PHE A 19 1.949 0.824 -4.175 1.00 1.70 C ATOM 279 CZ PHE A 19 1.572 -0.350 -4.841 1.00 0.71 C ATOM 0 H PHE A 19 6.777 -0.015 -6.228 1.00 0.46 H new ATOM 0 HA PHE A 19 5.204 1.314 -8.258 1.00 0.60 H new ATOM 0 HB2 PHE A 19 5.761 1.820 -5.306 1.00 0.69 H new ATOM 0 HB3 PHE A 19 4.765 2.895 -6.267 1.00 0.69 H new ATOM 0 HD1 PHE A 19 3.985 -0.458 -7.257 1.00 1.71 H new ATOM 0 HD2 PHE A 19 3.339 2.470 -4.164 1.00 1.71 H new ATOM 0 HE1 PHE A 19 1.986 -1.698 -6.470 1.00 1.70 H new ATOM 0 HE2 PHE A 19 1.394 1.171 -3.316 1.00 1.70 H new ATOM 0 HZ PHE A 19 0.716 -0.911 -4.495 1.00 0.71 H new ATOM 289 N SER A 20 8.133 2.538 -7.345 1.00 0.48 N ATOM 290 CA SER A 20 9.149 3.599 -7.520 1.00 0.54 C ATOM 291 C SER A 20 9.420 3.961 -8.990 1.00 0.60 C ATOM 292 O SER A 20 10.448 3.620 -9.574 1.00 0.75 O ATOM 293 CB SER A 20 10.458 3.252 -6.801 1.00 0.75 C ATOM 294 OG SER A 20 10.312 3.494 -5.417 1.00 2.02 O ATOM 0 H SER A 20 8.516 1.696 -6.915 1.00 0.48 H new ATOM 0 HA SER A 20 8.719 4.487 -7.058 1.00 0.54 H new ATOM 0 HB2 SER A 20 10.714 2.207 -6.973 1.00 0.75 H new ATOM 0 HB3 SER A 20 11.276 3.851 -7.202 1.00 0.75 H new ATOM 0 HG SER A 20 9.817 2.754 -5.006 1.00 2.02 H new ATOM 300 N ALA A 21 8.467 4.687 -9.562 1.00 0.75 N ATOM 301 CA ALA A 21 8.345 5.186 -10.922 1.00 0.95 C ATOM 302 C ALA A 21 7.279 6.304 -10.899 1.00 0.98 C ATOM 303 O ALA A 21 7.059 6.928 -9.861 1.00 1.58 O ATOM 304 CB ALA A 21 7.947 3.994 -11.809 1.00 1.06 C ATOM 0 H ALA A 21 7.660 4.975 -9.009 1.00 0.75 H new ATOM 0 HA ALA A 21 9.268 5.607 -11.321 1.00 0.95 H new ATOM 0 HB1 ALA A 21 7.845 4.327 -12.842 1.00 1.06 H new ATOM 0 HB2 ALA A 21 8.716 3.224 -11.751 1.00 1.06 H new ATOM 0 HB3 ALA A 21 6.997 3.585 -11.464 1.00 1.06 H new ATOM 310 N THR A 22 6.602 6.559 -12.021 1.00 0.82 N ATOM 311 CA THR A 22 5.328 7.286 -12.060 1.00 0.85 C ATOM 312 C THR A 22 4.299 6.473 -12.846 1.00 1.60 C ATOM 313 O THR A 22 4.620 5.944 -13.908 1.00 3.42 O ATOM 314 CB THR A 22 5.494 8.695 -12.651 1.00 0.57 C ATOM 315 OG1 THR A 22 6.103 8.674 -13.922 1.00 1.07 O ATOM 316 CG2 THR A 22 6.370 9.568 -11.755 1.00 1.09 C ATOM 0 H THR A 22 6.927 6.263 -12.941 1.00 0.82 H new ATOM 0 HA THR A 22 4.973 7.415 -11.038 1.00 0.85 H new ATOM 0 HB THR A 22 4.485 9.100 -12.729 1.00 0.57 H new ATOM 0 HG1 THR A 22 6.187 9.590 -14.260 1.00 1.07 H new ATOM 0 HG21 THR A 22 6.470 10.559 -12.198 1.00 1.09 H new ATOM 0 HG22 THR A 22 5.910 9.655 -10.771 1.00 1.09 H new ATOM 0 HG23 THR A 22 7.356 9.114 -11.656 1.00 1.09 H new ATOM 324 N ASP A 23 3.078 6.331 -12.312 1.00 0.63 N ATOM 325 CA ASP A 23 1.917 5.644 -12.929 1.00 0.91 C ATOM 326 C ASP A 23 2.095 4.131 -13.225 1.00 1.00 C ATOM 327 O ASP A 23 1.105 3.440 -13.458 1.00 1.19 O ATOM 328 CB ASP A 23 1.467 6.423 -14.180 1.00 1.11 C ATOM 329 CG ASP A 23 0.012 6.168 -14.588 1.00 2.50 C ATOM 330 OD1 ASP A 23 -0.809 5.861 -13.693 1.00 3.73 O ATOM 331 OD2 ASP A 23 -0.289 6.415 -15.777 1.00 3.58 O ATOM 0 H ASP A 23 2.854 6.709 -11.391 1.00 0.63 H new ATOM 0 HA ASP A 23 1.134 5.652 -12.170 1.00 0.91 H new ATOM 0 HB2 ASP A 23 1.600 7.489 -13.998 1.00 1.11 H new ATOM 0 HB3 ASP A 23 2.118 6.158 -15.013 1.00 1.11 H new ATOM 336 N SER A 24 3.310 3.569 -13.139 1.00 1.01 N ATOM 337 CA SER A 24 3.608 2.123 -13.187 1.00 1.00 C ATOM 338 C SER A 24 3.136 1.405 -11.911 1.00 0.95 C ATOM 339 O SER A 24 3.896 0.718 -11.231 1.00 1.54 O ATOM 340 CB SER A 24 5.106 1.883 -13.412 1.00 1.04 C ATOM 341 OG SER A 24 5.506 2.351 -14.684 1.00 1.74 O ATOM 0 H SER A 24 4.153 4.133 -13.029 1.00 1.01 H new ATOM 0 HA SER A 24 3.057 1.704 -14.029 1.00 1.00 H new ATOM 0 HB2 SER A 24 5.680 2.390 -12.636 1.00 1.04 H new ATOM 0 HB3 SER A 24 5.325 0.819 -13.326 1.00 1.04 H new ATOM 0 HG SER A 24 6.465 2.189 -14.805 1.00 1.74 H new ATOM 347 N PHE A 25 1.869 1.605 -11.562 1.00 0.94 N ATOM 348 CA PHE A 25 1.261 1.179 -10.317 1.00 0.85 C ATOM 349 C PHE A 25 0.832 -0.292 -10.370 1.00 0.95 C ATOM 350 O PHE A 25 0.219 -0.736 -11.341 1.00 2.03 O ATOM 351 CB PHE A 25 0.050 2.079 -10.073 1.00 1.11 C ATOM 352 CG PHE A 25 -0.539 1.816 -8.717 1.00 1.27 C ATOM 353 CD1 PHE A 25 0.121 2.323 -7.587 1.00 1.86 C ATOM 354 CD2 PHE A 25 -1.642 0.953 -8.580 1.00 2.20 C ATOM 355 CE1 PHE A 25 -0.287 1.917 -6.313 1.00 2.00 C ATOM 356 CE2 PHE A 25 -2.049 0.549 -7.299 1.00 2.32 C ATOM 357 CZ PHE A 25 -1.337 0.998 -6.171 1.00 1.64 C ATOM 0 H PHE A 25 1.212 2.092 -12.172 1.00 0.94 H new ATOM 0 HA PHE A 25 1.983 1.264 -9.505 1.00 0.85 H new ATOM 0 HB2 PHE A 25 0.346 3.125 -10.150 1.00 1.11 H new ATOM 0 HB3 PHE A 25 -0.702 1.903 -10.842 1.00 1.11 H new ATOM 0 HD1 PHE A 25 0.937 3.021 -7.701 1.00 1.86 H new ATOM 0 HD2 PHE A 25 -2.172 0.604 -9.454 1.00 2.20 H new ATOM 0 HE1 PHE A 25 0.207 2.311 -5.437 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -2.903 -0.102 -7.180 1.00 2.32 H new ATOM 0 HZ PHE A 25 -1.601 0.632 -5.190 1.00 1.64 H new ATOM 367 N ASP A 26 1.158 -1.063 -9.324 1.00 0.57 N ATOM 368 CA ASP A 26 1.253 -2.517 -9.470 1.00 0.57 C ATOM 369 C ASP A 26 0.850 -3.317 -8.215 1.00 0.53 C ATOM 370 O ASP A 26 1.473 -4.332 -7.904 1.00 0.65 O ATOM 371 CB ASP A 26 2.686 -2.835 -9.957 1.00 0.90 C ATOM 372 CG ASP A 26 2.756 -4.013 -10.927 1.00 1.37 C ATOM 373 OD1 ASP A 26 1.719 -4.677 -11.168 1.00 2.09 O ATOM 374 OD2 ASP A 26 3.864 -4.252 -11.454 1.00 2.69 O ATOM 0 H ASP A 26 1.356 -0.712 -8.387 1.00 0.57 H new ATOM 0 HA ASP A 26 0.517 -2.846 -10.204 1.00 0.57 H new ATOM 0 HB2 ASP A 26 3.100 -1.951 -10.442 1.00 0.90 H new ATOM 0 HB3 ASP A 26 3.315 -3.049 -9.093 1.00 0.90 H new ATOM 379 N HIS A 27 -0.155 -2.860 -7.448 1.00 0.54 N ATOM 380 CA HIS A 27 -0.382 -3.318 -6.063 1.00 0.54 C ATOM 381 C HIS A 27 -0.444 -4.838 -5.878 1.00 0.48 C ATOM 382 O HIS A 27 0.102 -5.357 -4.899 1.00 0.46 O ATOM 383 CB HIS A 27 -1.628 -2.667 -5.433 1.00 0.74 C ATOM 384 CG HIS A 27 -1.448 -2.324 -3.971 1.00 2.98 C ATOM 385 ND1 HIS A 27 -0.467 -2.812 -3.133 1.00 4.89 N ATOM 386 CD2 HIS A 27 -2.103 -1.329 -3.296 1.00 4.29 C ATOM 387 CE1 HIS A 27 -0.494 -2.084 -2.003 1.00 6.80 C ATOM 388 NE2 HIS A 27 -1.479 -1.176 -2.056 1.00 6.49 N ATOM 0 H HIS A 27 -0.831 -2.166 -7.767 1.00 0.54 H new ATOM 0 HA HIS A 27 0.513 -2.985 -5.537 1.00 0.54 H new ATOM 0 HB2 HIS A 27 -1.874 -1.760 -5.985 1.00 0.74 H new ATOM 0 HB3 HIS A 27 -2.476 -3.344 -5.539 1.00 0.74 H new ATOM 0 HD1 HIS A 27 0.166 -3.586 -3.335 1.00 4.89 H new ATOM 0 HD2 HIS A 27 -2.950 -0.764 -3.657 1.00 4.29 H new ATOM 0 HE1 HIS A 27 0.182 -2.212 -1.171 1.00 6.80 H new ATOM 396 N LYS A 28 -1.052 -5.555 -6.836 1.00 0.53 N ATOM 397 CA LYS A 28 -1.082 -7.014 -6.846 1.00 0.68 C ATOM 398 C LYS A 28 0.310 -7.640 -6.878 1.00 0.58 C ATOM 399 O LYS A 28 0.542 -8.612 -6.159 1.00 0.65 O ATOM 400 CB LYS A 28 -2.023 -7.553 -7.931 1.00 1.10 C ATOM 401 CG LYS A 28 -1.518 -7.570 -9.380 1.00 1.45 C ATOM 402 CD LYS A 28 -1.413 -6.202 -10.064 1.00 1.89 C ATOM 403 CE LYS A 28 -0.906 -6.413 -11.494 1.00 2.74 C ATOM 404 NZ LYS A 28 -0.677 -5.130 -12.194 1.00 3.70 N ATOM 0 H LYS A 28 -1.537 -5.131 -7.626 1.00 0.53 H new ATOM 0 HA LYS A 28 -1.504 -7.329 -5.892 1.00 0.68 H new ATOM 0 HB2 LYS A 28 -2.295 -8.573 -7.660 1.00 1.10 H new ATOM 0 HB3 LYS A 28 -2.938 -6.961 -7.903 1.00 1.10 H new ATOM 0 HG2 LYS A 28 -0.535 -8.041 -9.397 1.00 1.45 H new ATOM 0 HG3 LYS A 28 -2.183 -8.200 -9.970 1.00 1.45 H new ATOM 0 HD2 LYS A 28 -2.385 -5.708 -10.075 1.00 1.89 H new ATOM 0 HD3 LYS A 28 -0.732 -5.554 -9.512 1.00 1.89 H new ATOM 0 HE2 LYS A 28 0.022 -6.984 -11.469 1.00 2.74 H new ATOM 0 HE3 LYS A 28 -1.630 -7.007 -12.052 1.00 2.74 H new ATOM 0 HZ1 LYS A 28 -0.433 -5.315 -13.188 1.00 3.70 H new ATOM 0 HZ2 LYS A 28 -1.541 -4.552 -12.152 1.00 3.70 H new ATOM 0 HZ3 LYS A 28 0.104 -4.619 -11.735 1.00 3.70 H new ATOM 418 N LYS A 29 1.226 -7.090 -7.688 1.00 0.58 N ATOM 419 CA LYS A 29 2.602 -7.543 -7.830 1.00 0.58 C ATOM 420 C LYS A 29 3.476 -7.020 -6.686 1.00 0.37 C ATOM 421 O LYS A 29 4.358 -7.746 -6.243 1.00 0.32 O ATOM 422 CB LYS A 29 3.131 -7.076 -9.190 1.00 0.81 C ATOM 423 CG LYS A 29 4.286 -7.970 -9.669 1.00 0.98 C ATOM 424 CD LYS A 29 5.168 -7.228 -10.674 1.00 1.33 C ATOM 425 CE LYS A 29 4.556 -7.155 -12.077 1.00 1.68 C ATOM 426 NZ LYS A 29 5.169 -6.050 -12.844 1.00 2.76 N ATOM 0 H LYS A 29 1.013 -6.288 -8.281 1.00 0.58 H new ATOM 0 HA LYS A 29 2.635 -8.631 -7.781 1.00 0.58 H new ATOM 0 HB2 LYS A 29 2.325 -7.094 -9.923 1.00 0.81 H new ATOM 0 HB3 LYS A 29 3.472 -6.043 -9.116 1.00 0.81 H new ATOM 0 HG2 LYS A 29 4.886 -8.285 -8.815 1.00 0.98 H new ATOM 0 HG3 LYS A 29 3.886 -8.874 -10.128 1.00 0.98 H new ATOM 0 HD2 LYS A 29 5.349 -6.216 -10.311 1.00 1.33 H new ATOM 0 HD3 LYS A 29 6.137 -7.724 -10.733 1.00 1.33 H new ATOM 0 HE2 LYS A 29 4.711 -8.099 -12.599 1.00 1.68 H new ATOM 0 HE3 LYS A 29 3.479 -7.004 -12.005 1.00 1.68 H new ATOM 0 HZ1 LYS A 29 5.002 -6.198 -13.860 1.00 2.76 H new ATOM 0 HZ2 LYS A 29 4.745 -5.147 -12.551 1.00 2.76 H new ATOM 0 HZ3 LYS A 29 6.193 -6.027 -12.662 1.00 2.76 H new ATOM 440 N PHE A 30 3.182 -5.828 -6.144 1.00 0.39 N ATOM 441 CA PHE A 30 3.760 -5.331 -4.890 1.00 0.34 C ATOM 442 C PHE A 30 3.580 -6.371 -3.779 1.00 0.30 C ATOM 443 O PHE A 30 4.579 -6.830 -3.233 1.00 0.33 O ATOM 444 CB PHE A 30 3.149 -3.971 -4.516 1.00 0.42 C ATOM 445 CG PHE A 30 3.762 -3.279 -3.311 1.00 0.42 C ATOM 446 CD1 PHE A 30 3.497 -3.730 -2.000 1.00 1.74 C ATOM 447 CD2 PHE A 30 4.584 -2.153 -3.498 1.00 1.72 C ATOM 448 CE1 PHE A 30 4.086 -3.088 -0.897 1.00 1.75 C ATOM 449 CE2 PHE A 30 5.164 -1.506 -2.395 1.00 1.84 C ATOM 450 CZ PHE A 30 4.925 -1.979 -1.096 1.00 0.80 C ATOM 0 H PHE A 30 2.526 -5.174 -6.572 1.00 0.39 H new ATOM 0 HA