USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 808 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 29 CYS SG : rot 150:sc= 0.0369 USER MOD Set 1.2: A 32 CYS SG : rot 71:sc= -0.394 USER MOD Set 2.1: A 7 THR OG1 : rot 105:sc= 1.16 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.796 K(o=2.1,f=-2.7!) USER MOD Set 2.3: A 10 SER OG : rot 180:sc= 0.103 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0476 USER MOD Single : A 15 THR OG1 : rot -90:sc= 1.27 USER MOD Single : A 16 SER OG : rot 110:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0.88 (180deg=0.743) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.336 X(o=0.34,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.13) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 3.75 (180deg=3.55) USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.26) USER MOD Single : A 60 ASN : amide:sc= 0.806 K(o=0.81,f=-6.6!) USER MOD Single : A 61 GLN : amide:sc= -0.568! C(o=-0.57!,f=-1.8!) USER MOD Single : A 63 THR OG1 : rot -53:sc= 0.971 USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= 2.04 (180deg=1.74) USER MOD Single : A 67 TYR OH : rot -160:sc= 0.153 USER MOD Single : A 70 MET CE :methyl 173:sc= 0 (180deg=-0.0142) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 136:sc= 1.26 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 2.08 (180deg=1.21) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= 1.64 (180deg=1.5) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 2.44 (180deg=2.42) USER MOD Single : A 97 GLN : amide:sc= 0.302 K(o=0.3,f=-0.54) USER MOD Single : A 101 ASN : amide:sc= 0.969 K(o=0.97,f=-0.017) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc=-0.00276 X(o=-0.0028,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.420 -0.137 1.976 1.00 0.00 N ATOM 2 CA MET A 1 1.433 0.219 0.536 1.00 0.00 C ATOM 3 C MET A 1 1.603 -1.055 -0.304 1.00 0.00 C ATOM 4 O MET A 1 2.723 -1.435 -0.657 1.00 0.00 O ATOM 5 CB MET A 1 2.508 1.295 0.251 1.00 0.00 C ATOM 6 CG MET A 1 2.561 1.760 -1.211 1.00 0.00 C ATOM 7 SD MET A 1 3.598 3.227 -1.462 1.00 0.00 S ATOM 8 CE MET A 1 3.224 3.574 -3.200 1.00 0.00 C ATOM 0 H1 MET A 1 1.305 0.725 2.546 1.00 0.00 H new ATOM 0 H2 MET A 1 0.630 -0.786 2.166 1.00 0.00 H new ATOM 0 H3 MET A 1 2.316 -0.601 2.227 1.00 0.00 H new ATOM 0 HA MET A 1 0.481 0.666 0.250 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.319 2.159 0.889 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.485 0.900 0.530 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.939 0.946 -1.830 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.549 1.977 -1.553 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.781 4.453 -3.524 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.509 2.718 -3.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.156 3.760 -3.312 1.00 0.00 H new ATOM 20 N ALA A 2 0.494 -1.749 -0.593 1.00 0.00 N ATOM 21 CA ALA A 2 0.439 -2.962 -1.405 1.00 0.00 C ATOM 22 C ALA A 2 -1.006 -3.197 -1.840 1.00 0.00 C ATOM 23 O ALA A 2 -1.950 -2.678 -1.234 1.00 0.00 O ATOM 24 CB ALA A 2 0.926 -4.170 -0.586 1.00 0.00 C ATOM 0 H ALA A 2 -0.424 -1.465 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 2 1.082 -2.844 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.881 -5.069 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.954 -4.001 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.289 -4.297 0.289 1.00 0.00 H new ATOM 30 N ILE A 3 -1.160 -4.032 -2.864 1.00 0.00 N ATOM 31 CA ILE A 3 -2.440 -4.530 -3.344 1.00 0.00 C ATOM 32 C ILE A 3 -2.921 -5.605 -2.350 1.00 0.00 C ATOM 33 O ILE A 3 -2.109 -6.245 -1.672 1.00 0.00 O ATOM 34 CB ILE A 3 -2.224 -5.065 -4.781 1.00 0.00 C ATOM 35 CG1 ILE A 3 -1.750 -3.905 -5.691 1.00 0.00 C ATOM 36 CG2 ILE A 3 -3.476 -5.751 -5.361 1.00 0.00 C ATOM 37 CD1 ILE A 3 -1.391 -4.313 -7.115 1.00 0.00 C ATOM 0 H ILE A 3 -0.369 -4.391 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.213 -3.764 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.456 -5.837 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.535 -3.150 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.880 -3.435 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.263 -6.105 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.753 -6.596 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.300 -5.038 -5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.071 -3.435 -7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.582 -5.043 -7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.263 -4.754 -7.598 1.00 0.00 H new ATOM 49 N VAL A 4 -4.234 -5.816 -2.268 1.00 0.00 N ATOM 50 CA VAL A 4 -4.901 -6.696 -1.318 1.00 0.00 C ATOM 51 C VAL A 4 -5.887 -7.560 -2.124 1.00 0.00 C ATOM 52 O VAL A 4 -6.104 -7.341 -3.321 1.00 0.00 O ATOM 53 CB VAL A 4 -5.548 -5.824 -0.203 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.199 -6.638 0.928 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.520 -4.885 0.459 1.00 0.00 C ATOM 0 H VAL A 4 -4.892 -5.353 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.226 -7.376 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.320 -5.261 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.627 -5.959 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.986 -7.269 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.446 -7.264 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.012 -4.294 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.723 -5.477 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.098 -4.219 -0.294 1.00 0.00 H new ATOM 65 N LYS A 5 -6.476 -8.576 -1.496 1.00 0.00 N ATOM 66 CA LYS A 5 -7.488 -9.440 -2.092 1.00 0.00 C ATOM 67 C LYS A 5 -8.515 -9.751 -1.013 1.00 0.00 C ATOM 68 O LYS A 5 -8.156 -9.824 0.165 1.00 0.00 O ATOM 69 CB LYS A 5 -6.795 -10.699 -2.623 1.00 0.00 C ATOM 70 CG LYS A 5 -7.708 -11.608 -3.461 1.00 0.00 C ATOM 71 CD LYS A 5 -6.897 -12.652 -4.244 1.00 0.00 C ATOM 72 CE LYS A 5 -6.101 -11.990 -5.382 1.00 0.00 C ATOM 73 NZ LYS A 5 -5.210 -12.954 -6.077 1.00 0.00 N ATOM 0 H LYS A 5 -6.255 -8.826 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.001 -8.969 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.939 -10.402 -3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.406 -11.270 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.419 -12.113 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.289 -11.001 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.214 -13.168 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.568 -13.406 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.794 -11.554 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.504 -11.172 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.694 -12.465 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.531 -13.352 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.781 -13.721 -6.486 1.00 0.00 H new ATOM 87 N ALA A 6 -9.773 -9.921 -1.407 1.00 0.00 N ATOM 88 CA ALA A 6 -10.874 -10.203 -0.497 1.00 0.00 C ATOM 89 C ALA A 6 -11.951 -11.023 -1.208 1.00 0.00 C ATOM 90 O ALA A 6 -11.902 -11.205 -2.427 1.00 0.00 O ATOM 91 CB ALA A 6 -11.462 -8.882 0.018 1.00 0.00 C ATOM 0 H ALA A 6 -10.059 -9.865 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.503 -10.783 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.286 -9.092 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.690 -8.321 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.828 -8.294 -0.824 1.00 0.00 H new ATOM 97 N THR A 7 -12.949 -11.460 -0.446 1.00 0.00 N ATOM 98 CA THR A 7 -14.153 -12.119 -0.937 1.00 0.00 C ATOM 99 C THR A 7 -15.352 -11.434 -0.270 1.00 0.00 C ATOM 100 O THR A 7 -15.149 -10.580 0.595 1.00 0.00 O ATOM 101 CB THR A 7 -14.079 -13.633 -0.649 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.930 -13.900 0.731 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.916 -14.322 -1.368 1.00 0.00 C ATOM 0 H THR A 7 -12.940 -11.361 0.569 1.00 0.00 H new ATOM 0 HA THR A 7 -14.257 -12.026 -2.018 1.00 0.00 H new ATOM 0 HB THR A 7 -15.024 -14.029 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.781 -14.220 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.917 -15.385 -1.126 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.027 -14.195 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.974 -13.877 -1.046 1.00 0.00 H new ATOM 111 N ASP A 8 -16.598 -11.776 -0.615 1.00 0.00 N ATOM 112 CA ASP A 8 -17.797 -11.118 -0.068 1.00 0.00 C ATOM 113 C ASP A 8 -17.802 -11.066 1.468 1.00 0.00 C ATOM 114 O ASP A 8 -18.327 -10.129 2.073 1.00 0.00 O ATOM 115 CB ASP A 8 -19.071 -11.834 -0.538 1.00 0.00 C ATOM 116 CG ASP A 8 -20.309 -10.972 -0.235 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.508 -9.952 -0.939 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.090 -11.324 0.676 1.00 0.00 O ATOM 0 H ASP A 8 -16.807 -12.518 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.775 -10.095 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.011 -12.033 -1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.160 -12.799 -0.039 1.00 0.00 H new ATOM 123 N GLN A 9 -17.178 -12.070 2.091 1.00 0.00 N ATOM 124 CA GLN A 9 -17.036 -12.248 3.526 1.00 0.00 C ATOM 125 C GLN A 9 -16.180 -11.158 4.194 1.00 0.00 C ATOM 126 O GLN A 9 -16.383 -10.873 5.376 1.00 0.00 O ATOM 127 CB GLN A 9 -16.408 -13.631 3.790 1.00 0.00 C ATOM 128 CG GLN A 9 -17.291 -14.830 3.377 1.00 0.00 C ATOM 129 CD GLN A 9 -17.370 -15.077 1.865 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.476 -14.702 1.112 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.438 -15.685 1.374 1.00 0.00 N ATOM 0 H GLN A 9 -16.733 -12.824 1.567 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.031 -12.172 3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.461 -13.693 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -16.179 -13.714 4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.907 -15.729 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.299 -14.670 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.181 -15.996 2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.519 -15.842 0.369 1.00 0.00 H new ATOM 140 N SER A 10 -15.234 -10.553 3.469 1.00 0.00 N ATOM 141 CA SER A 10 -14.199 -9.679 4.020 1.00 0.00 C ATOM 142 C SER A 10 -14.010 -8.367 3.256 1.00 0.00 C ATOM 143 O SER A 10 -13.438 -7.415 3.791 1.00 0.00 O ATOM 144 CB SER A 10 -12.902 -10.493 4.030 1.00 0.00 C ATOM 145 OG SER A 10 -12.621 -11.038 2.744 1.00 0.00 O ATOM 0 H SER A 10 -15.167 -10.662 2.457 1.00 0.00 H new ATOM 0 HA SER A 10 -14.501 -9.367 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.075 -9.858 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.982 -11.299 4.759 1.00 0.00 H new ATOM 0 HG SER A 10 -11.787 -11.551 2.781 1.00 0.00 H new ATOM 151 N PHE A 11 -14.533 -8.287 2.034 1.00 0.00 N ATOM 152 CA PHE A 11 -14.477 -7.122 1.170 1.00 0.00 C ATOM 153 C PHE A 11 -15.025 -5.887 1.880 1.00 0.00 C ATOM 154 O PHE A 11 -14.512 -4.786 1.682 1.00 0.00 O ATOM 155 CB PHE A 11 -15.279 -7.449 -0.095 1.00 0.00 C ATOM 156 CG PHE A 11 -15.318 -6.358 -1.138 1.00 0.00 C ATOM 157 CD1 PHE A 11 -14.339 -6.326 -2.147 1.00 0.00 C ATOM 158 CD2 PHE A 11 -16.357 -5.408 -1.136 1.00 0.00 C ATOM 159 CE1 PHE A 11 -14.414 -5.365 -3.167 1.00 0.00 C ATOM 160 CE2 PHE A 11 -16.425 -4.445 -2.154 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.464 -4.430 -3.178 1.00 0.00 C ATOM 0 H PHE A 11 -15.028 -9.069 1.606 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.445 -6.890 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.859 -8.347 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.302 -7.687 0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.530 -7.041 -2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.100 -5.421 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.664 -5.344 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.219 -3.713 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.531 -3.702 -3.973 1.00 0.00 H new ATOM 171 N SER A 12 -16.037 -6.057 2.731 1.00 0.00 N ATOM 172 CA SER A 12 -16.664 -4.971 3.459 1.00 0.00 C ATOM 173 C SER A 12 -15.683 -4.332 4.437 1.00 0.00 C ATOM 174 O SER A 12 -15.505 -3.113 4.432 1.00 0.00 O ATOM 175 CB SER A 12 -17.916 -5.516 4.162 1.00 0.00 C ATOM 176 OG SER A 12 -17.669 -6.806 4.711 1.00 0.00 O ATOM 0 H SER A 12 -16.445 -6.970 2.932 1.00 0.00 H new ATOM 0 HA SER A 12 -16.964 -4.181 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.220 -4.832 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.742 -5.570 3.453 1.00 0.00 H new ATOM 0 HG SER A 12 -18.479 -7.133 5.155 1.00 0.00 H new ATOM 182 N ALA A 13 -15.004 -5.152 5.240 1.00 0.00 N ATOM 183 CA ALA A 13 -13.996 -4.685 6.174 1.00 0.00 C ATOM 184 C ALA A 13 -12.865 -3.993 5.412 1.00 0.00 C ATOM 185 O ALA A 13 -12.433 -2.907 5.797 1.00 0.00 O ATOM 186 CB ALA A 13 -13.466 -5.860 7.005 1.00 0.00 C ATOM 0 H ALA A 13 -15.143 -6.162 5.256 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.441 -3.961 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.710 -5.500 7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.287 -6.312 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.023 -6.604 6.342 1.00 0.00 H new ATOM 192 N GLU A 14 -12.407 -4.596 4.311 1.00 0.00 N ATOM 193 CA GLU A 14 -11.281 -4.077 3.550 1.00 0.00 C ATOM 194 C GLU A 14 -11.611 -2.736 2.902 1.00 0.00 C ATOM 195 O GLU A 14 -10.755 -1.849 2.883 1.00 0.00 O ATOM 196 CB GLU A 14 -10.825 -5.090 2.490 1.00 0.00 C ATOM 197 CG GLU A 14 -10.105 -6.294 3.117 1.00 0.00 C ATOM 198 CD GLU A 14 -8.783 -5.946 3.833 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.225 -4.848 3.613 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.299 -6.782 4.632 1.00 0.00 O ATOM 0 H GLU A 14 -12.808 -5.453 3.929 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.461 -3.915 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.690 -5.438 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.159 -4.598 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.776 -6.771 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.899 -7.026 2.336 1.00 0.00 H new ATOM 207 N THR A 15 -12.835 -2.548 2.409 1.00 0.00 N ATOM 208 CA THR A 15 -13.230 -1.316 1.744 1.00 0.00 C ATOM 209 C THR A 15 -13.548 -0.189 2.737 1.00 0.00 C ATOM 210 O THR A 15 -13.819 0.936 2.312 1.00 0.00 O ATOM 211 CB THR A 15 -14.355 -1.594 0.734 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.423 -2.321 1.304 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.811 -2.375 -0.472 1.00 0.00 C ATOM 0 H THR A 15 -13.576 -3.247 2.461 1.00 0.00 H new ATOM 0 HA THR A 15 -12.379 -0.942 1.174 1.00 0.00 H new ATOM 0 HB THR A 15 -14.735 -0.623 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.264 -3.281 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.620 -2.564 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.031 -1.792 -0.961 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.396 -3.324 -0.133 1.00 0.00 H new ATOM 221 N SER A 16 -13.465 -0.448 4.047 1.00 0.00 N ATOM 222 CA SER A 16 -13.899 0.468 5.099 1.00 0.00 C ATOM 223 C SER A 16 -12.709 1.119 5.812 1.00 0.00 C ATOM 224 O SER A 16 -12.773 1.394 7.011 1.00 0.00 O ATOM 225 CB SER A 16 -14.858 -0.253 6.057 1.00 0.00 C ATOM 226 OG SER A 16 -16.009 -0.706 5.372 1.00 0.00 O ATOM 0 H SER A 16 -13.085 -1.322 4.410 1.00 0.00 H new ATOM 0 HA SER A 16 -14.450 1.292 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.349 -1.098 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.151 0.422 6.861 1.00 0.00 H new ATOM 0 HG SER A 16 -15.994 -1.684 5.319 1.00 0.00 H new ATOM 232 N GLU A 17 -11.615 1.361 5.080 1.00 0.00 N ATOM 233 CA GLU A 17 -10.389 1.938 5.641 1.00 0.00 C ATOM 234 C GLU A 17 -9.809 3.086 4.801 1.00 0.00 C ATOM 235 O GLU A 17 -8.780 3.651 5.178 1.00 0.00 O ATOM 236 CB GLU A 17 -9.335 0.834 5.846 1.00 0.00 C ATOM 237 CG GLU A 17 -9.787 -0.280 6.800 1.00 0.00 C ATOM 238 CD GLU A 17 -8.625 -1.215 7.177 1.00 0.00 C ATOM 239 OE1 GLU A 17 -7.900 -1.683 6.270 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.432 -1.494 8.383 1.00 0.00 O ATOM 0 H GLU A 17 -11.556 1.162 4.081 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.662 2.376 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.089 0.395 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.421 1.284 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.205 0.163 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.583 -0.859 6.331 1.00 0.00 H new ATOM 247 N GLY A 18 -10.429 3.454 3.675 1.00 0.00 N ATOM 248 CA GLY A 18 -9.873 4.462 2.778 1.00 0.00 C ATOM 249 C GLY A 18 -10.590 4.475 1.441 1.00 0.00 C ATOM 250 O GLY A 18 -11.670 3.891 1.331 1.00 0.00 O ATOM 0 H GLY A 18 -11.320 3.065 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.950 5.445 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.812 4.265 2.621 1.00 0.00 H new ATOM 254 N VAL A 19 -10.027 5.159 0.442 1.00 0.00 N ATOM 255 CA VAL A 19 -10.469 5.004 -0.940 1.00 0.00 C ATOM 256 C VAL A 19 -9.925 3.641 -1.368 1.00 0.00 C ATOM 257 O VAL A 19 -8.725 3.380 -1.233 1.00 0.00 O ATOM 258 CB VAL A 19 -9.963 6.158 -1.835 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.285 5.926 -3.321 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.617 7.485 -1.423 1.00 0.00 C ATOM 0 H VAL A 19 -9.264 5.825 0.568 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.554 5.047 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.882 6.196 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.910 6.763 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.809 5.004 