PHE A 30 4.830 -5.175 -5.024 1.00 0.34 H new ATOM 0 HB2 PHE A 30 3.236 -3.306 -5.376 1.00 0.42 H new ATOM 0 HB3 PHE A 30 2.085 -4.112 -4.328 1.00 0.42 H new ATOM 0 HD1 PHE A 30 2.839 -4.572 -1.844 1.00 1.74 H new ATOM 0 HD2 PHE A 30 4.770 -1.784 -4.496 1.00 1.72 H new ATOM 0 HE1 PHE A 30 3.894 -3.447 0.103 1.00 1.75 H new ATOM 0 HE2 PHE A 30 5.795 -0.643 -2.547 1.00 1.84 H new ATOM 0 HZ PHE A 30 5.386 -1.491 -0.250 1.00 0.80 H new ATOM 460 N PHE A 31 2.335 -6.790 -3.491 1.00 0.34 N ATOM 461 CA PHE A 31 2.035 -7.811 -2.473 1.00 0.39 C ATOM 462 C PHE A 31 2.737 -9.150 -2.709 1.00 0.39 C ATOM 463 O PHE A 31 3.090 -9.830 -1.745 1.00 0.51 O ATOM 464 CB PHE A 31 0.531 -8.069 -2.379 1.00 0.56 C ATOM 465 CG PHE A 31 -0.151 -7.314 -1.256 1.00 0.75 C ATOM 466 CD1 PHE A 31 -0.226 -5.914 -1.292 1.00 1.56 C ATOM 467 CD2 PHE A 31 -0.729 -8.015 -0.182 1.00 2.50 C ATOM 468 CE1 PHE A 31 -0.862 -5.218 -0.250 1.00 1.57 C ATOM 469 CE2 PHE A 31 -1.349 -7.321 0.870 1.00 2.66 C ATOM 470 CZ PHE A 31 -1.420 -5.919 0.834 1.00 1.19 C ATOM 0 H PHE A 31 1.505 -6.428 -3.961 1.00 0.34 H new ATOM 0 HA PHE A 31 2.417 -7.394 -1.541 1.00 0.39 H new ATOM 0 HB2 PHE A 31 0.065 -7.793 -3.325 1.00 0.56 H new ATOM 0 HB3 PHE A 31 0.363 -9.137 -2.240 1.00 0.56 H new ATOM 0 HD1 PHE A 31 0.205 -5.371 -2.120 1.00 1.56 H new ATOM 0 HD2 PHE A 31 -0.696 -9.094 -0.166 1.00 2.50 H new ATOM 0 HE1 PHE A 31 -0.923 -4.140 -0.282 1.00 1.57 H new ATOM 0 HE2 PHE A 31 -1.770 -7.864 1.704 1.00 2.66 H new ATOM 0 HZ PHE A 31 -1.902 -5.380 1.637 1.00 1.19 H new ATOM 480 N GLN A 32 2.920 -9.535 -3.975 1.00 0.32 N ATOM 481 CA GLN A 32 3.667 -10.731 -4.351 1.00 0.34 C ATOM 482 C GLN A 32 5.167 -10.541 -4.067 1.00 0.32 C ATOM 483 O GLN A 32 5.748 -11.329 -3.324 1.00 0.36 O ATOM 484 CB GLN A 32 3.381 -11.066 -5.828 1.00 0.39 C ATOM 485 CG GLN A 32 1.937 -11.563 -6.026 1.00 0.46 C ATOM 486 CD GLN A 32 1.461 -11.488 -7.477 1.00 0.97 C ATOM 487 OE1 GLN A 32 2.080 -11.991 -8.397 1.00 1.94 O ATOM 488 NE2 GLN A 32 0.316 -10.880 -7.722 1.00 0.93 N ATOM 0 H GLN A 32 2.549 -9.018 -4.772 1.00 0.32 H new ATOM 0 HA GLN A 32 3.343 -11.579 -3.748 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.549 -10.181 -6.442 1.00 0.39 H new ATOM 0 HB3 GLN A 32 4.080 -11.829 -6.171 1.00 0.39 H new ATOM 0 HG2 GLN A 32 1.865 -12.595 -5.681 1.00 0.46 H new ATOM 0 HG3 GLN A 32 1.268 -10.971 -5.401 1.00 0.46 H new ATOM 0 HE21 GLN A 32 -0.210 -10.456 -6.958 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -0.043 -10.834 -8.675 1.00 0.93 H new ATOM 497 N MET A 33 5.788 -9.481 -4.601 1.00 0.31 N ATOM 498 CA MET A 33 7.216 -9.178 -4.449 1.00 0.36 C ATOM 499 C MET A 33 7.654 -8.904 -3.002 1.00 0.39 C ATOM 500 O MET A 33 8.744 -9.320 -2.621 1.00 0.51 O ATOM 501 CB MET A 33 7.594 -7.984 -5.338 1.00 0.41 C ATOM 502 CG MET A 33 7.710 -8.384 -6.812 1.00 0.53 C ATOM 503 SD MET A 33 8.465 -7.105 -7.852 1.00 1.56 S ATOM 504 CE MET A 33 8.842 -8.091 -9.323 1.00 1.59 C ATOM 0 H MET A 33 5.295 -8.790 -5.167 1.00 0.31 H new ATOM 0 HA MET A 33 7.747 -10.078 -4.760 1.00 0.36 H new ATOM 0 HB2 MET A 33 6.843 -7.201 -5.232 1.00 0.41 H new ATOM 0 HB3 MET A 33 8.542 -7.565 -5.000 1.00 0.41 H new ATOM 0 HG2 MET A 33 8.300 -9.297 -6.887 1.00 0.53 H new ATOM 0 HG3 MET A 33 6.717 -8.614 -7.197 1.00 0.53 H new ATOM 0 HE1 MET A 33 9.132 -7.430 -10.140 1.00 1.59 H new ATOM 0 HE2 MET A 33 9.661 -8.775 -9.102 1.00 1.59 H new ATOM 0 HE3 MET A 33 7.960 -8.662 -9.614 1.00 1.59 H new ATOM 514 N VAL A 34 6.817 -8.231 -2.201 1.00 0.33 N ATOM 515 CA VAL A 34 7.021 -8.011 -0.756 1.00 0.36 C ATOM 516 C VAL A 34 6.649 -9.245 0.095 1.00 0.38 C ATOM 517 O VAL A 34 6.850 -9.248 1.309 1.00 0.44 O ATOM 518 CB VAL A 34 6.188 -6.800 -0.308 1.00 0.37 C ATOM 519 CG1 VAL A 34 4.727 -7.146 -0.134 1.00 0.44 C ATOM 520 CG2 VAL A 34 6.700 -6.156 0.990 1.00 0.38 C ATOM 0 H VAL A 34 5.954 -7.811 -2.547 1.00 0.33 H new ATOM 0 HA VAL A 34 8.084 -7.826 -0.598 1.00 0.36 H new ATOM 0 HB VAL A 34 6.298 -6.077 -1.116 1.00 0.37 H new ATOM 0 HG11 VAL A 34 4.178 -6.259 0.183 1.00 0.44 H new ATOM 0 HG12 VAL A 34 4.323 -7.504 -1.081 1.00 0.44 H new ATOM 0 HG13 VAL A 34 4.625 -7.925 0.621 1.00 0.44 H new ATOM 0 HG21 VAL A 34 6.067 -5.307 1.249 1.00 0.38 H new ATOM 0 HG22 VAL A 34 6.672 -6.889 1.796 1.00 0.38 H new ATOM 0 HG23 VAL A 34 7.725 -5.814 0.847 1.00 0.38 H new ATOM 530 N GLY A 35 6.046 -10.277 -0.510 1.00 0.40 N ATOM 531 CA GLY A 35 5.634 -11.494 0.182 1.00 0.51 C ATOM 532 C GLY A 35 4.439 -11.354 1.136 1.00 0.52 C ATOM 533 O GLY A 35 4.167 -12.295 1.867 1.00 0.61 O ATOM 0 H GLY A 35 5.830 -10.285 -1.507 1.00 0.40 H new ATOM 0 HA2 GLY A 35 5.390 -12.249 -0.566 1.00 0.51 H new ATOM 0 HA3 GLY A 35 6.485 -11.871 0.750 1.00 0.51 H new ATOM 537 N LEU A 36 3.709 -10.233 1.144 1.00 0.51 N ATOM 538 CA LEU A 36 2.579 -9.935 2.039 1.00 0.55 C ATOM 539 C LEU A 36 1.530 -11.048 2.081 1.00 0.60 C ATOM 540 O LEU A 36 1.238 -11.589 3.140 1.00 0.61 O ATOM 541 CB LEU A 36 1.911 -8.618 1.607 1.00 0.55 C ATOM 542 CG LEU A 36 2.443 -7.393 2.351 1.00 0.70 C ATOM 543 CD1 LEU A 36 2.017 -6.076 1.692 1.00 0.62 C ATOM 544 CD2 LEU A 36 1.908 -7.389 3.763 1.00 1.00 C ATOM 0 H LEU A 36 3.898 -9.469 0.495 1.00 0.51 H new ATOM 0 HA LEU A 36 2.990 -9.849 3.045 1.00 0.55 H new ATOM 0 HB2 LEU A 36 2.062 -8.477 0.537 1.00 0.55 H new ATOM 0 HB3 LEU A 36 0.836 -8.694 1.770 1.00 0.55 H new ATOM 0 HG LEU A 36 3.531 -7.460 2.330 1.00 0.70 H new ATOM 0 HD11 LEU A 36 2.421 -5.238 2.260 1.00 0.62 H new ATOM 0 HD12 LEU A 36 2.398 -6.040 0.671 1.00 0.62 H new ATOM 0 HD13 LEU A 36 0.929 -6.012 1.676 1.00 0.62 H new ATOM 0 HD21 LEU A 36 2.287 -6.516 4.293 1.00 1.00 H new ATOM 0 HD22 LEU A 36 0.819 -7.354 3.739 1.00 1.00 H new ATOM 0 HD23 LEU A 36 2.231 -8.294 4.277 1.00 1.00 H new ATOM 556 N LYS A 37 1.001 -11.422 0.915 1.00 0.63 N ATOM 557 CA LYS A 37 0.143 -12.620 0.718 1.00 0.72 C ATOM 558 C LYS A 37 0.707 -13.940 1.305 1.00 0.70 C ATOM 559 O LYS A 37 -0.062 -14.883 1.466 1.00 0.75 O ATOM 560 CB LYS A 37 -0.172 -12.839 -0.779 1.00 0.87 C ATOM 561 CG LYS A 37 -1.524 -12.237 -1.187 1.00 0.80 C ATOM 562 CD LYS A 37 -2.021 -12.710 -2.565 1.00 0.89 C ATOM 563 CE LYS A 37 -1.008 -12.523 -3.702 1.00 0.71 C ATOM 564 NZ LYS A 37 -1.613 -12.839 -5.019 1.00 1.07 N ATOM 0 H LYS A 37 1.153 -10.897 0.054 1.00 0.63 H new ATOM 0 HA LYS A 37 -0.762 -12.390 1.280 1.00 0.72 H new ATOM 0 HB2 LYS A 37 0.618 -12.393 -1.383 1.00 0.87 H new ATOM 0 HB3 LYS A 37 -0.173 -13.907 -0.995 1.00 0.87 H new ATOM 0 HG2 LYS A 37 -2.269 -12.495 -0.434 1.00 0.80 H new ATOM 0 HG3 LYS A 37 -1.441 -11.150 -1.194 1.00 0.80 H new ATOM 0 HD2 LYS A 37 -2.285 -13.766 -2.500 1.00 0.89 H new ATOM 0 HD3 LYS A 37 -2.933 -12.168 -2.815 1.00 0.89 H new ATOM 0 HE2 LYS A 37 -0.645 -11.495 -3.703 1.00 0.71 H new ATOM 0 HE3 LYS A 37 -0.144 -13.166 -3.532 1.00 0.71 H new ATOM 0 HZ1 LYS A 37 -0.861 -12.953 -5.728 1.00 1.07 H new ATOM 0 HZ2 LYS A 37 -2.158 -13.722 -4.948 1.00 1.07 H new ATOM 0 HZ3 LYS A 37 -2.245 -12.064 -5.306 1.00 1.07 H new ATOM 578 N LYS A 38 2.011 -14.034 1.616 1.00 0.68 N ATOM 579 CA LYS A 38 2.677 -15.177 2.278 1.00 0.70 C ATOM 580 C LYS A 38 2.754 -15.010 3.812 1.00 0.62 C ATOM 581 O LYS A 38 3.258 -15.893 4.503 1.00 0.87 O ATOM 582 CB LYS A 38 4.036 -15.461 1.575 1.00 0.77 C ATOM 583 CG LYS A 38 5.337 -15.163 2.355 1.00 1.46 C ATOM 584 CD LYS A 38 6.543 -14.972 1.414 1.00 1.38 C ATOM 585 CE LYS A 38 7.826 -14.697 2.211 1.00 1.90 C ATOM 586 NZ LYS A 38 8.949 -14.242 1.352 1.00 2.70 N ATOM 0 H LYS A 38 2.664 -13.280 1.404 1.00 0.68 H new ATOM 0 HA LYS A 38 2.070 -16.074 2.158 1.00 0.70 H new ATOM 0 HB2 LYS A 38 4.051 -16.513 1.292 1.00 0.77 H new ATOM 0 HB3 LYS A 38 4.061 -14.882 0.652 1.00 0.77 H new ATOM 0 HG2 LYS A 38 5.201 -14.265 2.957 1.00 1.46 H new ATOM 0 HG3 LYS A 38 5.542 -15.981 3.045 1.00 1.46 H new ATOM 0 HD2 LYS A 38 6.675 -15.864 0.802 1.00 1.38 H new ATOM 0 HD3 LYS A 38 6.349 -14.143 0.733 1.00 1.38 H new ATOM 0 HE2 LYS A 38 7.623 -13.939 2.968 1.00 1.90 H new ATOM 0 HE3 LYS A 38 8.122 -15.604 2.739 1.00 1.90 H new ATOM 0 HZ1 LYS A 38 9.817 -14.748 1.619 1.00 2.70 H new ATOM 0 HZ2 LYS A 38 8.726 -14.439 0.356 1.00 2.70 H new ATOM 0 HZ3 LYS A 38 9.091 -13.220 1.479 1.00 2.70 H new ATOM 600 N LYS A 39 2.242 -13.891 4.344 1.00 0.48 N ATOM 601 CA LYS A 39 2.076 -13.555 5.763 1.00 0.44 C ATOM 602 C LYS A 39 0.587 -13.653 6.144 1.00 0.35 C ATOM 603 O LYS A 39 -0.286 -13.737 5.282 1.00 0.30 O ATOM 604 CB LYS A 39 2.627 -12.132 6.029 1.00 0.45 C ATOM 605 CG LYS A 39 4.036 -11.857 5.463 1.00 0.98 C ATOM 606 CD LYS A 39 5.137 -12.560 6.265 1.00 0.68 C ATOM 607 CE LYS A 39 6.364 -12.890 5.410 1.00 1.71 C ATOM 608 NZ LYS A 39 7.580 -13.032 6.249 1.00 2.12 N ATOM 0 H LYS A 39 1.907 -13.138 3.744 1.00 0.48 H new ATOM 0 HA LYS A 39 2.636 -14.259 6.379 1.00 0.44 H new ATOM 0 HB2 LYS A 39 1.934 -11.406 5.604 1.00 0.45 H new ATOM 0 HB3 LYS A 39 2.646 -11.962 7.106 1.00 0.45 H new ATOM 0 HG2 LYS A 39 4.079 -12.188 4.425 1.00 0.98 H new ATOM 0 HG3 LYS A 39 4.221 -10.783 5.462 1.00 0.98 H new ATOM 0 HD2 LYS A 39 5.438 -11.924 7.097 1.00 0.68 H new ATOM 0 HD3 LYS A 39 4.739 -13.480 6.694 1.00 0.68 H new ATOM 0 HE2 LYS A 39 6.189 -13.814 4.859 1.00 1.71 H new ATOM 0 HE3 LYS A 39 6.518 -12.103 4.672 1.00 1.71 H new ATOM 0 HZ1 LYS A 39 8.186 -13.782 5.858 1.00 2.12 H new ATOM 0 HZ2 LYS A 39 8.103 -12.133 6.257 1.00 2.12 H new ATOM 0 HZ3 LYS A 39 7.304 -13.281 7.220 1.00 2.12 H new ATOM 622 N SER A 40 0.290 -13.672 7.445 1.00 0.43 N ATOM 623 CA SER A 40 -1.061 -13.928 7.967 1.00 0.47 C ATOM 624 C SER A 40 -2.032 -12.747 7.779 1.00 0.48 