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.364 5.846 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.249 8.286 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.699 7.405 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.368 7.707 -0.385 1.00 0.00 H new ATOM 270 N VAL A 20 -10.794 2.764 -1.862 1.00 0.00 N ATOM 271 CA VAL A 20 -10.445 1.396 -2.191 1.00 0.00 C ATOM 272 C VAL A 20 -10.942 1.122 -3.606 1.00 0.00 C ATOM 273 O VAL A 20 -12.127 1.272 -3.908 1.00 0.00 O ATOM 274 CB VAL A 20 -10.974 0.414 -1.125 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.472 -1.006 -1.418 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.525 0.826 0.291 1.00 0.00 C ATOM 0 H VAL A 20 -11.771 2.992 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.366 1.245 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.063 0.439 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.852 -1.690 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.825 -1.321 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.382 -1.017 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.915 0.113 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.436 0.835 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.906 1.821 0.518 1.00 0.00 H new ATOM 286 N LEU A 21 -10.004 0.765 -4.479 1.00 0.00 N ATOM 287 CA LEU A 21 -10.233 0.465 -5.879 1.00 0.00 C ATOM 288 C LEU A 21 -10.420 -1.048 -5.956 1.00 0.00 C ATOM 289 O LEU A 21 -9.470 -1.811 -5.777 1.00 0.00 O ATOM 290 CB LEU A 21 -9.014 0.972 -6.679 1.00 0.00 C ATOM 291 CG LEU A 21 -9.108 0.957 -8.216 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.168 -0.447 -8.821 1.00 0.00 C ATOM 293 CD2 LEU A 21 -10.284 1.793 -8.729 1.00 0.00 C ATOM 0 H LEU A 21 -9.023 0.675 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.112 0.951 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.810 1.996 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.151 0.372 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.175 1.410 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.233 -0.373 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.269 -0.999 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.045 -0.970 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.311 1.753 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.216 1.394 -8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.163 2.827 -8.407 1.00 0.00 H new ATOM 305 N ALA A 22 -11.658 -1.484 -6.147 1.00 0.00 N ATOM 306 CA ALA A 22 -12.031 -2.883 -6.195 1.00 0.00 C ATOM 307 C ALA A 22 -12.047 -3.319 -7.657 1.00 0.00 C ATOM 308 O ALA A 22 -12.971 -2.993 -8.403 1.00 0.00 O ATOM 309 CB ALA A 22 -13.395 -3.053 -5.534 1.00 0.00 C ATOM 0 H ALA A 22 -12.449 -0.853 -6.276 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.320 -3.508 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.686 -4.103 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.341 -2.722 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.135 -2.456 -6.067 1.00 0.00 H new ATOM 315 N ASP A 23 -11.002 -4.027 -8.070 1.00 0.00 N ATOM 316 CA ASP A 23 -10.887 -4.601 -9.402 1.00 0.00 C ATOM 317 C ASP A 23 -11.650 -5.923 -9.433 1.00 0.00 C ATOM 318 O ASP A 23 -11.138 -6.962 -9.002 1.00 0.00 O ATOM 319 CB ASP A 23 -9.415 -4.795 -9.770 1.00 0.00 C ATOM 320 CG ASP A 23 -9.263 -5.639 -11.046 1.00 0.00 C ATOM 321 OD1 ASP A 23 -9.949 -5.354 -12.052 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.422 -6.564 -11.032 1.00 0.00 O ATOM 0 H ASP A 23 -10.196 -4.221 -7.475 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.320 -3.926 -10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.944 -3.823 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.893 -5.281 -8.946 1.00 0.00 H new ATOM 327 N PHE A 24 -12.903 -5.862 -9.885 1.00 0.00 N ATOM 328 CA PHE A 24 -13.706 -7.028 -10.198 1.00 0.00 C ATOM 329 C PHE A 24 -13.203 -7.587 -11.528 1.00 0.00 C ATOM 330 O PHE A 24 -13.283 -6.908 -12.559 1.00 0.00 O ATOM 331 CB PHE A 24 -15.197 -6.665 -10.239 1.00 0.00 C ATOM 332 CG PHE A 24 -15.814 -6.558 -8.857 1.00 0.00 C ATOM 333 CD1 PHE A 24 -16.246 -7.724 -8.193 1.00 0.00 C ATOM 334 CD2 PHE A 24 -15.905 -5.313 -8.206 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.777 -7.646 -6.895 1.00 0.00 C ATOM 336 CE2 PHE A 24 -16.428 -5.238 -6.902 1.00 0.00 C ATOM 337 CZ PHE A 24 -16.863 -6.403 -6.246 1.00 0.00 C ATOM 0 H PHE A 24 -13.391 -4.980 -10.044 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.606 -7.792 -9.427 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.321 -5.717 -10.762 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.734 -7.419 -10.814 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.168 -8.682 -8.685 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -15.573 -4.416 -8.707 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -17.119 -8.541 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -16.496 -4.282 -6.403 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.263 -6.342 -5.245 1.00 0.00 H new ATOM 347 N TRP A 25 -12.679 -8.814 -11.503 1.00 0.00 N ATOM 348 CA TRP A 25 -11.974 -9.413 -12.634 1.00 0.00 C ATOM 349 C TRP A 25 -12.297 -10.902 -12.771 1.00 0.00 C ATOM 350 O TRP A 25 -13.026 -11.464 -11.947 1.00 0.00 O ATOM 351 CB TRP A 25 -10.460 -9.180 -12.483 1.00 0.00 C ATOM 352 CG TRP A 25 -9.738 -10.040 -11.488 1.00 0.00 C ATOM 353 CD1 TRP A 25 -9.888 -9.982 -10.148 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.749 -11.088 -11.728 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.103 -10.939 -9.543 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.356 -11.635 -10.468 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.129 -11.626 -12.878 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.397 -12.652 -10.356 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.162 -12.644 -12.776 1.00 0.00 C ATOM 360 CH2 TRP A 25 -6.800 -13.163 -11.521 1.00 0.00 C ATOM 0 H TRP A 25 -12.734 -9.425 -10.688 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.314 -8.930 -13.550 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.995 -9.326 -13.458 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.303 -8.137 -12.208 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.529 -9.287 -9.626 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.078 -11.110 -8.538 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.402 -11.249 -13.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.121 -13.038 -9.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.694 -13.030 -13.670 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.066 -13.952 -11.452 1.00 0.00 H new ATOM 371 N ALA A 26 -11.756 -11.536 -13.815 1.00 0.00 N ATOM 372 CA ALA A 26 -11.747 -12.981 -13.998 1.00 0.00 C ATOM 373 C ALA A 26 -10.535 -13.334 -14.877 1.00 0.00 C ATOM 374 O ALA A 26 -10.198 -12.551 -15.770 1.00 0.00 O ATOM 375 CB ALA A 26 -13.047 -13.439 -14.666 1.00 0.00 C ATOM 0 H ALA A 26 -11.299 -11.037 -14.578 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.674 -13.487 -13.035 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.027 -14.521 -14.797 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.895 -13.165 -14.038 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.145 -12.958 -15.639 1.00 0.00 H new ATOM 381 N PRO A 27 -9.883 -14.492 -14.677 1.00 0.00 N ATOM 382 CA PRO A 27 -8.619 -14.814 -15.334 1.00 0.00 C ATOM 383 C PRO A 27 -8.785 -15.209 -16.805 1.00 0.00 C ATOM 384 O PRO A 27 -7.816 -15.153 -17.565 1.00 0.00 O ATOM 385 CB PRO A 27 -8.025 -15.962 -14.511 1.00 0.00 C ATOM 386 CG PRO A 27 -9.258 -16.676 -13.957 1.00 0.00 C ATOM 387 CD PRO A 27 -10.253 -15.538 -13.737 1.00 0.00 C ATOM 0 HA PRO A 27 -7.968 -13.940 -15.364 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.419 -16.626 -15.127 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.382 -15.593 -13.712 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.643 -17.417 -14.658 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.035 -17.201 -13.028 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.275 -15.875 -13.911 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.208 -15.174 -12.711 1.00 0.00 H new ATOM 395 N TRP A 28 -9.990 -15.597 -17.233 1.00 0.00 N ATOM 396 CA TRP A 28 -10.263 -15.934 -18.625 1.00 0.00 C ATOM 397 C TRP A 28 -10.444 -14.681 -19.498 1.00 0.00 C ATOM 398 O TRP A 28 -10.550 -14.805 -20.720 1.00 0.00 O ATOM 399 CB TRP A 28 -11.469 -16.889 -18.688 1.00 0.00 C ATOM 400 CG TRP A 28 -12.695 -16.554 -17.884 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.234 -15.326 -17.708 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.567 -17.467 -17.143 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.385 -15.418 -16.953 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.628 -16.713 -16.555 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.568 -18.859 -16.904 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.629 -17.306 -15.771 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -14.567 -19.466 -16.118 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.596 -18.694 -15.551 1.00 0.00 C ATOM 0 H TRP A 28 -10.801 -15.685 -16.621 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.399 -16.449 -19.044 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.771 -16.973 -19.732 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -11.127 -17.875 -18.375 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.823 -14.408 -18.101 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.982 -14.625 -16.719 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.787 -19.470 -17.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.416 -16.703 -15.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -14.542 -20.533 -15.950 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -16.358 -19.166 -14.949 1.00 0.00 H new ATOM 419 N CYS A 29 -10.483 -13.481 -18.903 1.00 0.00 N ATOM 420 CA CYS A 29 -10.675 -12.235 -19.623 1.00 0.00 C ATOM 421 C CYS A 29 -9.297 -11.635 -19.913 1.00 0.00 C ATOM 422 O CYS A 29 -8.548 -11.324 -18.983 1.00 0.00 O ATOM 423 CB CYS A 29 -11.554 -11.304 -18.778 1.00 0.00 C ATOM 424 SG CYS A 29 -11.888 -9.763 -19.678 1.00 0.00 S ATOM 0 H CYS A 29 -10.380 -13.357 -17.896 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.185 -12.391 -20.574 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.493 -11.801 -18.534 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.057 -11.081 -17.834 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.047 -9.294 -19.321 1.00 0.00 H new ATOM 430 N GLY A 30 -8.963 -11.463 -21.195 1.00 0.00 N ATOM 431 CA GLY A 30 -7.718 -10.836 -21.633 1.00 0.00 C ATOM 432 C GLY A 30 -7.543 -9.439 -21.031 1.00 0.00 C ATOM 433 O GLY A 30 -6.573 -9.229 -20.305 1.00 0.00 O ATOM 0 H GLY A 30 -9.560 -11.760 -21.967 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.874 -11.464 -21.346 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.709 -10.767 -22.721 1.00 0.00 H new ATOM 437 N PRO A 31 -8.474 -8.492 -21.253 1.00 0.00 N ATOM 438 CA PRO A 31 -8.419 -7.152 -20.676 1.00 0.00 C ATOM 439 C PRO A 31 -8.166 -7.091 -19.161 1.00 0.00 C ATOM 440 O PRO A 31 -7.456 -6.191 -18.716 1.00 0.00 O ATOM 441 CB PRO A 31 -9.735 -6.486 -21.080 1.00 0.00 C ATOM 442 CG PRO A 31 -10.026 -7.120 -22.437 1.00 0.00 C ATOM 443 CD PRO A 31 -9.526 -8.553 -22.261 1.00 0.00 C ATOM 0 HA PRO A 31 -7.547 -6.626 -21.064 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.529 -6.687 -20.360 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.636 -5.403 -21.151 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.089 -7.090 -22.677 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.503 -6.606 -23.243 