C ATOM 625 O SER A 40 -1.622 -11.592 7.677 1.00 0.47 O ATOM 626 CB SER A 40 -0.958 -14.269 9.461 1.00 0.60 C ATOM 627 OG SER A 40 -0.069 -15.352 9.648 1.00 1.52 O ATOM 0 H SER A 40 0.984 -13.509 8.175 1.00 0.43 H new ATOM 0 HA SER A 40 -1.472 -14.759 7.394 1.00 0.47 H new ATOM 0 HB2 SER A 40 -0.608 -13.400 10.018 1.00 0.60 H new ATOM 0 HB3 SER A 40 -1.943 -14.524 9.853 1.00 0.60 H new ATOM 0 HG SER A 40 -0.007 -15.563 10.603 1.00 1.52 H new ATOM 633 N ALA A 41 -3.343 -13.005 7.874 1.00 0.54 N ATOM 634 CA ALA A 41 -4.362 -11.947 7.943 1.00 0.56 C ATOM 635 C ALA A 41 -4.095 -10.961 9.092 1.00 0.55 C ATOM 636 O ALA A 41 -4.208 -9.743 8.938 1.00 0.50 O ATOM 637 CB ALA A 41 -5.735 -12.595 8.133 1.00 0.68 C ATOM 0 H ALA A 41 -3.727 -13.949 7.905 1.00 0.54 H new ATOM 0 HA ALA A 41 -4.327 -11.381 7.012 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -6.499 -11.820 8.186 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -5.945 -13.255 7.292 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -5.740 -13.173 9.057 1.00 0.68 H new ATOM 643 N ASP A 42 -3.696 -11.493 10.252 1.00 0.63 N ATOM 644 CA ASP A 42 -3.308 -10.678 11.391 1.00 0.65 C ATOM 645 C ASP A 42 -2.019 -9.880 11.167 1.00 0.59 C ATOM 646 O ASP A 42 -1.857 -8.863 11.833 1.00 0.68 O ATOM 647 CB ASP A 42 -3.211 -11.534 12.657 1.00 0.84 C ATOM 648 CG ASP A 42 -4.610 -11.699 13.238 1.00 2.04 C ATOM 649 OD1 ASP A 42 -5.070 -10.716 13.869 1.00 2.64 O ATOM 650 OD2 ASP A 42 -5.242 -12.737 12.963 1.00 3.43 O ATOM 0 H ASP A 42 -3.636 -12.497 10.420 1.00 0.63 H new ATOM 0 HA ASP A 42 -4.097 -9.937 11.519 1.00 0.65 H new ATOM 0 HB2 ASP A 42 -2.781 -12.508 12.424 1.00 0.84 H new ATOM 0 HB3 ASP A 42 -2.552 -11.060 13.385 1.00 0.84 H new ATOM 655 N ASP A 43 -1.143 -10.275 10.235 1.00 0.55 N ATOM 656 CA ASP A 43 -0.025 -9.456 9.770 1.00 0.50 C ATOM 657 C ASP A 43 -0.559 -8.283 8.944 1.00 0.46 C ATOM 658 O ASP A 43 -0.288 -7.138 9.296 1.00 0.50 O ATOM 659 CB ASP A 43 0.976 -10.302 8.969 1.00 0.47 C ATOM 660 CG ASP A 43 2.245 -9.508 8.684 1.00 1.01 C ATOM 661 OD1 ASP A 43 3.119 -9.520 9.572 1.00 1.56 O ATOM 662 OD2 ASP A 43 2.306 -8.890 7.601 1.00 2.34 O ATOM 0 H ASP A 43 -1.195 -11.186 9.779 1.00 0.55 H new ATOM 0 HA ASP A 43 0.510 -9.056 10.631 1.00 0.50 H new ATOM 0 HB2 ASP A 43 1.224 -11.206 9.526 1.00 0.47 H new ATOM 0 HB3 ASP A 43 0.522 -10.620 8.031 1.00 0.47 H new ATOM 667 N VAL A 44 -1.406 -8.552 7.935 1.00 0.43 N ATOM 668 CA VAL A 44 -2.102 -7.571 7.084 1.00 0.45 C ATOM 669 C VAL A 44 -2.768 -6.450 7.902 1.00 0.42 C ATOM 670 O VAL A 44 -2.711 -5.277 7.529 1.00 0.46 O ATOM 671 CB VAL A 44 -3.037 -8.340 6.118 1.00 0.51 C ATOM 672 CG1 VAL A 44 -4.342 -7.627 5.773 1.00 0.83 C ATOM 673 CG2 VAL A 44 -2.286 -8.664 4.821 1.00 0.67 C ATOM 0 H VAL A 44 -1.636 -9.512 7.677 1.00 0.43 H new ATOM 0 HA VAL A 44 -1.388 -7.022 6.470 1.00 0.45 H new ATOM 0 HB VAL A 44 -3.324 -9.243 6.656 1.00 0.51 H new ATOM 0 HG11 VAL A 44 -4.926 -8.246 5.092 1.00 0.83 H new ATOM 0 HG12 VAL A 44 -4.913 -7.453 6.685 1.00 0.83 H new ATOM 0 HG13 VAL A 44 -4.120 -6.673 5.296 1.00 0.83 H new ATOM 0 HG21 VAL A 44 -2.947 -9.205 4.144 1.00 0.67 H new ATOM 0 HG22 VAL A 44 -1.961 -7.738 4.348 1.00 0.67 H new ATOM 0 HG23 VAL A 44 -1.416 -9.280 5.048 1.00 0.67 H new ATOM 683 N LYS A 45 -3.283 -6.784 9.086 1.00 0.40 N ATOM 684 CA LYS A 45 -3.726 -5.859 10.126 1.00 0.47 C ATOM 685 C LYS A 45 -2.673 -4.812 10.532 1.00 0.50 C ATOM 686 O LYS A 45 -2.990 -3.624 10.552 1.00 0.69 O ATOM 687 CB LYS A 45 -4.240 -6.698 11.306 1.00 0.55 C ATOM 688 CG LYS A 45 -5.617 -6.193 11.728 1.00 1.10 C ATOM 689 CD LYS A 45 -6.251 -7.086 12.810 1.00 1.59 C ATOM 690 CE LYS A 45 -6.881 -8.341 12.184 1.00 2.35 C ATOM 691 NZ LYS A 45 -7.244 -9.354 13.204 1.00 3.62 N ATOM 0 H LYS A 45 -3.408 -7.759 9.358 1.00 0.40 H new ATOM 0 HA LYS A 45 -4.533 -5.242 9.731 1.00 0.47 H new ATOM 0 HB2 LYS A 45 -4.298 -7.749 11.021 1.00 0.55 H new ATOM 0 HB3 LYS A 45 -3.545 -6.632 12.143 1.00 0.55 H new ATOM 0 HG2 LYS A 45 -5.530 -5.174 12.104 1.00 1.10 H new ATOM 0 HG3 LYS A 45 -6.272 -6.157 10.858 1.00 1.10 H new ATOM 0 HD2 LYS A 45 -5.493 -7.378 13.536 1.00 1.59 H new ATOM 0 HD3 LYS A 45 -7.012 -6.524 13.352 1.00 1.59 H new ATOM 0 HE2 LYS A 45 -7.772 -8.057 11.623 1.00 2.35 H new ATOM 0 HE3 LYS A 45 -6.182 -8.779 11.472 1.00 2.35 H new ATOM 0 HZ1 LYS A 45 -7.771 -10.128 12.752 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -6.379 -9.732 13.641 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -7.837 -8.913 13.936 1.00 3.62 H new ATOM 705 N LYS A 46 -1.427 -5.221 10.821 1.00 0.36 N ATOM 706 CA LYS A 46 -0.283 -4.323 11.082 1.00 0.35 C ATOM 707 C LYS A 46 0.224 -3.608 9.823 1.00 0.38 C ATOM 708 O LYS A 46 0.820 -2.538 9.966 1.00 0.45 O ATOM 709 CB LYS A 46 0.909 -5.074 11.716 1.00 0.42 C ATOM 710 CG LYS A 46 0.701 -5.490 13.182 1.00 0.81 C ATOM 711 CD LYS A 46 0.116 -6.893 13.360 1.00 1.31 C ATOM 712 CE LYS A 46 -1.110 -6.881 14.282 1.00 1.83 C ATOM 713 NZ LYS A 46 -1.652 -8.247 14.454 1.00 2.33 N ATOM 0 H LYS A 46 -1.178 -6.208 10.882 1.00 0.36 H new ATOM 0 HA LYS A 46 -0.671 -3.579 11.778 1.00 0.35 H new ATOM 0 HB2 LYS A 46 1.114 -5.967 11.125 1.00 0.42 H new ATOM 0 HB3 LYS A 46 1.794 -4.441 11.654 1.00 0.42 H new ATOM 0 HG2 LYS A 46 1.658 -5.439 13.701 1.00 0.81 H new ATOM 0 HG3 LYS A 46 0.039 -4.769 13.662 1.00 0.81 H new ATOM 0 HD2 LYS A 46 -0.164 -7.297 12.387 1.00 1.31 H new ATOM 0 HD3 LYS A 46 0.877 -7.555 13.774 1.00 1.31 H new ATOM 0 HE2 LYS A 46 -0.836 -6.469 15.253 1.00 1.83 H new ATOM 0 HE3 LYS A 46 -1.878 -6.230 13.864 1.00 1.83 H new ATOM 0 HZ1 LYS A 46 -2.405 -8.234 15.172 1.00 2.33 H new ATOM 0 HZ2 LYS A 46 -2.042 -8.582 13.550 1.00 2.33 H new ATOM 0 HZ3 LYS A 46 -0.891 -8.886 14.762 1.00 2.33 H new ATOM 727 N VAL A 47 0.020 -4.181 8.628 1.00 0.41 N ATOM 728 CA VAL A 47 0.430 -3.621 7.324 1.00 0.40 C ATOM 729 C VAL A 47 -0.279 -2.284 7.114 1.00 0.33 C ATOM 730 O VAL A 47 0.384 -1.247 7.109 1.00 0.30 O ATOM 731 CB VAL A 47 0.198 -4.629 6.169 1.00 0.54 C ATOM 732 CG1 VAL A 47 0.664 -4.191 4.771 1.00 0.48 C ATOM 733 CG2 VAL A 47 0.962 -5.923 6.455 1.00 0.74 C ATOM 0 H VAL A 47 -0.452 -5.080 8.535 1.00 0.41 H new ATOM 0 HA VAL A 47 1.504 -3.435 7.324 1.00 0.40 H new ATOM 0 HB VAL A 47 -0.887 -4.731 6.143 1.00 0.54 H new ATOM 0 HG11 VAL A 47 0.447 -4.980 4.051 1.00 0.48 H new ATOM 0 HG12 VAL A 47 0.139 -3.281 4.481 1.00 0.48 H new ATOM 0 HG13 VAL A 47 1.737 -4.001 4.788 1.00 0.48 H new ATOM 0 HG21 VAL A 47 0.797 -6.630 5.642 1.00 0.74 H new ATOM 0 HG22 VAL A 47 2.027 -5.706 6.537 1.00 0.74 H new ATOM 0 HG23 VAL A 47 0.607 -6.356 7.390 1.00 0.74 H new ATOM 743 N PHE A 48 -1.622 -2.277 7.067 1.00 0.42 N ATOM 744 CA PHE A 48 -2.429 -1.056 7.030 1.00 0.52 C ATOM 745 C PHE A 48 -2.059 -0.019 8.099 1.00 0.49 C ATOM 746 O PHE A 48 -1.984 1.177 7.816 1.00 0.57 O ATOM 747 CB PHE A 48 -3.873 -1.496 7.241 1.00 0.74 C ATOM 748 CG PHE A 48 -4.916 -0.415 7.066 1.00 0.65 C ATOM 749 CD1 PHE A 48 -4.964 0.352 5.886 1.00 1.83 C ATOM 750 CD2 PHE A 48 -5.905 -0.249 8.053 1.00 2.18 C ATOM 751 CE1 PHE A 48 -6.007 1.267 5.694 1.00 1.89 C ATOM 752 CE2 PHE A 48 -6.967 0.640 7.839 1.00 2.15 C ATOM 753 CZ PHE A 48 -7.016 1.398 6.658 1.00 0.76 C ATOM 0 H PHE A 48 -2.179 -3.131 7.054 1.00 0.42 H new ATOM 0 HA PHE A 48 -2.257 -0.560 6.075 1.00 0.52 H new ATOM 0 HB2 PHE A 48 -4.093 -2.305 6.545 1.00 0.74 H new ATOM 0 HB3 PHE A 48 -3.966 -1.907 8.246 1.00 0.74 H new ATOM 0 HD1 PHE A 48 -4.200 0.235 5.132 1.00 1.83 H new ATOM 0 HD2 PHE A 48 -5.846 -0.807 8.976 1.00 2.18 H new ATOM 0 HE1 PHE A 48 -6.034 1.873 4.801 1.00 1.89 H new ATOM 0 HE2 PHE A 48 -7.746 0.742 8.580 1.00 2.15 H new ATOM 0 HZ PHE A 48 -7.834 2.084 6.492 1.00 0.76 H new ATOM 763 N HIS A 49 -1.793 -0.497 9.321 1.00 0.45 N ATOM 764 CA HIS A 49 -1.506 0.298 10.513 1.00 0.57 C ATOM 765 C HIS A 49 -0.197 1.106 10.454 1.00 0.72 C ATOM 766 O HIS A 49 0.071 1.878 11.375 1.00 1.24 O ATOM 767 CB HIS A 49 -1.518 -0.643 11.734 1.00 0.60 C ATOM 768 CG HIS A 49 -2.378 -0.175 12.879 1.00 1.11 C ATOM 769 ND1 HIS A 49 -3.619 0.420 12.795 1.00 2.18 N ATOM 770 CD2 HIS A 49 -2.090 -0.348 14.203 1.00 2.56 C ATOM 771 CE1 HIS A 49 -4.048 0.637 14.051 1.00 2.55 C ATOM 772 NE2 HIS A 49 -3.131 0.216 14.941 1.00 2.76 N ATOM 0 H HIS A 49 -1.772 -1.499 9.510 1.00 0.45 H new ATOM 0 HA HIS A 49 -2.285 1.057 10.588 1.00 0.57 H new ATOM 0 HB2 HIS A 49 -1.864 -1.626 11.415 1.00 0.60 H new ATOM 0 HB3 HIS A 49 -0.496 -0.766 12.091 1.00 0.60 H new ATOM 0 HD2 HIS A 49 -1.214 -0.834 14.606 1.00 2.56 H new ATOM 0 HE1 HIS A 49 -4.996 1.086 14.309 1.00 2.55 H new ATOM 0 HE2 HIS A 49 -3.186 0.294 15.957 1.00 2.76 H new ATOM 780 N MET A 50 0.615 0.937 9.400 1.00 0.41 N ATOM 781 CA MET A 50 1.736 1.822 9.074 1.00 0.51 C ATOM 782 C MET A 50 1.354 2.911 8.057 1.00 0.60 C ATOM 783 O MET A 50 1.788 4.056 8.168 1.00 0.81 O ATOM 784 CB MET A 50 2.867 0.970 8.486 1.00 0.60 C ATOM 785 CG MET A 50 4.157 1.782 8.421 1.00 0.96 C ATOM 786 SD MET A 50 4.986 1.983 10.014 1.00 1.16 S ATOM 787 CE MET A 50 6.151 3.291 9.550 1.00 1.92 C ATOM 0 H MET A 50 0.507 0.167 8.740 1.00 0.41 H new ATOM 0 HA MET A 50 2.044 2.326 9.990 1.00 0.51 H new ATOM 0 HB2 MET A 50 3.019 0.081 9.098 1.00 0.60 H new ATOM 0 HB3 MET A 50 2.593 0.627 7.488 1.00 0.60 H new ATOM 0 HG2 MET A 50 4.843 1.298 7.725 1.00 0.96 H new ATOM 0 HG3 MET A 50 3.933 2.768 8.014 1.00 0.96 H new ATOM 0 HE1 MET A 50 6.762 3.557 10.413 1.00 1.92 H new ATOM 0 HE2 MET A 50 6.795 2.936 8.745 1.00 1.92 H new ATOM 0 HE3 MET A 50 5.598 4.168 9.213 1.00 1.92 H new ATOM 797 N LEU A 51 0.589 2.517 7.036 1.00 0.47 N ATOM 798 CA LEU A 51 0.187 3.321 5.882 1.00 0.40 C ATOM 799 C LEU A 51 -0.807 4.415 6.285 1.00 0.40 C ATOM 800 O LEU A 51 -0.683 5.562 5.861 1.00 0.45 O ATOM 801 CB LEU A 51 -0.485 2.378 4.876 1.00 0.49 C ATOM 802 CG LEU A 51 0.285 1.112 4.469 1.00 0.81 C ATOM 803 CD1 LEU A 51 -0.548 0.373 3.421 1.00 1.79 C ATOM 804 CD2 LEU A 51 1.705 1.378 3.971 1.00 2.19 C ATOM 0 H LEU A 51 0.211 1.570 6.991 1.00 0.47 H new ATOM 0 HA LEU A 51 1.064 3.807 5.454 1.00 0.40 H new ATOM 0 HB2 LEU A 51 -1.444 2.070 5.292 1.00 0.49 H new ATOM 0 HB3 LEU A 51 -0.699 2.948 3.971 1.00 0.49 H new ATOM 0 HG LEU A 51 0.424 0.498 5.359 1.00 0.81 H new ATOM 0 HD11 LEU A 51 -0.025 -0.532 3.113 1.00 1.79 H new ATOM 0 HD12 LEU A 51 -1.515 0.106 3.847 1.00 1.79 H new ATOM 0 HD13 LEU A 51 -0.699 1.018 2.555 1.00 1.79 H new ATOM 0 HD21 LEU A 51 2.180 0.434 3.704 1.00 2.19 H new ATOM 0 HD22 LEU A 51 1.668 2.026 3.095 1.00 2.19 H new ATOM 0 HD23 LEU A 51 2.281 1.864 4.758 1.00 2.19 H new ATOM 816 N ASP A 52 -1.795 4.052 7.108 1.00 0.42 N ATOM 817 CA ASP A 52 -2.775 4.968 7.678 1.00 0.54 C ATOM 818 C ASP A 52 -2.127 5.774 8.818 1.00 0.66 C ATOM 819 O ASP A 52 -2.263 5.428 9.988 1.00 1.00 O ATOM 820 CB ASP A 52 -3.995 4.141 8.126 1.00 0.75 C ATOM 821 CG ASP A 52 -5.219 5.018 8.367 1.00 1.01 C ATOM 822 OD1 ASP A 52 -5.543 5.852 7.488 1.00 2.55 O ATOM 823 OD2 ASP A 52 -5.880 4.872 9.411 1.00 1.64 O ATOM 0 H ASP A 52 -1.935 3.085 7.401 1.00 0.42 H new ATOM 0 HA ASP A 52 -3.119 5.700 6.947 1.00 0.54 H new ATOM 0 HB2 ASP A 52 -4.227 3.395 7.366 1.00 0.75 H new ATOM 0 HB3 ASP A 52 -3.751 3.599 9.040 1.00 0.75 H new ATOM 828 N LYS A 53 -1.350 6.815 8.482 1.00 0.55 N ATOM 829 CA LYS A 53 -0.452 7.509 9.428 1.00 0.76 C ATOM 830 C LYS A 53 -1.158 8.195 10.605 1.00 1.05 C ATOM 831 O LYS A 53 -0.572 8.306 11.678 1.00 1.81 O ATOM 832 CB LYS A 53 0.397 8.557 8.695 1.00 0.95 C ATOM 833 CG LYS A 53 1.279 7.973 7.580 1.00 1.04 C ATOM 834 CD LYS A 53 2.106 9.064 6.883 1.00 1.64 C ATOM 835 CE LYS A 53 3.204 9.666 7.771 1.00 2.16 C ATOM 836 NZ LYS A 53 4.239 8.664 8.118 1.00 2.92 N ATOM 0 H LYS A 53 -1.324 7.205 7.540 1.00 0.55 H new ATOM 0 HA LYS A 53 0.166 6.716 9.849 1.00 0.76 H new ATOM 0 HB2 LYS A 53 -0.264 9.310 8.266 1.00 0.95 H new ATOM 0 HB3 LYS A 53 1.033 9.066 9.419 1.00 0.95 H new ATOM 0 HG2 LYS A 53 1.948 7.222 8.000 1.00 1.04 H new ATOM 0 HG3 LYS A 53 0.651 7.467 6.846 1.00 1.04 H new ATOM 0 HD2 LYS A 53 2.564 8.644 5.988 1.00 1.64 H new ATOM 0 HD3 LYS A 53 1.438 9.861 6.555 1.00 1.64 H new ATOM 0 HE2 LYS A 53 3.669 10.506 7.255 1.00 2.16 H new ATOM 0 HE3 LYS A 53 2.758 10.060 8.684 1.00 2.16 H new ATOM 0 HZ1 LYS A 53 5.037 9.138 8.587 1.00 2.92 H new ATOM 0 HZ2 LYS A 53 3.833 7.953 8.760 1.00 2.92 H new ATOM 0 HZ3 LYS A 53 4.574 8.197 7.251 1.00 2.92 H new ATOM 850 N ASP A 54 -2.403 8.637 10.416 1.00 0.77 N ATOM 851 CA ASP A 54 -3.303 9.136 11.470 1.00 0.98 C ATOM 852 C ASP A 54 -3.852 8.017 12.379 1.00 1.03 C ATOM 853 O ASP A 54 -4.413 8.298 13.437 1.00 1.37 O ATOM 854 CB ASP A 54 -4.483 9.874 10.803 1.00 1.14 C ATOM 855 CG ASP A 54 -5.354 8.945 9.950 1.00 1.26 C ATOM 856 OD1 ASP A 54 -5.004 7.780 9.697 1.00 1.69 O ATOM 857 OD2 ASP A 54 -6.429 9.298 9.414 1.00 2.04 O ATOM 0 H ASP A 54 -2.833 8.660 9.491 1.00 0.77 H new ATOM 0 HA ASP A 54 -2.722 9.804 12.106 1.00 0.98 H new ATOM 0 HB2 ASP A 54 -5.099 10.337 11.574 1.00 1.14 H new ATOM 0 HB3 ASP A 54 -4.096 10.679 10.178 1.00 1.14 H new ATOM 862 N LYS A 55 -3.708 6.756 11.946 1.00 0.87 N ATOM 863 CA LYS A 55 -4.251 5.520 12.509 1.00 1.08 C ATOM 864 C LYS A 55 -5.770 5.552 12.755 1.00 1.10 C ATOM 865 O LYS A 55 -6.260 4.869 13.652 1.00 1.66 O ATOM 866 CB LYS A 55 -3.405 5.099 13.724 1.00 1.53 C ATOM 867 CG LYS A 55 -1.896 5.095 13.396 1.00 1.75 C ATOM 868 CD LYS A 55 -1.062 4.427 14.489 1.00 1.80 C ATOM 869 CE LYS A 55 -1.207 2.911 14.366 1.00 2.45 C ATOM 870 NZ LYS A 55 -0.713 2.222 15.577 1.00 3.53 N ATOM 0 H LYS A 55 -3.154 6.562 11.112 1.00 0.87 H new ATOM 0 HA LYS A 55 -4.163 4.733 11.760 1.00 1.08 H new ATOM 0 HB2 LYS A 55 -3.595 5.780 14.553 1.00 1.53 H new ATOM 0 HB3 LYS A 55 -3.709 4.105 14.052 1.00 1.53 H new ATOM 0 HG2 LYS A 55 -1.734 4.576 12.451 1.00 1.75 H new ATOM 0 HG3 LYS A 55 -1.554 6.121 13.259 1.00 1.75 H new ATOM 0 HD2 LYS A 55 -0.015 4.714 14.393 1.00 1.80 H new ATOM 0 HD3 LYS A 55 -1.395 4.759 15.473 1.00 1.80 H new ATOM 0 HE2 LYS A 55 -2.254 2.656 14.202 1.00 2.45 H new ATOM 0 HE3 LYS A 55 -0.654 2.561 13.495 1.00 2.45 H new ATOM 0 HZ1 LYS A 55 0.148 1.686 15.345 1.00 3.53 H new ATOM 0 HZ2 LYS A 55 -0.496 2.925 16.312 1.00 3.53 H new ATOM 0 HZ3 LYS A 55 -1.443 1.569 15.927 1.00 3.53 H new ATOM 884 N SER A 56 -6.523 6.317 11.950 1.00 0.64 N ATOM 885 CA SER A 56 -7.989 6.436 12.057 1.00 0.69 C ATOM 886 C SER A 56 -8.776 5.241 11.492 1.00 0.60 C ATOM 887 O SER A 56 -9.980 5.142 11.721 1.00 0.71 O ATOM 888 CB SER A 56 -8.483 7.734 11.408 1.00 0.91 C ATOM 889 OG SER A 56 -8.223 7.761 10.020 1.00 0.87 O ATOM 0 H SER A 56 -6.128 6.879 11.196 1.00 0.64 H new ATOM 0 HA SER A 56 -8.188 6.449 13.129 1.00 0.69 H new ATOM 0 HB2 SER A 56 -9.554 7.840 11.579 1.00 0.91 H new ATOM 0 HB3 SER A 56 -7.998 8.586 11.885 1.00 0.91 H new ATOM 0 HG SER A 56 -7.763 8.595 9.790 1.00 0.87 H new ATOM 895 N GLY A 57 -8.115 4.324 10.776 1.00 0.58 N ATOM 896 CA GLY A 57 -8.683 3.104 10.205 1.00 0.64 C ATOM 897 C GLY A 57 -9.084 3.220 8.730 1.00 0.53 C ATOM 898 O GLY A 57 -9.726 2.306 8.217 1.00 0.56 O ATOM 0 H GLY A 57 -7.121 4.420 10.571 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -7.957 2.297 10.309 1.00 0.64 H new ATOM 0 HA3 GLY A 57 -9.561 2.820 10.786 1.00 0.64 H new ATOM 902 N PHE A 58 -8.731 4.319 8.049 1.00 0.50 N ATOM 903 CA PHE A 58 -9.166 4.636 6.680 1.00 0.55 C ATOM 904 C PHE A 58 -8.129 5.500 5.954 1.00 0.63 C ATOM 905 O PHE A 58 -8.005 6.684 6.272 1.00 1.01 O ATOM 906 CB PHE A 58 -10.507 5.389 6.727 1.00 0.60 C ATOM 907 CG PHE A 58 -11.671 4.603 7.296 1.00 0.60 C ATOM 908 CD1 PHE A 58 -12.406 3.736 6.464 1.00 1.92 C ATOM 909 CD2 PHE A 58 -12.005 4.712 8.661 1.00 1.82 C ATOM 910 CE1 PHE A 58 -13.468 2.982 6.992 1.00 2.23 C ATOM 911 CE2 PHE A 58 -13.061 3.949 9.190 1.00 1.80 C ATOM 912 CZ PHE A 58 -13.792 3.085 8.357 1.00 1.26 C ATOM 0 H PHE A 58 -8.118 5.032 8.445 1.00 0.50 H new ATOM 0 HA PHE A 58 -9.279 3.699 6.135 1.00 0.55 H new ATOM 0 HB2 PHE A 58 -10.376 6.294 7.320 1.00 0.60 H new ATOM 0 HB3 PHE A 58 -10.763 5.705 5.716 1.00 0.60 H new ATOM 0 HD1 PHE A 58 -12.153 3.650 5.418 1.00 1.92 H new ATOM 0 HD2 PHE A 58 -11.450 5.382 9.301 1.00 1.82 H new ATOM 0 HE1 PHE A 58 -14.035 2.324 6.350 1.00 2.23 H new ATOM 0 HE2 PHE A 58 -13.311 4.027 10.238 1.00 1.80 H new ATOM 0 HZ PHE A 58 -14.603 2.500 8.765 1.00 1.26 H new ATOM 922 N ILE A 59 -7.388 4.943 4.987 1.00 0.46 N ATOM 923 CA ILE A 59 -6.466 5.739 4.154 1.00 0.46 C ATOM 924 C ILE A 59 -7.276 6.608 3.190 1.00 0.55 C ATOM 925 O ILE A 59 -8.096 6.085 2.431 1.00 0.54 O ATOM 926 CB ILE A 59 -5.497 4.828 3.376 1.00 0.46 C ATOM 927 CG1 ILE A 59 -4.420 4.264 4.314 1.00 0.66 C ATOM 928 CG2 ILE A 59 -4.837 5.525 2.165 1.00 0.68 C ATOM 929 CD1 ILE A 59 -3.636 3.126 3.651 1.00 0.85 C ATOM 0 H ILE A 59 -7.406 3.949 4.760 1.00 0.46 H new ATOM 0 HA ILE A 59 -5.868 6.379 4.803 1.00 0.46 H new ATOM 0 HB ILE A 59 -6.100 4.013 2.975 1.00 0.46 H new ATOM 0 HG12 ILE A 59 -3.734 5.060 4.602 1.00 0.66 H new ATOM 0 HG13 ILE A 59 -4.887 3.900 5.229 1.00 0.66 H new ATOM 0 HG21 ILE A 59 -4.168 4.826 1.663 1.00 0.68 H new ATOM 0 HG22 ILE A 59 -5.609 5.852 1.468 1.00 0.68 H new ATOM 0 HG23 ILE A 59 -4.268 6.389 2.508 1.00 0.68 H new ATOM 0 HD11 ILE A 59 -2.883 2.751 4.344 1.00 0.85 H new ATOM 0 HD12 ILE A 59 -4.319 2.319 3.387 1.00 0.85 H new ATOM 0 HD13 ILE A 59 -3.148 3.497 2.750 1.00 0.85 H new ATOM 941 N GLU A 60 -6.984 7.908 3.174 1.00 0.62 N ATOM 942 CA GLU A 60 -7.527 8.878 2.220 1.00 0.52 C ATOM 943 C GLU A 60 -6.407 9.619 1.462 1.00 0.52 C ATOM 944 O GLU A 60 -5.221 9.342 1.658 1.00 0.42 O ATOM 945 CB GLU A 60 -8.567 9.802 2.881 1.00 0.67 C ATOM 946 CG GLU A 60 -8.152 10.511 4.184 1.00 1.38 C ATOM 947 CD GLU A 60 -8.900 9.974 5.426 1.00 1.13 C ATOM 948 OE1 GLU A 60 -10.133 9.722 5.362 1.00 1.86 O ATOM 949 OE2 GLU A 60 -8.223 9.794 6.461 1.00 1.38 O ATOM 0 H GLU A 60 -6.343 8.330 3.846 1.00 0.62 H new ATOM 0 HA GLU A 60 -8.077 8.333 1.453 1.00 0.52 H new ATOM 0 HB2 GLU A 60 -8.849 10.566 2.156 1.00 0.67 H new ATOM 0 HB3 GLU A 60 -9.460 9.212 3.087 1.00 0.67 H new ATOM 0 HG2 GLU A 60 -7.079 10.390 4.332 1.00 1.38 H new ATOM 0 HG3 GLU A 60 -8.341 11.580 4.086 1.00 1.38 H new ATOM 956 N GLU A 61 -6.784 10.518 0.540 1.00 0.63 N ATOM 957 CA GLU A 61 -5.896 11.128 -0.463 1.00 0.62 C ATOM 958 C GLU A 61 -4.609 11.751 0.106 1.00 0.56 C ATOM 959 O GLU A 61 -3.562 11.673 -0.538 1.00 0.53 O ATOM 960 CB GLU A 61 -6.688 12.104 -1.349 1.00 0.78 C ATOM 961 CG GLU A 61 -7.231 13.341 -0.620 1.00 1.57 C ATOM 962 CD GLU A 61 -8.243 14.080 -1.503 1.00 2.02 C ATOM 963 OE1 GLU A 61 -7.799 14.874 -2.363 1.00 2.36 O ATOM 964 OE2 GLU A 61 -9.454 13.825 -1.311 1.00 3.37 O ATOM 0 H GLU A 61 -7.745 10.851 0.469 1.00 0.63 H new ATOM 0 HA GLU A 61 -5.528 10.311 -1.084 1.00 0.62 H new ATOM 0 HB2 GLU A 61 -6.046 12.434 -2.166 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -7.524 11.568 -1.798 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -7.705 13.041 0.315 1.00 1.57 H new ATOM 0 HG3 GLU A 61 -6.409 14.008 -0.361 1.00 1.57 H new ATOM 971 N ASP A 62 -4.677 12.278 1.336 1.00 0.60 N ATOM 972 CA ASP A 62 -3.547 12.780 2.120 1.00 0.64 C ATOM 973 C ASP A 62 -2.416 11.750 2.241 1.00 0.54 C ATOM 974 O ASP A 62 -1.294 12.023 1.818 1.00 0.63 O ATOM 975 CB ASP A 62 -4.057 13.228 3.498 1.00 0.78 C ATOM 976 CG ASP A 62 -2.935 13.830 4.347 1.00 2.07 C ATOM 977 OD1 ASP A 62 -2.612 15.014 4.107 1.00 2.70 O ATOM 978 OD2 ASP A 62 -2.413 13.099 5.218 1.00 3.50 O ATOM 0 H ASP A 62 -5.564 12.369 1.832 1.00 0.60 H new ATOM 0 HA ASP A 62 -3.113 13.634 1.599 1.00 0.64 H new ATOM 0 HB2 ASP A 62 -4.852 13.963 3.371 1.00 0.78 H new ATOM 0 HB3 ASP A 62 -4.492 12.376 4.020 1.00 0.78 H new ATOM 983 N GLU A 63 -2.696 10.555 2.778 1.00 0.50 N ATOM 984 CA GLU A 63 -1.678 9.506 2.874 1.00 0.47 C ATOM 985 C GLU A 63 -1.442 8.858 1.514 1.00 0.40 C ATOM 986 O GLU A 63 -0.309 8.522 1.177 1.00 0.44 O ATOM 987 CB GLU A 63 -2.095 8.403 3.850 1.00 0.61 C ATOM 988 CG GLU A 63 -2.393 8.906 5.270 1.00 0.68 C ATOM 989 CD GLU A 63 -3.853 8.716 5.699 1.00 0.89 C ATOM 990 OE1 GLU A 63 -4.779 8.646 4.855 1.00 2.49 O ATOM 991 OE2 GLU A 63 -4.067 8.585 6.927 1.00 1.26 O ATOM 0 H GLU A 63 -3.610 10.294 3.148 1.00 0.50 H new ATOM 0 HA GLU A 63 -0.768 9.987 3.232 1.00 0.47 H new ATOM 0 HB2 GLU A 63 -2.981 7.902 3.460 1.00 0.61 H new ATOM 0 HB3 GLU A 63 -1.302 7.656 3.899 1.00 0.61 H new ATOM 0 HG2 GLU A 63 -1.746 8.383 5.974 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -2.141 9.965 5.331 1.00 0.68 H new ATOM 998 N LEU A 64 -2.511 8.678 0.730 1.00 0.42 N ATOM 999 CA LEU A 64 -2.503 7.947 -0.531 1.00 0.50 C ATOM 1000 C LEU A 64 -1.514 8.530 -1.555 1.00 0.53 C ATOM 1001 O LEU A 64 -0.977 7.779 -2.364 1.00 0.67 O ATOM 1002 CB LEU A 64 -3.953 7.904 -1.034 1.00 0.69 C ATOM 1003 CG LEU A 64 -4.255 6.772 -2.022 1.00 0.55 C ATOM 1004 CD1 LEU A 64 -5.686 6.260 -1.825 1.00 1.14 C ATOM 1005 CD2 LEU A 64 -4.120 7.243 -3.470 1.00 0.94 C ATOM 0 H LEU A 64 -3.430 9.050 0.967 1.00 0.42 H new ATOM 0 HA LEU A 64 -2.137 6.932 -0.378 1.00 0.50 H new ATOM 0 HB2 LEU A 64 -4.618 7.806 -0.176 1.00 0.69 H new ATOM 0 HB3 LEU A 64 -4.186 8.856 -1.511 1.00 0.69 H new ATOM 0 HG LEU A 64 -3.533 5.979 -1.828 1.00 0.55 H new ATOM 0 HD11 LEU A 64 -5.886 5.456 -2.534 1.00 1.14 H new ATOM 0 HD12 LEU A 64 -5.801 5.884 -0.808 1.00 1.14 H new ATOM 0 HD13 LEU A 64 -6.390 7.075 -1.993 1.00 1.14 H new ATOM 0 HD21 LEU A 64 -4.341 6.415 -4.144 1.00 0.94 H new ATOM 0 HD22 LEU A 64 -4.820 8.058 -3.654 1.00 0.94 H new ATOM 0 HD23 LEU A 64 -3.102 7.592 -3.646 1.00 0.94 H new ATOM 1017 N GLY A 65 -1.192 9.827 -1.468 1.00 0.46 N ATOM 1018 CA GLY A 65 -0.132 10.448 -2.264 1.00 0.53 C ATOM 1019 C GLY A 65 1.306 10.032 -1.899 1.00 0.44 C ATOM 1020 O GLY A 65 2.200 10.235 -2.716 1.00 0.52 O ATOM 0 H GLY A 65 -1.664 10.477 -0.839 1.00 0.46 H new ATOM 0 HA2 GLY A 65 -0.304 10.211 -3.314 1.00 0.53 H new ATOM 0 HA3 GLY A 65 -0.214 11.530 -2.164 1.00 0.53 H new ATOM 1024 N PHE A 66 1.571 9.460 -0.713 1.00 0.40 N ATOM 1025 CA PHE A 66 2.934 9.087 -0.276 1.00 0.42 C ATOM 1026 C PHE A 66 3.006 7.826 0.614 1.00 0.35 C ATOM 1027 O PHE A 66 4.006 7.587 1.288 1.00 0.52 O ATOM 1028 CB PHE A 66 3.646 10.308 0.337 1.00 0.56 C ATOM 1029 CG PHE A 66 3.216 10.747 1.728 1.00 0.52 C ATOM 1030 CD1 PHE A 66 1.982 11.395 1.933 1.00 1.72 C ATOM 1031 CD2 PHE A 66 4.098 10.584 2.816 1.00 1.48 C ATOM 1032 CE1 PHE A 66 1.635 11.870 3.212 1.00 1.78 C ATOM 1033 CE2 PHE A 66 3.753 11.062 4.092 1.00 1.75 C ATOM 1034 CZ PHE A 66 2.520 11.708 4.290 1.00 1.16 C ATOM 0 H PHE A 66 0.848 9.241 -0.027 1.00 0.40 H new ATOM 0 HA PHE A 66 3.478 8.785 -1.171 1.00 0.42 H new ATOM 0 HB2 PHE A 66 4.714 10.094 0.367 1.00 0.56 H new ATOM 0 HB3 PHE A 66 3.509 11.152 -0.339 1.00 0.56 H new ATOM 0 HD1 PHE A 66 1.300 11.528 1.106 1.00 1.72 H new ATOM 0 HD2 PHE A 66 5.046 10.088 2.668 1.00 1.48 H new ATOM 0 HE1 PHE A 66 0.685 12.361 3.365 1.00 1.78 H new ATOM 0 HE2 PHE A 66 4.435 10.933 4.920 1.00 1.75 H new ATOM 0 HZ PHE A 66 2.254 12.079 5.269 1.00 1.16 H new ATOM 1044 N ILE A 67 1.969 6.985 0.578 1.00 0.37 N ATOM 1045 CA ILE A 67 1.724 5.715 1.276 1.00 0.32 C ATOM 1046 C ILE A 67 2.957 4.803 1.380 1.00 0.32 C ATOM 1047 O ILE A 67 3.188 4.195 2.429 1.00 0.34 O ATOM 1048 CB ILE A 67 0.457 5.097 0.625 1.00 0.47 C ATOM 1049 CG1 ILE A 67 0.086 3.709 1.158 1.00 1.07 C ATOM 1050 CG2 ILE A 67 0.477 5.070 -0.908 1.00 1.00 C ATOM 1051 CD1 ILE A 67 0.812 2.547 0.477 1.00 0.59 C ATOM 0 H ILE A 67 1.174 7.208 -0.021 1.00 0.37 H new ATOM 0 HA ILE A 67 1.528 5.878 2.336 1.00 0.32 H new ATOM 0 HB ILE A 67 -0.322 5.794 0.934 1.00 0.47 H new ATOM 0 HG12 ILE A 67 0.299 3.676 2.226 1.00 1.07 H new ATOM 0 HG13 ILE A 67 -0.988 3.566 1.043 1.00 1.07 H new ATOM 0 HG21 ILE A 67 -0.446 4.622 -1.276 1.00 1.00 H new ATOM 0 HG22 ILE A 67 0.564 6.088 -1.289 1.00 1.00 H new ATOM 0 HG23 ILE A 67 1.328 4.481 -1.250 1.00 1.00 H new ATOM 0 HD11 ILE A 67 0.486 1.605 0.919 1.00 0.59 H new ATOM 0 HD12 ILE A 67 0.580 2.547 -0.588 1.00 0.59 H new ATOM 0 HD13 ILE A 67 1.887 2.659 0.614 1.00 0.59 H new ATOM 1063 N LEU A 68 3.806 4.761 0.345 1.00 0.38 N ATOM 1064 CA LEU A 68 5.082 4.041 0.360 1.00 0.45 C ATOM 1065 C LEU A 68 6.001 4.426 1.530 1.00 0.41 C ATOM 1066 O LEU A 68 6.771 3.582 1.986 1.00 0.42 O ATOM 1067 CB LEU A 68 5.816 4.289 -0.963 1.00 0.61 C ATOM 1068 CG LEU A 68 5.264 3.565 -2.190 1.00 0.79 C ATOM 1069 CD1 LEU A 68 6.098 4.017 -3.390 1.00 1.18 C ATOM 1070 CD2 LEU A 68 5.363 2.044 -2.047 1.00 1.64 C ATOM 0 H LEU A 68 3.621 5.234 -0.539 1.00 0.38 H new ATOM 0 HA LEU A 68 4.842 2.986 0.491 1.00 0.45 H new ATOM 0 HB2 LEU A 68 5.805 5.360 -1.164 1.00 0.61 H new ATOM 0 HB3 LEU A 68 6.859 3.999 -0.835 1.00 0.61 H new ATOM 0 HG LEU A 68 4.209 3.809 -2.312 1.00 0.79 H new ATOM 0 HD11 LEU A 68 5.736 3.522 -4.291 1.00 1.18 H new ATOM 0 HD12 LEU A 68 6.010 5.097 -3.508 1.00 1.18 H new ATOM 0 HD13 LEU A 68 7.143 3.754 -3.226 1.00 1.18 H new ATOM 0 HD21 LEU A 68 4.960 1.568 -2.941 1.00 1.64 H new ATOM 0 HD22 LEU A 68 6.407 1.757 -1.923 1.00 1.64 H new ATOM 0 HD23 LEU A 68 4.792 1.723 -1.176 1.00 1.64 H new ATOM 1082 N LYS A 69 5.909 5.664 2.043 1.00 0.42 N ATOM 1083 CA LYS A 69 6.713 6.190 3.157 1.00 0.52 C ATOM 1084 C LYS A 69 6.322 5.564 4.505 1.00 0.57 C ATOM 1085 O LYS A 69 6.959 5.849 5.517 1.00 0.80 O ATOM 1086 CB LYS A 69 6.622 7.733 3.154 1.00 0.73 C ATOM 1087 CG LYS A 69 7.951 8.480 3.349 1.00 0.64 C ATOM 1088 CD LYS A 69 8.551 8.396 4.755 1.00 1.47 C ATOM 1089 CE LYS A 69 9.751 9.345 4.836 1.00 1.50 C ATOM 1090 NZ LYS A 69 10.344 9.370 6.194 1.00 2.50 N ATOM 0 H LYS A 69 5.248 6.351 1.679 1.00 0.42 H new ATOM 0 HA LYS A 69 7.756 5.907 3.014 1.00 0.52 H new ATOM 0 HB2 LYS A 69 6.183 8.051 2.208 1.00 0.73 H new ATOM 0 HB3 LYS A 69 5.935 8.040 3.943 1.00 0.73 H new ATOM 0 HG2 LYS A 69 8.677 8.086 2.638 1.00 0.64 H new ATOM 0 HG3 LYS A 69 7.798 9.530 3.100 1.00 0.64 H new ATOM 0 HD2 LYS A 69 7.804 8.667 5.501 1.00 1.47 H new ATOM 0 HD3 LYS A 69 8.862 7.374 4.972 1.00 1.47 H new ATOM 0 HE2 LYS A 69 10.508 9.036 4.115 1.00 1.50 H new ATOM 0 HE3 LYS A 69 9.438 10.351 4.558 1.00 1.50 H new ATOM 0 HZ1 LYS A 69 11.153 10.024 6.208 1.00 2.50 H new ATOM 0 HZ2 LYS A 69 9.629 9.689 6.879 1.00 2.50 H new ATOM 0 HZ3 LYS A 69 10.666 8.415 6.450 1.00 2.50 H new ATOM 1104 N GLY A 70 5.305 4.693 4.520 1.00 0.47 N ATOM 1105 CA GLY A 70 5.110 3.696 5.564 1.00 0.51 C ATOM 1106 C GLY A 70 5.934 2.437 5.319 1.00 0.63 C ATOM 1107 O GLY A 70 6.674 2.030 6.210 1.00 1.04 O ATOM 0 H GLY A 70 4.588 4.666 3.795 1.00 0.47 H new ATOM 0 HA2 GLY A 70 5.382 4.124 6.529 1.00 0.51 H new ATOM 0 HA3 GLY A 70 4.054 3.432 5.619 1.00 0.51 H new ATOM 1111 N PHE A 71 5.821 1.832 4.131 1.00 0.38 N ATOM 1112 CA PHE A 71 6.566 0.625 3.771 1.00 0.40 C ATOM 1113 C PHE A 71 8.085 0.776 3.938 1.00 0.42 C ATOM 1114 O PHE A 71 8.699 -0.154 4.455 1.00 0.53 O ATOM 1115 CB PHE A 71 6.209 0.163 2.349 1.00 0.39 C ATOM 1116 CG PHE A 71 4.832 -0.462 2.197 1.00 0.48 C ATOM 1117 CD1 PHE A 71 4.538 -1.673 2.852 1.00 2.21 C ATOM 1118 CD2 PHE A 71 3.875 0.105 1.334 1.00 2.00 C ATOM 1119 CE1 PHE A 71 3.295 -2.301 2.656 1.00 2.34 C ATOM 1120 CE2 PHE A 71 2.645 -0.541 1.112 1.00 1.96 C ATOM 1121 CZ PHE A 71 2.348 -1.739 1.783 1.00 0.81 C ATOM 0 H PHE A 71 5.206 2.169 3.390 1.00 0.38 H new ATOM 0 HA PHE A 71 6.259 -0.146 4.477 1.00 0.40 H new ATOM 0 HB2 PHE A 71 6.277 1.019 1.678 1.00 0.39 H new ATOM 0 HB3 PHE A 71 6.956 -0.559 2.021 1.00 0.39 H new ATOM 0 HD1 PHE A 71 5.270 -2.121 3.508 1.00 2.21 H new ATOM 0 HD2 PHE A 71 4.086 1.042 0.839 1.00 2.00 H new ATOM 0 HE1 PHE A 71 3.067 -3.219 3.178 1.00 2.34 H new ATOM 0 HE2 PHE A 71 1.928 -0.115 0.425 1.00 1.96 H new ATOM 0 HZ PHE A 71 1.396 -2.226 1.629 1.00 0.81 H new ATOM 1131 N SER A 72 8.696 1.899 3.518 1.00 0.38 N ATOM 1132 CA SER A 72 10.131 2.161 3.698 1.00 0.38 C ATOM 1133 C SER A 72 10.494 3.599 3.281 1.00 0.39 C ATOM 1134 O SER A 72 9.646 4.301 2.724 1.00 0.44 O ATOM 1135 CB SER A 72 10.911 1.148 2.851 1.00 0.44 C ATOM 1136 OG SER A 72 11.832 0.434 3.649 1.00 0.77 O ATOM 0 H SER A 72 8.202 2.654 3.041 1.00 0.38 H new ATOM 0 HA SER A 72 10.390 2.056 4.752 1.00 0.38 H new ATOM 0 HB2 SER A 72 10.218 0.453 2.377 1.00 0.44 H new ATOM 0 HB3 SER A 72 11.440 1.666 2.051 1.00 0.44 H new ATOM 0 HG SER A 72 12.319 -0.208 3.091 1.00 0.77 H new ATOM 1142 N PRO A 73 11.735 4.078 3.510 1.00 0.41 N ATOM 1143 CA PRO A 73 12.192 5.335 2.929 1.00 0.45 C ATOM 1144 C PRO A 73 12.421 5.230 1.408 1.00 0.54 C ATOM 1145 O PRO A 73 12.334 4.167 0.799 1.00 0.58 O ATOM 1146 CB PRO A 73 13.462 5.699 3.706 1.00 0.48 C ATOM 1147 CG PRO A 73 14.037 4.339 4.086 1.00 0.50 C ATOM 1148 CD PRO A 73 12.792 3.486 4.320 1.00 0.47 C ATOM 0 HA PRO A 73 11.441 6.119 3.021 1.00 0.45 H new ATOM 0 HB2 PRO A 73 14.158 6.274 3.095 1.00 0.48 H new ATOM 0 HB3 PRO A 73 13.237 6.302 4.586 1.00 0.48 H new ATOM 0 HG2 PRO A 73 14.662 3.930 3.292 1.00 0.50 H new ATOM 0 HG3 PRO A 73 14.657 4.400 4.980 1.00 0.50 H new ATOM 0 HD2 PRO A 73 12.970 2.450 4.031 1.00 0.47 H new ATOM 0 HD3 PRO A 73 12.517 3.480 5.375 1.00 0.47 H new ATOM 1156 N ASP A 74 12.679 6.394 0.812 1.00 0.63 N ATOM 1157 CA ASP A 74 12.766 6.697 -0.630 1.00 0.80 C ATOM 1158 C ASP A 74 11.518 6.321 -1.456 1.00 0.61 C ATOM 1159 O ASP A 74 11.555 6.147 -2.670 1.00 0.64 O ATOM 1160 CB ASP A 74 14.098 6.235 -1.255 1.00 1.22 C ATOM 1161 CG ASP A 74 14.427 7.057 -2.511 1.00 2.00 C ATOM 1162 OD1 ASP A 74 13.947 8.205 -2.630 1.00 3.37 O ATOM 1163 OD2 ASP A 74 15.176 6.590 -3.395 1.00 2.30 O ATOM 0 H ASP A 74 12.849 7.230 1.371 1.00 0.63 H new ATOM 0 HA ASP A 74 12.772 7.786 -0.683 1.00 0.80 H new ATOM 0 HB2 ASP A 74 14.902 6.339 -0.526 1.00 1.22 H new ATOM 0 HB3 ASP A 74 14.036 5.178 -1.513 1.00 1.22 H new ATOM 1168 N ALA A 75 10.388 6.267 -0.755 1.00 0.62 N ATOM 1169 CA ALA A 75 9.014 6.164 -1.214 1.00 0.58 C ATOM 1170 C ALA A 75 8.602 7.190 -2.282 1.00 0.76 C ATOM 1171 O ALA A 75 8.076 6.819 -3.328 1.00 1.70 O ATOM 1172 CB ALA A 75 8.206 6.393 0.057 1.00 0.63 C ATOM 0 H ALA A 75 10.423 6.298 0.264 1.00 0.62 H new ATOM 0 HA ALA A 75 8.855 5.204 -1.706 1.00 0.58 H new ATOM 0 HB1 ALA A 75 7.142 6.337 -0.173 1.00 0.63 H new ATOM 0 HB2 ALA A 75 8.459 5.629 0.792 1.00 0.63 H new ATOM 0 HB3 ALA A 75 8.438 7.378 0.463 1.00 0.63 H new ATOM 1178 N ARG A 76 8.835 8.477 -1.983 1.00 0.60 N ATOM 1179 CA ARG A 76 8.447 9.667 -2.762 1.00 0.58 C ATOM 1180 C ARG A 76 6.927 9.858 -2.882 1.00 0.52 C ATOM 1181 O ARG A 76 6.121 9.092 -2.350 1.00 0.66 O ATOM 1182 CB ARG A 76 9.164 9.705 -4.136 1.00 0.68 C ATOM 1183 CG ARG A 76 10.608 9.197 -4.034 1.00 0.83 C ATOM 1184 CD ARG A 76 11.521 9.556 -5.206 1.00 0.97 C ATOM 1185 NE ARG A 76 12.875 9.033 -4.947 1.00 1.37 N ATOM 1186 CZ ARG A 76 13.969 9.127 -5.684 1.00 1.99 C ATOM 1187 NH1 ARG A 76 13.989 9.818 -6.800 1.00 2.37 N ATOM 1188 NH2 ARG A 76 15.070 8.525 -5.302 1.00 2.94 N ATOM 0 H ARG A 76 9.334 8.734 -1.131 1.00 0.60 H new ATOM 0 HA ARG A 76 8.792 10.529 -2.191 1.00 0.58 H new ATOM 0 HB2 ARG A 76 8.613 9.095 -4.852 1.00 0.68 H new ATOM 0 HB3 ARG A 76 9.163 10.725 -4.519 1.00 0.68 H new ATOM 0 HG2 ARG A 76 11.049 9.593 -3.119 1.00 0.83 H new ATOM 0 HG3 ARG A 76 10.586 8.112 -3.934 1.00 0.83 H new ATOM 0 HD2 ARG A 76 11.127 9.135 -6.131 1.00 0.97 H new ATOM 0 HD3 ARG A 76 11.555 10.638 -5.337 1.00 0.97 H new ATOM 0 HE ARG A 76 12.984 8.524 -4.070 1.00 1.37 H new ATOM 0 HH11 ARG A 76 13.147 10.299 -7.117 1.00 2.37 H new ATOM 0 HH12 ARG A 76 14.846 9.874 -7.350 1.00 2.37 H new ATOM 0 HH21 ARG A 76 15.082 7.985 -4.437 1.00 2.94 H new ATOM 0 HH22 ARG A 76 15.914 8.597 -5.870 1.00 2.94 H new ATOM 1202 N ASP A 77 6.552 10.950 -3.537 1.00 0.50 N ATOM 1203 CA ASP A 77 5.204 11.302 -3.955 1.00 0.46 C ATOM 1204 C ASP A 77 4.767 10.443 -5.153 1.00 0.45 C ATOM 1205 O ASP A 77 5.305 10.566 -6.253 1.00 0.56 O ATOM 1206 CB ASP A 77 5.149 12.814 -4.261 1.00 0.60 C ATOM 1207 CG ASP A 77 6.246 13.335 -5.209 1.00 2.06 C ATOM 1208 OD1 ASP A 77 7.442 13.084 -4.910 1.00 2.97 O ATOM 1209 OD2 ASP A 77 5.886 14.037 -6.180 1.00 3.28 O ATOM 0 H ASP A 77 7.231 11.661 -3.808 1.00 0.50 H new ATOM 0 HA ASP A 77 4.497 11.094 -3.152 1.00 0.46 H new ATOM 0 HB2 ASP A 77 4.177 13.045 -4.696 1.00 0.60 H new ATOM 0 HB3 ASP A 77 5.215 13.361 -3.320 1.00 0.60 H new ATOM 1214 N LEU A 78 3.785 9.563 -4.934 1.00 0.46 N ATOM 1215 CA LEU A 78 3.080 8.857 -6.010 1.00 0.57 C ATOM 1216 C LEU A 78 2.480 9.868 -6.997 1.00 0.50 C ATOM 1217 O LEU A 78 1.882 10.865 -6.587 1.00 0.67 O ATOM 1218 CB LEU A 78 1.957 7.959 -5.454 1.00 0.70 C ATOM 1219 CG LEU A 78 2.363 6.872 -4.441 1.00 0.77 C ATOM 1220 CD1 LEU A 78 1.248 5.824 -4.341 1.00 1.12 C ATOM 1221 CD2 LEU A 78 3.647 6.133 -4.816 1.00 1.34 C ATOM 0 H LEU A 78 3.455 9.319 -4.000 1.00 0.46 H new ATOM 0 HA LEU A 78 3.805 8.224 -6.522 1.00 0.57 H new ATOM 0 HB2 LEU A 78 1.214 8.601 -4.981 1.00 0.70 H new ATOM 0 HB3 LEU A 78 1.467 7.470 -6.296 1.00 0.70 H new ATOM 0 HG LEU A 78 2.532 7.391 -3.498 1.00 0.77 H new ATOM 0 HD11 LEU A 78 1.535 5.055 -3.624 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.327 6.303 -4.010 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.088 5.368 -5.318 1.00 1.12 H new ATOM 0 HD21 LEU A 78 3.870 5.383 -4.057 1.00 1.34 H new ATOM 0 HD22 LEU A 78 3.517 5.644 -5.782 1.00 1.34 H new ATOM 0 HD23 LEU A 78 4.471 6.844 -4.877 1.00 1.34 H new ATOM 1233 N SER A 79 2.594 9.606 -8.306 1.00 0.45 N ATOM 1234 CA SER A 79 2.029 10.498 -9.321 1.00 0.46 C ATOM 1235 C SER A 79 0.507 10.644 -9.172 1.00 0.44 C ATOM 1236 O SER A 79 -0.181 9.770 -8.634 1.00 0.43 O ATOM 1237 CB SER A 79 2.411 10.008 -10.720 1.00 0.63 C ATOM 1238 OG SER A 79 2.269 11.066 -11.652 1.00 1.31 O ATOM 0 H SER A 79 3.071 8.787 -8.683 1.00 0.45 H new ATOM 0 HA SER A 79 2.452 11.492 -9.173 1.00 0.46 H new ATOM 0 HB2 SER A 79 3.439 9.645 -10.721 1.00 0.63 H new ATOM 0 HB3 SER A 79 1.777 9.169 -11.008 1.00 0.63 H new ATOM 0 HG SER A 79 2.516 10.750 -12.546 1.00 1.31 H new ATOM 1244 N ALA A 80 -0.051 11.742 -9.692 1.00 0.55 N ATOM 1245 CA ALA A 80 -1.490 12.006 -9.641 1.00 0.62 C ATOM 1246 C ALA A 80 -2.312 10.910 -10.347 1.00 0.68 C ATOM 1247 O ALA A 80 -3.424 10.597 -9.926 1.00 0.75 O ATOM 1248 CB ALA A 80 -1.749 13.387 -10.253 1.00 0.74 C ATOM 0 H ALA A 80 0.484 12.473 -10.160 1.00 0.55 H new ATOM 0 HA ALA A 80 -1.817 11.995 -8.601 1.00 0.62 H new ATOM 0 HB1 ALA A 80 -2.817 13.603 -10.225 1.00 0.74 H new ATOM 0 HB2 ALA A 80 -1.210 14.144 -9.683 1.00 0.74 H new ATOM 0 HB3 ALA A 80 -1.404 13.397 -11.287 1.00 0.74 H new ATOM 1254 N LYS A 81 -1.737 10.301 -11.393 1.00 0.72 N ATOM 1255 CA LYS A 81 -2.329 9.227 -12.196 1.00 0.82 C ATOM 1256 C LYS A 81 -2.499 7.937 -11.384 1.00 0.74 C ATOM 1257 O LYS A 81 -3.610 7.411 -11.286 1.00 0.62 O ATOM 1258 CB LYS A 81 -1.456 8.951 -13.430 1.00 0.98 C ATOM 1259 CG LYS A 81 -1.420 10.005 -14.545 1.00 1.03 C ATOM 1260 CD LYS A 81 -0.899 11.395 -14.152 1.00 1.88 C ATOM 1261 CE LYS A 81 -0.628 12.246 -15.400 1.00 2.39 C ATOM 1262 NZ LYS A 81 0.593 11.800 -16.114 1.00 4.28 N ATOM 0 H LYS A 81 -0.804 10.557 -11.716 1.00 0.72 H new ATOM 0 HA LYS A 81 -3.319 9.558 -12.511 1.00 0.82 H new ATOM 0 HB2 LYS A 81 -0.433 8.796 -13.086 1.00 0.98 H new ATOM 0 HB3 LYS A 81 -1.790 8.012 -13.871 1.00 0.98 H new ATOM 0 HG2 LYS A 81 -0.799 9.624 -15.356 1.00 1.03 H new ATOM 0 HG3 LYS A 81 -2.429 10.118 -14.942 1.00 1.03 H new ATOM 0 HD2 LYS A 81 -1.629 11.896 -13.516 1.00 1.88 H new ATOM 0 HD3 LYS A 81 0.016 11.294 -13.569 1.00 1.88 H new ATOM 0 HE2 LYS A 81 -1.484 12.189 -16.072 1.00 2.39 H new ATOM 0 HE3 LYS A 81 -0.519 13.291 -15.111 1.00 2.39 H new ATOM 0 HZ1 LYS A 81 0.878 12.527 -16.801 1.00 4.28 H new ATOM 0 HZ2 LYS A 81 1.361 11.651 -15.429 1.00 4.28 H new ATOM 0 HZ3 LYS A 81 0.397 10.909 -16.614 1.00 4.28 H new ATOM 1276 N GLU A 82 -1.418 7.461 -10.753 1.00 0.86 N ATOM 1277 CA GLU A 82 -1.454 6.267 -9.911 1.00 0.88 C ATOM 1278 C GLU A 82 -2.292 6.536 -8.656 1.00 0.74 C ATOM 1279 O GLU A 82 -3.088 5.691 -8.274 1.00 0.80 O ATOM 1280 CB GLU A 82 -0.056 5.773 -9.529 1.00 1.28 C ATOM 1281 CG GLU A 82 0.871 6.876 -9.038 1.00 1.48 C ATOM 1282 CD GLU A 82 2.312 6.411 -8.926 1.00 2.35 C ATOM 1283 OE1 GLU A 82 2.559 5.415 -8.215 1.00 2.48 O ATOM 1284 OE2 GLU A 82 3.140 7.093 -9.577 1.00 3.79 O ATOM 0 H GLU A 82 -0.497 7.895 -10.814 1.00 0.86 H new ATOM 0 HA GLU A 82 -1.918 5.472 -10.495 1.00 0.88 H new ATOM 0 HB2 GLU A 82 -0.148 5.015 -8.751 1.00 1.28 H new ATOM 0 HB3 GLU A 82 0.397 5.288 -10.394 1.00 1.28 H new ATOM 0 HG2 GLU A 82 0.817 7.724 -9.721 1.00 1.48 H new ATOM 0 HG3 GLU A 82 0.529 7.229 -8.065 1.00 1.48 H new ATOM 1291 N THR A 83 -2.169 7.734 -8.066 1.00 0.73 N ATOM 1292 CA THR A 83 -2.964 8.225 -6.930 1.00 0.67 C ATOM 1293 C THR A 83 -4.464 8.139 -7.232 1.00 0.60 C ATOM 1294 O THR A 83 -5.207 7.501 -6.484 1.00 0.60 O ATOM 1295 CB THR A 83 -2.535 9.663 -6.581 1.00 0.94 C ATOM 1296 OG1 THR A 83 -1.187 9.664 -6.180 1.00 2.16 O ATOM 1297 CG2 THR A 83 -3.344 10.330 -5.469 1.00 1.24 C ATOM 0 H THR A 83 -1.482 8.418 -8.382 1.00 0.73 H new ATOM 0 HA THR A 83 -2.777 7.591 -6.063 1.00 0.67 H new ATOM 0 HB THR A 83 -2.709 10.237 -7.491 1.00 0.94 H new ATOM 0 HG1 THR A 83 -0.613 9.796 -6.963 1.00 2.16 H new ATOM 0 HG21 THR A 83 -2.965 11.338 -5.298 1.00 1.24 H new ATOM 0 HG22 THR A 83 -4.392 10.381 -5.762 1.00 1.24 H new ATOM 0 HG23 THR A 83 -3.252 9.747 -4.552 1.00 1.24 H new ATOM 1305 N LYS A 84 -4.908 8.725 -8.356 1.00 0.56 N ATOM 1306 CA LYS A 84 -6.278 8.609 -8.877 1.00 0.57 C ATOM 1307 C LYS A 84 -6.723 7.146 -8.959 1.00 0.55 C ATOM 1308 O LYS A 84 -7.781 6.796 -8.432 1.00 0.59 O ATOM 1309 CB LYS A 84 -6.357 9.314 -10.246 1.00 0.66 C ATOM 1310 CG LYS A 84 -7.670 9.056 -11.004 1.00 1.84 C ATOM 1311 CD LYS A 84 -7.615 9.610 -12.436 1.00 2.15 C ATOM 1312 CE LYS A 84 -8.735 9.021 -13.305 1.00 3.60 C ATOM 1313 NZ LYS A 84 -10.083 9.394 -12.816 1.00 3.98 N ATOM 0 H LYS A 84 -4.308 9.307 -8.941 1.00 0.56 H new ATOM 0 HA LYS A 84 -6.968 9.099 -8.190 1.00 0.57 H new ATOM 0 HB2 LYS A 84 -6.239 10.387 -10.098 1.00 0.66 H new ATOM 0 HB3 LYS A 84 -5.522 8.983 -10.863 1.00 0.66 H new ATOM 0 HG2 LYS A 84 -7.868 7.985 -11.035 1.00 1.84 H new ATOM 0 HG3 LYS A 84 -8.498 9.518 -10.466 1.00 1.84 H new ATOM 0 HD2 LYS A 84 -7.704 10.696 -12.412 1.00 2.15 H new ATOM 0 HD3 LYS A 84 -6.647 9.379 -12.881 1.00 2.15 H new ATOM 0 HE2 LYS A 84 -8.615 9.367 -14.332 1.00 3.60 H new ATOM 0 HE3 LYS A 84 -8.645 7.935 -13.322 1.00 3.60 H new ATOM 0 HZ1 LYS A 84 -10.805 8.973 -13.435 1.00 3.98 H new ATOM 0 HZ2 LYS A 84 -10.210 9.042 -11.846 1.00 3.98 H new ATOM 0 HZ3 LYS A 84 -10.181 10.429 -12.824 1.00 3.98 H new ATOM 1327 N MET A 85 -5.945 6.304 -9.649 1.00 0.54 N ATOM 1328 CA MET A 85 -6.307 4.900 -9.839 1.00 0.56 C ATOM 1329 C MET A 85 -6.335 4.130 -8.513 1.00 0.51 C ATOM 1330 O MET A 85 -7.283 3.390 -8.286 1.00 0.55 O ATOM 1331 CB MET A 85 -5.375 4.244 -10.866 1.00 0.68 C ATOM 1332 CG MET A 85 -5.945 2.892 -11.321 1.00 1.86 C ATOM 1333 SD MET A 85 -4.956 2.002 -12.552 1.00 2.59 S ATOM 1334 CE MET A 85 -5.098 3.112 -13.979 1.00 2.32 C ATOM 0 H MET A 85 -5.062 6.573 -10.084 1.00 0.54 H new ATOM 0 HA MET A 85 -7.322 4.863 -10.234 1.00 0.56 H new ATOM 0 HB2 MET A 85 -5.251 4.902 -11.726 1.00 0.68 H new ATOM 0 HB3 MET A 85 -4.386 4.101 -10.430 1.00 0.68 H new ATOM 0 HG2 MET A 85 -6.063 2.254 -10.445 1.00 1.86 H new ATOM 0 HG3 MET A 85 -6.941 3.057 -11.731 1.00 1.86 H new ATOM 0 HE1 MET A 85 -4.678 2.627 -14.860 1.00 2.32 H new ATOM 0 HE2 MET A 85 -6.148 3.343 -14.157 1.00 2.32 H new ATOM 0 HE3 MET A 85 -4.553 4.034 -13.778 1.00 2.32 H new ATOM 1344 N LEU A 86 -5.354 4.319 -7.627 1.00 0.51 N ATOM 1345 CA LEU A 86 -5.268 3.693 -6.308 1.00 0.55 C ATOM 1346 C LEU A 86 -6.425 4.102 -5.389 1.00 0.51 C ATOM 1347 O LEU A 86 -6.913 3.248 -4.655 1.00 0.69 O ATOM 1348 CB LEU A 86 -3.888 3.999 -5.697 1.00 0.66 C ATOM 1349 CG LEU A 86 -3.694 3.526 -4.241 1.00 0.92 C ATOM 1350 CD1 LEU A 86 -3.925 2.018 -4.078 1.00 2.05 C ATOM 1351 CD2 LEU A 86 -2.283 3.887 -3.772 1.00 1.64 C ATOM 0 H LEU A 86 -4.566 4.938 -7.818 1.00 0.51 H new ATOM 0 HA LEU A 86 -5.368 2.614 -6.422 1.00 0.55 H new ATOM 0 HB2 LEU A 86 -3.122 3.534 -6.318 1.00 0.66 H new ATOM 0 HB3 LEU A 86 -3.721 5.075 -5.738 1.00 0.66 H new ATOM 0 HG LEU A 86 -4.439 4.034 -3.629 1.00 0.92 H new ATOM 0 HD11 LEU A 86 -3.776 1.738 -3.035 1.00 2.05 H new ATOM 0 HD12 LEU A 86 -4.943 1.771 -4.378 1.00 2.05 H new ATOM 0 HD13 LEU A 86 -3.220 1.472 -4.705 1.00 2.05 H new ATOM 0 HD21 LEU A 86 -2.145 3.553 -2.744 1.00 1.64 H new ATOM 0 HD22 LEU A 86 -1.550 3.398 -4.414 1.00 1.64 H new ATOM 0 HD23 LEU A 86 -2.147 4.967 -3.824 1.00 1.64 H new ATOM 1363 N MET A 87 -6.927 5.344 -5.453 1.00 0.40 N ATOM 1364 CA MET A 87 -8.197 5.681 -4.797 1.00 0.50 C ATOM 1365 C MET A 87 -9.309 4.716 -5.239 1.00 0.47 C ATOM 1366 O MET A 87 -9.836 3.966 -4.420 1.00 0.54 O ATOM 1367 CB MET A 87 -8.596 7.147 -5.055 1.00 0.68 C ATOM 1368 CG MET A 87 -8.234 8.055 -3.879 1.00 1.60 C ATOM 1369 SD MET A 87 -8.922 9.730 -3.980 1.00 2.05 S ATOM 1370 CE MET A 87 -10.680 9.393 -3.666 1.00 2.15 C ATOM 0 H MET A 87 -6.481 6.119 -5.944 1.00 0.40 H new ATOM 0 HA MET A 87 -8.057 5.569 -3.722 1.00 0.50 H new ATOM 0 HB2 MET A 87 -8.098 7.505 -5.956 1.00 0.68 H new ATOM 0 HB3 MET A 87 -9.669 7.204 -5.240 1.00 0.68 H new ATOM 0 HG2 MET A 87 -8.581 7.589 -2.957 1.00 1.60 H new ATOM 0 HG3 MET A 87 -7.148 8.126 -3.812 1.00 1.60 H new ATOM 0 HE1 MET A 87 -11.203 10.332 -3.483 1.00 2.15 H new ATOM 0 HE2 MET A 87 -11.116 8.897 -4.533 1.00 2.15 H new ATOM 0 HE3 MET A 87 -10.776 8.748 -2.793 1.00 2.15 H new ATOM 1380 N ALA A 88 -9.633 4.710 -6.537 1.00 0.46 N ATOM 1381 CA ALA A 88 -10.721 3.917 -7.108 1.00 0.51 C ATOM 1382 C ALA A 88 -10.521 2.395 -6.967 1.00 0.50 C ATOM 1383 O ALA A 88 -11.425 1.685 -6.534 1.00 0.62 O ATOM 1384 CB ALA A 88 -10.873 4.330 -8.577 1.00 0.59 C ATOM 0 H ALA A 88 -9.135 5.268 -7.231 1.00 0.46 H new ATOM 0 HA ALA A 88 -11.633 4.124 -6.548 1.00 0.51 H new ATOM 0 HB1 ALA A 88 -11.679 3.756 -9.035 1.00 0.59 H new ATOM 0 HB2 ALA A 88 -11.107 5.393 -8.634 1.00 0.59 H new ATOM 0 HB3 ALA A 88 -9.941 4.135 -9.108 1.00 0.59 H new ATOM 1390 N ALA A 89 -9.348 1.886 -7.356 1.00 0.46 N ATOM 1391 CA ALA A 89 -9.009 0.466 -7.370 1.00 0.46 C ATOM 1392 C ALA A 89 -8.557 -0.069 -6.002 1.00 0.47 C ATOM 1393 O ALA A 89 -8.503 -1.280 -5.824 1.00 0.93 O ATOM 1394 CB ALA A 89 -7.930 0.230 -8.434 1.00 0.62 C ATOM 0 H ALA A 89 -8.582 2.476 -7.681 1.00 0.46 H new ATOM 0 HA ALA A 89 -9.914 -0.090 -7.613 1.00 0.46 H new ATOM 0 HB1 ALA A 89 -7.666 -0.827 -8.456 1.00 0.62 H new ATOM 0 HB2 ALA A 89 -8.310 0.530 -9.411 1.00 0.62 H new ATOM 0 HB3 ALA A 89 -7.046 0.820 -8.192 1.00 0.62 H new ATOM 1400 N GLY A 90 -8.259 0.797 -5.028 1.00 0.43 N ATOM 1401 CA GLY A 90 -8.088 0.411 -3.632 1.00 0.51 C ATOM 1402 C GLY A 90 -9.441 0.284 -2.937 1.00 0.53 C ATOM 1403 O GLY A 90 -9.754 -0.777 -2.398 1.00 0.75 O ATOM 0 H GLY A 90 -8.129 1.795 -5.193 1.00 0.43 H new ATOM 0 HA2 GLY A 90 -7.554 -0.537 -3.575 1.00 0.51 H new ATOM 0 HA3 GLY A 90 -7.477 1.152 -3.117 1.00 0.51 H new ATOM 1407 N ASP A 91 -10.266 1.338 -2.995 1.00 0.47 N ATOM 1408 CA ASP A 91 -11.634 1.367 -2.468 1.00 0.58 C ATOM 1409 C ASP A 91 -12.627 0.497 -3.285 1.00 0.62 C ATOM 1410 O ASP A 91 -13.709 0.934 -3.676 1.00 0.76 O ATOM 1411 CB ASP A 91 -12.103 2.821 -2.369 1.00 0.67 C ATOM 1412 CG ASP A 91 -13.512 2.891 -1.789 1.00 0.90 C ATOM 1413 OD1 ASP A 91 -13.782 2.245 -0.745 1.00 0.86 O ATOM 1414 OD2 ASP A 91 -14.350 3.591 -2.389 1.00 1.39 O ATOM 0 H ASP A 91 -9.989 2.221 -3.424 1.00 0.47 H new ATOM 0 HA ASP A 91 -11.618 0.920 -1.474 1.00 0.58 H new ATOM 0 HB2 ASP A 91 -11.416 3.388 -1.741 1.00 0.67 H new ATOM 0 HB3 ASP A 91 -12.087 3.282 -3.356 1.00 0.67 H new ATOM 1419 N LYS A 92 -12.330 -0.786 -3.507 1.00 0.70 N ATOM 1420 CA LYS A 92 -13.300 -1.695 -4.148 1.00 0.82 C ATOM 1421 C LYS A 92 -14.540 -1.997 -3.292 1.00 0.61 C ATOM 1422 O LYS A 92 -15.490 -2.597 -3.786 1.00 0.78 O ATOM 1423 CB LYS A 92 -12.616 -2.986 -4.576 1.00 1.16 C ATOM 1424 CG LYS A 92 -11.682 -2.729 -5.772 1.00 2.55 C ATOM 1425 CD LYS A 92 -11.275 -3.987 -6.556 1.00 3.08 C ATOM 1426 CE LYS A 92 -12.430 -4.634 -7.337 1.00 3.65 C ATOM 1427 NZ LYS A 92 -13.008 -5.793 -6.616 1.00 3.73 N ATOM 0 H LYS A 92 -11.441 -1.220 -3.259 1.00 0.70 H new ATOM 0 HA LYS A 92 -13.670 -1.165 -5.026 1.00 0.82 H new ATOM 0 HB2 LYS A 92 -12.045 -3.396 -3.743 1.00 1.16 H new ATOM 0 HB3 LYS A 92 -13.366 -3.730 -4.846 1.00 1.16 H new ATOM 0 HG2 LYS A 92 -12.172 -2.035 -6.455 1.00 2.55 H new ATOM 0 HG3 LYS A 92 -10.780 -2.236 -5.411 1.00 2.55 H new ATOM 0 HD2 LYS A 92 -10.478 -3.727 -7.253 1.00 3.08 H new ATOM 0 HD3 LYS A 92 -10.864 -4.719 -5.861 1.00 3.08 H new ATOM 0 HE2 LYS A 92 -13.209 -3.892 -7.513 1.00 3.65 H new ATOM 0 HE3 LYS A 92 -12.071 -4.957 -8.314 1.00 3.65 H new ATOM 0 HZ1 LYS A 92 -14.035 -5.823 -6.775 1.00 3.73 H new ATOM 0 HZ2 LYS A 92 -12.577 -6.671 -6.969 1.00 3.73 H new ATOM 0 HZ3 LYS A 92 -12.818 -5.699 -5.598 1.00 3.73 H new ATOM 1441 N ASP A 93 -14.539 -1.563 -2.030 1.00 0.48 N ATOM 1442 CA ASP A 93 -15.690 -1.556 -1.131 1.00 0.64 C ATOM 1443 C ASP A 93 -16.630 -0.359 -1.393 1.00 0.70 C ATOM 1444 O ASP A 93 -17.790 -0.398 -0.992 1.00 0.97 O ATOM 1445 CB ASP A 93 -15.122 -1.517 0.290 1.00 0.87 C ATOM 1446 CG ASP A 93 -16.180 -1.560 1.393 1.00 1.04 C ATOM 1447 OD1 ASP A 93 -16.870 -2.594 1.502 1.00 1.57 O ATOM 1448 OD2 ASP A 93 -16.208 -0.563 2.152 1.00 1.55 O ATOM 0 H ASP A 93 -13.698 -1.191 -1.589 1.00 0.48 H new ATOM 0 HA ASP A 93 -16.303 -2.443 -1.290 1.00 0.64 H new ATOM 0 HB2 ASP A 93 -14.444 -2.360 0.421 1.00 0.87 H new ATOM 0 HB3 ASP A 93 -14.529 -0.610 0.407 1.00 0.87 H new ATOM 1453 N GLY A 94 -16.162 0.689 -2.088 1.00 0.55 N ATOM 1454 CA GLY A 94 -16.983 1.832 -2.484 1.00 0.64 C ATOM 1455 C GLY A 94 -17.291 2.842 -1.369 1.00 0.72 C ATOM 1456 O GLY A 94 -18.301 3.536 -1.481 1.00 0.98 O ATOM 0 H GLY A 94 -15.191 0.763 -2.392 1.00 0.55 H new ATOM 0 HA2 GLY A 94 -16.478 2.356 -3.296 1.00 0.64 H new ATOM 0 HA3 GLY A 94 -17.926 1.459 -2.883 1.00 0.64 H new ATOM 1460 N ASP A 95 -16.465 2.944 -0.313 1.00 0.62 N ATOM 1461 CA ASP A 95 -16.666 3.981 0.745 1.00 0.78 C ATOM 1462 C ASP A 95 -15.818 5.261 0.570 1.00 0.89 C ATOM 1463 O ASP A 95 -16.069 6.280 1.208 1.00 1.14 O ATOM 1464 CB ASP A 95 -16.547 3.407 2.175 1.00 1.12 C ATOM 1465 CG ASP A 95 -15.204 3.681 2.865 1.00 1.71 C ATOM 1466 OD1 ASP A 95 -14.255 2.927 2.546 1.00 1.90 O ATOM 1467 OD2 ASP A 95 -15.109 4.574 3.731 1.00 3.13 O ATOM 0 H ASP A 95 -15.660 2.337 -0.159 1.00 0.62 H new ATOM 0 HA ASP A 95 -17.698 4.302 0.603 1.00 0.78 H new ATOM 0 HB2 ASP A 95 -17.347 3.824 2.787 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -16.706 2.329 2.134 1.00 1.12 H new ATOM 1472 N GLY A 96 -14.824 5.207 -0.312 1.00 0.84 N ATOM 1473 CA GLY A 96 -13.914 6.265 -0.740 1.00 0.97 C ATOM 1474 C GLY A 96 -12.570 6.324 -0.010 1.00 0.87 C ATOM 1475 O GLY A 96 -11.791 7.241 -0.268 1.00 1.12 O ATOM 0 H GLY A 96 -14.615 4.332 -0.793 1.00 0.84 H new ATOM 0 HA2 GLY A 96 -13.722 6.144 -1.806 1.00 0.97 H new ATOM 0 HA3 GLY A 96 -14.417 7.224 -0.614 1.00 0.97 H new ATOM 1479 N LYS A 97 -12.274 5.351 0.860 1.00 0.59 N ATOM 1480 CA LYS A 97 -10.986 5.183 1.547 1.00 0.56 C ATOM 1481 C LYS A 97 -10.498 3.741 1.437 1.00 0.57 C ATOM 1482 O LYS A 97 -11.308 2.817 1.395 1.00 0.57 O ATOM 1483 CB LYS A 97 -11.140 5.581 3.019 1.00 0.63 C ATOM 1484 CG LYS A 97 -11.244 7.105 3.190 1.00 0.71 C ATOM 1485 CD LYS A 97 -12.669 7.609 3.468 1.00 0.95 C ATOM 1486 CE LYS A 97 -13.084 7.366 4.922 1.00 1.73 C ATOM 1487 NZ LYS A 97 -12.300 8.215 5.860 1.00 2.75 N ATOM 0 H LYS A 97 -12.950 4.631 1.115 1.00 0.59 H new ATOM 0 HA LYS A 97 -10.245 5.826 1.073 1.00 0.56 H new ATOM 0 HB2 LYS A 97 -12.030 5.107 3.432 1.00 0.63 H new ATOM 0 HB3 LYS A 97 -10.288 5.209 3.587 1.00 0.63 H new ATOM 0 HG2 LYS A 97 -10.595 7.413 4.010 1.00 0.71 H new ATOM 0 HG3 LYS A 97 -10.869 7.588 2.287 1.00 0.71 H new ATOM 0 HD2 LYS A 97 -12.727 8.675 3.246 1.00 0.95 H new ATOM 0 HD3 LYS A 97 -13.369 7.106 2.801 1.00 0.95 H new ATOM 0 HE2 LYS A 97 -14.147 7.578 5.039 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -12.939 6.315 5.172 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -11.899 7.621 6.614 1.00 2.75 H new ATOM 0 HZ2 LYS A 97 -11.530 8.684 5.342 1.00 2.75 H new ATOM 0 HZ3 LYS A 97 -12.923 8.934 6.281 1.00 2.75 H new ATOM 1501 N ILE A 98 -9.179 3.535 1.452 1.00 0.58 N ATOM 1502 CA ILE A 98 -8.603 2.184 1.513 1.00 0.55 C ATOM 1503 C ILE A 98 -8.803 1.620 2.921 1.00 0.44 C ATOM 1504 O ILE A 98 -8.375 2.227 3.907 1.00 0.38 O ATOM 1505 CB ILE A 98 -7.130 2.166 1.026 1.00 0.53 C ATOM 1506 CG1 ILE A 98 -7.170 2.091 -0.510 1.00 0.42 C ATOM 1507 CG2 ILE A 98 -6.267 1.022 1.620 1.00 0.68 C ATOM 1508 CD1 ILE A 98 -5.828 2.404 -1.173 1.00 0.50 C ATOM 0 H ILE A 98 -8.488 4.284 1.423 1.00 0.58 H new ATOM 0 HA ILE A 98 -9.126 1.524 0.821 1.00 0.55 H new ATOM 0 HB ILE A 98 -6.639 3.073 1.379 1.00 0.53 H new ATOM 0 HG12 ILE A 98 -7.489 1.092 -0.809 1.00 0.42 H new ATOM 0 HG13 ILE A 98 -7.920 2.790 -0.880 1.00 0.42 H new ATOM 0 HG21 ILE A 98 -5.253 1.088 1.224 1.00 0.68 H new ATOM 0 HG22 ILE A 98 -6.239 1.113 2.706 1.00 0.68 H new ATOM 0 HG23 ILE A 98 -6.701 0.060 1.348 1.00 0.68 H new ATOM 0 HD11 ILE A 98 -5.931 2.332 -2.256 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -5.516 3.413 -0.905 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -5.078 1.690 -0.832 1.00 0.50 H new ATOM 1520 N GLY A 99 -9.462 0.458 2.981 1.00 0.47 N ATOM 1521 CA GLY A 99 -9.507 -0.449 4.128 1.00 0.41 C ATOM 1522 C GLY A 99 -8.475 -1.567 3.993 1.00 0.51 C ATOM 1523 O GLY A 99 -8.139 -1.993 2.888 1.00 0.71 O ATOM 0 H GLY A 99 -10.005 0.109 2.191 1.00 0.47 H new ATOM 0 HA2 GLY A 99 -9.322 0.111 5.045 1.00 0.41 H new ATOM 0 HA3 GLY A 99 -10.504 -0.880 4.214 1.00 0.41 H new ATOM 1527 N VAL A 100 -8.018 -2.085 5.135 1.00 0.46 N ATOM 1528 CA VAL A 100 -6.988 -3.129 5.247 1.00 0.58 C ATOM 1529 C VAL A 100 -7.229 -4.353 4.366 1.00 0.76 C ATOM 1530 O VAL A 100 -6.416 -4.689 3.504 1.00 1.03 O ATOM 1531 CB VAL A 100 -6.773 -3.510 6.724 1.00 0.54 C ATOM 1532 CG1 VAL A 100 -8.021 -3.873 7.547 1.00 0.57 C ATOM 1533 CG2 VAL A 100 -5.751 -4.634 6.867 1.00 0.66 C ATOM 0 H VAL A 100 -8.366 -1.780 6.044 1.00 0.46 H new ATOM 0 HA VAL A 100 -6.068 -2.695 4.855 1.00 0.58 H new ATOM 0 HB VAL A 100 -6.410 -2.574 7.150 1.00 0.54 H new ATOM 0 HG11 VAL A 100 -7.725 -4.120 8.567 1.00 0.57 H new ATOM 0 HG12 VAL A 100 -8.706 -3.025 7.563 1.00 0.57 H new ATOM 0 HG13 VAL A 100 -8.518 -4.732 7.095 1.00 0.57 H new ATOM 0 HG21 VAL A 100 -5.623 -4.878 7.922 1.00 0.66 H new ATOM 0 HG22 VAL A 100 -6.102 -5.516 6.331 1.00 0.66 H new ATOM 0 HG23 VAL A 100 -4.796 -4.313 6.451 1.00 0.66 H new ATOM 1543 N ASP A 101 -8.343 -5.034 4.615 1.00 0.72 N ATOM 1544 CA ASP A 101 -8.671 -6.311 4.001 1.00 1.00 C ATOM 1545 C ASP A 101 -9.005 -6.161 2.513 1.00 0.92 C ATOM 1546 O ASP A 101 -8.805 -7.094 1.734 1.00 0.95 O ATOM 1547 CB ASP A 101 -9.840 -6.915 4.779 1.00 1.13 C ATOM 1548 CG ASP A 101 -9.951 -8.419 4.518 1.00 1.70 C ATOM 1549 OD1 ASP A 101 -8.921 -9.102 4.718 1.00 2.81 O ATOM 1550 OD2 ASP A 101 -11.057 -8.860 4.141 1.00 2.00 O ATOM 0 H ASP A 101 -9.057 -4.704 5.264 1.00 0.72 H new ATOM 0 HA ASP A 101 -7.807 -6.974 4.047 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -9.703 -6.736 5.845 1.00 1.13 H new ATOM 0 HB3 ASP A 101 -10.768 -6.422 4.489 1.00 1.13 H new ATOM 1555 N GLU A 102 -9.432 -4.955 2.117 1.00 0.84 N ATOM 1556 CA GLU A 102 -9.568 -4.534 0.730 1.00 0.84 C ATOM 1557 C GLU A 102 -8.189 -4.578 0.075 1.00 0.90 C ATOM 1558 O GLU A 102 -7.926 -5.510 -0.675 1.00 0.83 O ATOM 1559 CB GLU A 102 -10.180 -3.126 0.589 1.00 0.82 C ATOM 1560 CG GLU A 102 -11.371 -2.807 1.502 1.00 0.99 C ATOM 1561 CD GLU A 102 -11.688 -1.308 1.510 1.00 1.13 C ATOM 1562 OE1 GLU A 102 -10.982 -0.497 0.875 1.00 2.68 O ATOM 1563 OE2 GLU A 102 -12.643 -0.892 2.209 1.00 0.99 O ATOM 0 H GLU A 102 -9.699 -4.227 2.780 1.00 0.84 H new ATOM 0 HA GLU A 102 -10.256 -5.218 0.233 1.00 0.84 H new ATOM 0 HB2 GLU A 102 -9.397 -2.392 0.780 1.00 0.82 H new ATOM 0 HB3 GLU A 102 -10.497 -2.993 -0.445 1.00 0.82 H new ATOM 0 HG2 GLU A 102 -12.247 -3.363 1.167 1.00 0.99 H new ATOM 0 HG3 GLU A 102 -11.152 -3.139 2.517 1.00 0.99 H new ATOM 1570 N PHE A 103 -7.295 -3.615 0.365 1.00 1.09 N ATOM 1571 CA PHE A 103 -6.030 -3.477 -0.367 1.00 1.22 C ATOM 1572 C PHE A 103 -5.110 -4.694 -0.206 1.00 1.20 C ATOM 1573 O PHE A 103 -4.263 -4.924 -1.065 1.00 1.23 O ATOM 1574 CB PHE A 103 -5.322 -2.159 -0.035 1.00 1.75 C ATOM 1575 CG PHE A 103 -4.317 -2.221 1.095 1.00 0.59 C ATOM 1576 CD1 PHE A 103 -4.725 -2.016 2.420 1.00 2.20 C ATOM 1577 CD2 PHE A 103 -2.967 -2.500 0.819 1.00 1.90 C ATOM 1578 CE1 PHE A 103 -3.791 -2.111 3.460 1.00 3.59 C ATOM 1579 CE2 PHE A 103 -2.031 -2.594 1.864 1.00 2.99 C ATOM 1580 CZ PHE A 103 -2.451 -2.410 3.191 1.00 3.71 C ATOM 0 H PHE A 103 -7.429 -2.923 1.102 1.00 1.09 H new ATOM 0 HA PHE A 103 -6.288 -3.442 -1.425 1.00 1.22 H new ATOM 0 HB2 PHE A 103 -4.812 -1.806 -0.931 1.00 1.75 H new ATOM 0 HB3 PHE A 103 -6.078 -1.415 0.216 1.00 1.75 H new ATOM 0 HD1 PHE A 103 -5.757 -1.785 2.639 1.00 2.20 H new ATOM 0 HD2 PHE A 103 -2.647 -2.643 -0.202 1.00 1.90 H new ATOM 0 HE1 PHE A 103 -4.109 -1.952 4.480 1.00 3.59 H new ATOM 0 HE2 PHE A 103 -0.995 -2.807 1.647 1.00 2.99 H new ATOM 0 HZ PHE A 103 -1.742 -2.499 4.001 1.00 3.71 H new ATOM 1590 N SER A 104 -5.328 -5.503 0.843 1.00 1.21 N ATOM 1591 CA SER A 104 -4.879 -6.889 0.889 1.00 1.20 C ATOM 1592 C SER A 104 -5.534 -7.754 -0.192 1.00 1.09 C ATOM 1593 O SER A 104 -4.912 -8.050 -1.207 1.00 1.79 O ATOM 1594 CB SER A 104 -5.094 -7.461 2.289 1.00 1.34 C ATOM 1595 OG SER A 104 -4.634 -8.795 2.327 1.00 1.44 O ATOM 0 H SER A 104 -5.824 -5.205 1.683 1.00 1.21 H new ATOM 0 HA SER A 104 -3.811 -6.903 0.671 1.00 1.20 H new ATOM 0 HB2 SER A 104 -4.560 -6.860 3.025 1.00 1.34 H new ATOM 0 HB3 SER A 104 -6.151 -7.422 2.551 1.00 1.34 H new ATOM 0 HG SER A 104 -5.042 -9.260 3.087 1.00 1.44 H new ATOM 1601 N THR A 105 -6.781 -8.191 -0.012 1.00 0.53 N ATOM 1602 CA THR A 105 -7.403 -9.221 -0.864 1.00 0.54 C ATOM 1603 C THR A 105 -7.603 -8.791 -2.323 1.00 0.47 C ATOM 1604 O THR A 105 -7.663 -9.639 -3.218 1.00 0.54 O ATOM 1605 CB THR A 105 -8.701 -9.731 -0.237 1.00 0.61 C ATOM 1606 OG1 THR A 105 -9.641 -8.691 -0.082 1.00 0.46 O ATOM 1607 CG2 THR A 105 -8.389 -10.357 1.125 1.00 0.79 C ATOM 0 H THR A 105 -7.393 -7.845 0.727 1.00 0.53 H new ATOM 0 HA THR A 105 -6.691 -10.045 -0.911 1.00 0.54 H new ATOM 0 HB THR A 105 -9.136 -10.477 -0.901 1.00 0.61 H new ATOM 0 HG1 THR A 105 -9.357 -8.099 0.645 1.00 0.46 H new ATOM 0 HG21 THR A 105 -9.311 -10.723 1.577 1.00 0.79 H new ATOM 0 HG22 THR A 105 -7.695 -11.187 0.993 1.00 0.79 H new ATOM 0 HG23 THR A 105 -7.938 -9.607 1.775 1.00 0.79 H new ATOM 1615 N LEU A 106 -7.512 -7.483 -2.585 1.00 0.48 N ATOM 1616 CA LEU A 106 -7.283 -6.865 -3.897 1.00 0.62 C ATOM 1617 C LEU A 106 -6.231 -7.585 -4.737 1.00 0.71 C ATOM 1618 O LEU A 106 -6.344 -7.672 -5.955 1.00 0.85 O ATOM 1619 CB LEU A 106 -6.793 -5.409 -3.705 1.00 0.88 C ATOM 1620 CG LEU A 106 -7.715 -4.324 -4.267 1.00 0.84 C ATOM 1621 CD1 LEU A 106 -7.814 -4.481 -5.786 1.00 1.85 C ATOM 1622 CD2 LEU A 106 -9.085 -4.340 -3.592 1.00 2.30 C ATOM 0 H LEU A 106 -7.601 -6.787 -1.845 1.00 0.48 H new ATOM 0 HA LEU A 106 -8.237 -6.919 -4.422 1.00 0.62 H new ATOM 0 HB2 LEU A 106 -6.655 -5.228 -2.639 1.00 0.88 H new ATOM 0 HB3 LEU A 106 -5.814 -5.309 -4.174 1.00 0.88 H new ATOM 0 HG LEU A 106 -7.287 -3.346 -4.049 1.00 0.84 H new ATOM 0 HD11 LEU A 106 -8.470 -3.710 -6.190 1.00 1.85 H new ATOM 0 HD12 LEU A 106 -6.822 -4.381 -6.227 1.00 1.85 H new ATOM 0 HD13 LEU A 106 -8.220 -5.464 -6.024 1.00 1.85 H new ATOM 0 HD21 LEU A 106 -9.710 -3.555 -4.019 1.00 2.30 H new ATOM 0 HD22 LEU A 106 -9.558 -5.309 -3.753 1.00 2.30 H new ATOM 0 HD23 LEU A 106 -8.966 -4.167 -2.522 1.00 2.30 H new ATOM 1634 N VAL A 107 -5.172 -8.077 -4.093 1.00 0.71 N ATOM 1635 CA VAL A 107 -4.003 -8.654 -4.763 1.00 0.82 C ATOM 1636 C VAL A 107 -4.127 -10.153 -5.038 1.00 0.82 C ATOM 1637 O VAL A 107 -3.277 -10.763 -5.689 1.00 0.99 O ATOM 1638 CB VAL A 107 -2.766 -8.360 -3.929 1.00 0.84 C ATOM 1639 CG1 VAL A 107 -2.683 -6.843 -3.660 1.00 0.85 C ATOM 1640 CG2 VAL A 107 -2.657 -9.190 -2.654 1.00 1.03 C ATOM 0 H VAL A 107 -5.100 -8.087 -3.076 1.00 0.71 H new ATOM 0 HA VAL A 107 -3.926 -8.186 -5.745 1.00 0.82 H new ATOM 0 HB VAL A 107 -1.898 -8.670 -4.511 1.00 0.84 H new ATOM 0 HG11 VAL A 107 -1.797 -6.627 -3.062 1.00 0.85 H new ATOM 0 HG12 VAL A 107 -2.620 -6.308 -4.608 1.00 0.85 H new ATOM 0 HG13 VAL A 107 -3.573 -6.520 -3.120 1.00 0.85 H new ATOM 0 HG21 VAL A 107 -1.747 -8.918 -2.119 1.00 1.03 H new ATOM 0 HG22 VAL A 107 -3.522 -8.998 -2.020 1.00 1.03 H new ATOM 0 HG23 VAL A 107 -2.624 -10.249 -2.911 1.00 1.03 H new ATOM 1650 N ALA A 108 -5.206 -10.723 -4.520 1.00 0.67 N ATOM 1651 CA ALA A 108 -5.674 -12.092 -4.667 1.00 0.76 C ATOM 1652 C ALA A 108 -6.860 -12.174 -5.643 1.00 1.00 C ATOM 1653 O ALA A 108 -6.915 -13.111 -6.433 1.00 1.33 O ATOM 1654 CB ALA A 108 -6.008 -12.613 -3.272 1.00 0.67 C ATOM 0 H ALA A 108 -5.837 -10.183 -3.928 1.00 0.67 H new ATOM 0 HA ALA A 108 -4.902 -12.724 -5.107 1.00 0.76 H new ATOM 0 HB1 ALA A 108 -6.364 -13.641 -3.343 1.00 0.67 H new ATOM 0 HB2 ALA A 108 -5.115 -12.580 -2.648 1.00 0.67 H new ATOM 0 HB3 ALA A 108 -6.784 -11.990 -2.827 1.00 0.67 H new