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.334 -9.211 -21.942 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.143 -8.951 -23.201 1.00 0.00 H new ATOM 451 N CYS A 32 -8.674 -8.041 -18.362 1.00 0.00 N ATOM 452 CA CYS A 32 -8.348 -8.108 -16.932 1.00 0.00 C ATOM 453 C CYS A 32 -6.843 -8.303 -16.709 1.00 0.00 C ATOM 454 O CYS A 32 -6.241 -7.642 -15.865 1.00 0.00 O ATOM 455 CB CYS A 32 -9.100 -9.255 -16.243 1.00 0.00 C ATOM 456 SG CYS A 32 -10.880 -8.922 -16.169 1.00 0.00 S ATOM 0 H CYS A 32 -9.310 -8.771 -18.682 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.657 -7.158 -16.497 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.924 -10.185 -16.783 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.711 -9.394 -15.234 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.389 -9.018 -17.361 1.00 0.00 H new ATOM 462 N LYS A 33 -6.218 -9.199 -17.473 1.00 0.00 N ATOM 463 CA LYS A 33 -4.780 -9.437 -17.375 1.00 0.00 C ATOM 464 C LYS A 33 -4.003 -8.262 -17.969 1.00 0.00 C ATOM 465 O LYS A 33 -2.921 -7.952 -17.475 1.00 0.00 O ATOM 466 CB LYS A 33 -4.429 -10.775 -18.046 1.00 0.00 C ATOM 467 CG LYS A 33 -5.036 -11.945 -17.245 1.00 0.00 C ATOM 468 CD LYS A 33 -4.876 -13.313 -17.916 1.00 0.00 C ATOM 469 CE LYS A 33 -5.684 -13.395 -19.220 1.00 0.00 C ATOM 470 NZ LYS A 33 -5.912 -14.799 -19.637 1.00 0.00 N ATOM 0 H LYS A 33 -6.690 -9.775 -18.170 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.489 -9.509 -16.327 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.808 -10.789 -19.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.347 -10.888 -18.106 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.569 -11.978 -16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.097 -11.751 -17.088 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.822 -13.496 -18.127 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.205 -14.096 -17.233 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.643 -12.895 -19.086 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.155 -12.862 -20.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.260 -14.818 -20.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.019 -15.328 -19.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.617 -15.237 -19.010 1.00 0.00 H new ATOM 484 N MET A 34 -4.549 -7.573 -18.975 1.00 0.00 N ATOM 485 CA MET A 34 -3.922 -6.388 -19.558 1.00 0.00 C ATOM 486 C MET A 34 -3.901 -5.224 -18.564 1.00 0.00 C ATOM 487 O MET A 34 -2.894 -4.522 -18.489 1.00 0.00 O ATOM 488 CB MET A 34 -4.640 -5.954 -20.845 1.00 0.00 C ATOM 489 CG MET A 34 -4.554 -7.013 -21.948 1.00 0.00 C ATOM 490 SD MET A 34 -5.593 -6.658 -23.391 1.00 0.00 S ATOM 491 CE MET A 34 -5.311 -8.176 -24.342 1.00 0.00 C ATOM 0 H MET A 34 -5.439 -7.823 -19.407 1.00 0.00 H new ATOM 0 HA MET A 34 -2.895 -6.658 -19.803 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.687 -5.750 -20.622 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.203 -5.022 -21.205 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.517 -7.102 -22.272 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.843 -7.979 -21.534 1.00 0.00 H new ATOM 0 HE1 MET A 34 -5.878 -8.133 -25.272 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.249 -8.272 -24.568 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.636 -9.037 -23.758 1.00 0.00 H new ATOM 501 N ILE A 35 -4.978 -5.000 -17.797 1.00 0.00 N ATOM 502 CA ILE A 35 -5.025 -3.895 -16.837 1.00 0.00 C ATOM 503 C ILE A 35 -4.248 -4.233 -15.553 1.00 0.00 C ATOM 504 O ILE A 35 -3.854 -3.319 -14.838 1.00 0.00 O ATOM 505 CB ILE A 35 -6.484 -3.424 -16.597 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.502 -1.980 -16.046 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.293 -4.392 -15.719 1.00 0.00 C ATOM 508 CD1 ILE A 35 -7.907 -1.401 -15.835 1.00 0.00 C ATOM 0 H ILE A 35 -5.824 -5.569 -17.825 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.509 -3.036 -17.265 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.987 -3.425 -17.564 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.967 -1.959 -15.096 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.956 -1.335 -16.734 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.304 -4.006 -15.589 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.337 -5.369 -16.200 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.813 -4.488 -14.745 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.828 -0.386 -15.447 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.441 -1.386 -16.785 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.452 -2.020 -15.123 1.00 0.00 H new ATOM 520 N ALA A 36 -3.974 -5.510 -15.255 1.00 0.00 N ATOM 521 CA ALA A 36 -3.258 -5.906 -14.039 1.00 0.00 C ATOM 522 C ALA A 36 -1.930 -5.146 -13.815 1.00 0.00 C ATOM 523 O ALA A 36 -1.772 -4.565 -12.738 1.00 0.00 O ATOM 524 CB ALA A 36 -3.074 -7.429 -13.999 1.00 0.00 C ATOM 0 H ALA A 36 -4.242 -6.294 -15.849 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.884 -5.611 -13.197 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.541 -7.707 -13.090 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.050 -7.914 -14.010 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.500 -7.749 -14.869 1.00 0.00 H new ATOM 530 N PRO A 37 -0.991 -5.050 -14.781 1.00 0.00 N ATOM 531 CA PRO A 37 0.220 -4.256 -14.587 1.00 0.00 C ATOM 532 C PRO A 37 -0.078 -2.757 -14.451 1.00 0.00 C ATOM 533 O PRO A 37 0.655 -2.054 -13.762 1.00 0.00 O ATOM 534 CB PRO A 37 1.123 -4.557 -15.789 1.00 0.00 C ATOM 535 CG PRO A 37 0.151 -5.032 -16.865 1.00 0.00 C ATOM 536 CD PRO A 37 -0.925 -5.751 -16.055 1.00 0.00 C ATOM 0 HA PRO A 37 0.711 -4.524 -13.651 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.672 -3.671 -16.109 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.862 -5.322 -15.552 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.261 -4.199 -17.435 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.633 -5.699 -17.579 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.886 -5.723 -16.568 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.671 -6.801 -15.912 1.00 0.00 H new ATOM 544 N VAL A 38 -1.157 -2.256 -15.057 1.00 0.00 N ATOM 545 CA VAL A 38 -1.577 -0.871 -14.899 1.00 0.00 C ATOM 546 C VAL A 38 -2.043 -0.637 -13.454 1.00 0.00 C ATOM 547 O VAL A 38 -1.745 0.408 -12.879 1.00 0.00 O ATOM 548 CB VAL A 38 -2.663 -0.505 -15.935 1.00 0.00 C ATOM 549 CG1 VAL A 38 -2.860 1.011 -15.996 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.308 -0.982 -17.354 1.00 0.00 C ATOM 0 H VAL A 38 -1.761 -2.803 -15.670 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.732 -0.209 -15.089 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.573 -1.007 -15.605 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.629 1.249 -16.731 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.169 1.377 -15.017 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.923 1.488 -16.283 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.104 -0.699 -18.043 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.373 -0.519 -17.670 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.195 -2.066 -17.356 1.00 0.00 H new ATOM 560 N LEU A 39 -2.720 -1.608 -12.832 1.00 0.00 N ATOM 561 CA LEU A 39 -3.076 -1.550 -11.421 1.00 0.00 C ATOM 562 C LEU A 39 -1.827 -1.640 -10.545 1.00 0.00 C ATOM 563 O LEU A 39 -1.779 -0.976 -9.515 1.00 0.00 O ATOM 564 CB LEU A 39 -4.085 -2.650 -11.045 1.00 0.00 C ATOM 565 CG LEU A 39 -5.457 -2.518 -11.734 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.316 -3.737 -11.393 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.205 -1.239 -11.332 1.00 0.00 C ATOM 0 H LEU A 39 -3.035 -2.458 -13.300 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.556 -0.588 -11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.657 -3.620 -11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.232 -2.638 -9.965 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.275 -2.461 -12.807 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.287 -3.645 -11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.819 -4.642 -11.743 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.455 -3.794 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.164 -1.201 -11.849 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.373 -1.239 -10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.610 -0.368 -11.607 1.00 0.00 H new ATOM 579 N GLU A 40 -0.797 -2.398 -10.934 1.00 0.00 N ATOM 580 CA GLU A 40 0.478 -2.375 -10.213 1.00 0.00 C ATOM 581 C GLU A 40 1.142 -0.994 -10.302 1.00 0.00 C ATOM 582 O GLU A 40 1.716 -0.516 -9.322 1.00 0.00 O ATOM 583 CB GLU A 40 1.425 -3.485 -10.693 1.00 0.00 C ATOM 584 CG GLU A 40 0.932 -4.882 -10.293 1.00 0.00 C ATOM 585 CD GLU A 40 1.933 -5.975 -10.707 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.876 -6.264 -9.934 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.780 -6.576 -11.794 1.00 0.00 O ATOM 0 H GLU A 40 -0.820 -3.029 -11.735 1.00 0.00 H new ATOM 0 HA GLU A 40 0.260 -2.571 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.523 -3.433 -11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.418 -3.319 -10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.777 -4.919 -9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.033 -5.076 -10.761 1.00 0.00 H new ATOM 594 N GLU A 41 1.060 -0.319 -11.449 1.00 0.00 N ATOM 595 CA GLU A 41 1.530 1.056 -11.581 1.00 0.00 C ATOM 596 C GLU A 41 0.676 1.997 -10.723 1.00 0.00 C ATOM 597 O GLU A 41 1.215 2.908 -10.099 1.00 0.00 O ATOM 598 CB GLU A 41 1.556 1.503 -13.051 1.00 0.00 C ATOM 599 CG GLU A 41 2.704 0.846 -13.830 1.00 0.00 C ATOM 600 CD GLU A 41 2.775 1.367 -15.276 1.00 0.00 C ATOM 601 OE1 GLU A 41 2.082 0.823 -16.166 1.00 0.00 O ATOM 602 OE2 GLU A 41 3.546 2.317 -15.543 1.00 0.00 O ATOM 0 H GLU A 41 0.668 -0.709 -12.306 1.00 0.00 H new ATOM 0 HA GLU A 41 2.556 1.101 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.606 1.252 -13.523 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.659 2.587 -13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.649 1.044 -13.324 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.568 -0.235 -13.838 1.00 0.00 H new ATOM 609 N LEU A 42 -0.637 1.769 -10.639 1.00 0.00 N ATOM 610 CA LEU A 42 -1.525 2.569 -9.805 1.00 0.00 C ATOM 611 C LEU A 42 -1.203 2.360 -8.326 1.00 0.00 C ATOM 612 O LEU A 42 -1.257 3.314 -7.557 1.00 0.00 O ATOM 613 CB LEU A 42 -2.993 2.232 -10.104 1.00 0.00 C ATOM 614 CG LEU A 42 -3.997 3.118 -9.337 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.912 4.594 -9.754 1.00 0.00 C ATOM 616 CD2 LEU A 42 -5.412 2.581 -9.571 1.00 0.00 C ATOM 0 H LEU A 42 -1.111 1.023 -11.149 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.367 3.622 -10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.171 2.338 -11.174 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.176 1.187 -9.852 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.746 3.077 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.638 5.175 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.909 4.971 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.128 4.684 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.130 3.200 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.639 2.605 -10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.476 1.555 -9.210 1.00 0.00 H new ATOM 628 N ASP A 43 -0.832 1.148 -7.911 1.00 0.00 N ATOM 629 CA ASP A 43 -0.399 0.874 -6.547 1.00 0.00 C ATOM 630 C ASP A 43 0.909 1.602 -6.251 1.00 0.00 C ATOM 631 O ASP A 43 1.047 2.217 -5.197 1.00 0.00 O ATOM 632 CB ASP A 43 -0.228 -0.627 -6.313 1.00 0.00 C ATOM 633 CG ASP A 43 0.354 -0.896 -4.916 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.374 -0.705 -3.916 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.526 -1.325 -4.826 1.00 0.00 O ATOM 0 H ASP A 43 -0.825 0.328 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.171 1.238 -5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.191 -1.128 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.431 -1.046 -7.074 1.00 0.00 H new ATOM 640 N GLN A 44 1.848 1.613 -7.200 1.00 0.00 N ATOM 641 CA GLN A 44 3.081 2.380 -7.065 1.00 0.00 C ATOM 642 C GLN A 44 2.817 3.895 -6.997 1.00 0.00 C ATOM 643 O GLN A 44 3.579 4.620 -6.356 1.00 0.00 O ATOM 644 CB GLN A 44 4.028 2.019 -8.219 1.00 0.00 C ATOM 645 CG GLN A 44 4.644 0.625 -8.022 1.00 0.00 C ATOM 646 CD GLN A 44 5.283 0.109 -9.309 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.471 0.299 -9.564 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.501 -0.549 -10.149 1.00 0.00 N ATOM 0 H GLN A 44 1.773 1.094 -8.075 1.00 0.00 H new ATOM 0 HA GLN A 44 3.554 2.116 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.482 2.048 -9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.822 2.763 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.395 0.666 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.873 -0.071 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.518 -0.697 -9.921 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.881 -0.908 -11.025 1.00 0.00 H new ATOM 657 N GLU A 45 1.748 4.381 -7.633 1.00 0.00 N ATOM 658 CA GLU A 45 1.424 5.801 -7.723 1.00 0.00 C ATOM 659 C GLU A 45 0.588 6.284 -6.525 1.00 0.00 C ATOM 660 O GLU A 45 0.824 7.380 -6.014 1.00 0.00 O ATOM 661 CB GLU A 45 0.652 6.022 -9.036 1.00 0.00 C ATOM 662 CG GLU A 45 0.370 7.488 -9.388 1.00 0.00 C ATOM 663 CD GLU A 45 1.639 8.241 -9.818 1.00 0.00 C ATOM 664 OE1 GLU A 45 2.346 8.812 -8.958 1.00 0.00 O ATOM 665 OE2 GLU A 45 1.921 8.275 -11.037 1.00 0.00 O ATOM 0 H GLU A 45 1.072 3.783 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 45 2.348 6.380 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.217 5.571 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.298 5.490 -8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.365 7.531 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.071 7.988 -8.526 1.00 0.00 H new ATOM 672 N MET A 46 -0.364 5.469 -6.058 1.00 0.00 N ATOM 673 CA MET A 46 -1.409 5.869 -5.115 1.00 0.00 C ATOM 674 C MET A 46 -1.608 4.884 -3.961 1.00 0.00 C ATOM 675 O MET A 46 -2.411 5.177 -3.082 1.00 0.00 O ATOM 676 CB MET A 46 -2.738 6.063 -5.879 1.00 0.00 C ATOM 677 CG MET A 46 -2.824 7.404 -6.611 1.00 0.00 C ATOM 678 SD MET A 46 -2.982 8.830 -5.497 1.00 0.00 S ATOM 679 CE MET A 46 -3.002 10.173 -6.712 1.00 0.00 C ATOM 0 H MET A 46 -0.429 4.489 -6.333 1.00 0.00 H new ATOM 0 HA MET A 46 -1.083 6.804 -4.660 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.856 5.255 -6.601 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.568 5.986 -5.176 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.933 7.531 -7.226 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.678 7.385 -7.288 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.095 11.129 -6.196 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.075 10.159 -7.286 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.848 10.041 -7.386 1.00 0.00 H new ATOM 689 N GLY A 47 -0.889 3.761 -3.878 1.00 0.00 N ATOM 690 CA GLY A 47 -1.026 2.776 -2.794 1.00 0.00 C ATOM 691 C GLY A 47 -0.690 3.318 -1.398 1.00 0.00 C ATOM 692 O GLY A 47 -0.862 2.629 -0.394 1.00 0.00 O ATOM 0 H GLY A 47 -0.185 3.504 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.049 2.401 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.376 1.927 -3.007 1.00 0.00 H new ATOM 696 N ASP A 48 -0.172 4.542 -1.338 1.00 0.00 N ATOM 697 CA ASP A 48 0.093 5.318 -0.131 1.00 0.00 C ATOM 698 C ASP A 48 -1.179 5.980 0.422 1.00 0.00 C ATOM 699 O ASP A 48 -1.253 6.298 1.610 1.00 0.00 O ATOM 700 CB ASP A 48 1.139 6.391 -0.471 1.00 0.00 C ATOM 701 CG ASP A 48 1.394 7.371 0.687 1.00 0.00 C ATOM 702 OD1 ASP A 48 1.959 6.961 1.725 1.00 0.00 O ATOM 703 OD2 ASP A 48 1.082 8.572 0.522 1.00 0.00 O ATOM 0 H ASP A 48 0.090 5.049 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 48 0.463 4.646 0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.076 5.904 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.807 6.950 -1.346 1.00 0.00 H new ATOM 708 N LYS A 49 -2.193 6.171 -0.430 1.00 0.00 N ATOM 709 CA LYS A 49 -3.410 6.936 -0.173 1.00 0.00 C ATOM 710 C LYS A 49 -4.664 6.139 -0.551 1.00 0.00 C ATOM 711 O LYS A 49 -5.773 6.555 -0.218 1.00 0.00 O ATOM 712 CB LYS A 49 -3.362 8.259 -0.963 1.00 0.00 C ATOM 713 CG LYS A 49 -2.133 9.121 -0.629 1.00 0.00 C ATOM 714 CD LYS A 49 -2.068 10.385 -1.494 1.00 0.00 C ATOM 715 CE LYS A 49 -0.906 11.314 -1.101 1.00 0.00 C ATOM 716 NZ LYS A 49 0.431 10.673 -1.202 1.00 0.00 N ATOM 0 H LYS A 49 -2.182 5.772 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.463 7.148 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.363 8.037 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.266 8.831 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.163 9.403 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.227 8.533 -0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.961 10.099 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.008 10.929 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.925 12.196 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.058 11.658 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.162 11.344 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.457 9.827 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.611 10.399 -2.189 1.00 0.00 H new ATOM 730 N LEU A 50 -4.500 5.001 -1.227 1.00 0.00 N ATOM 731 CA LEU A 50 -5.553 4.127 -1.718 1.00 0.00 C ATOM 732 C LEU A 50 -5.164 2.684 -1.404 1.00 0.00 C ATOM 733 O LEU A 50 -3.998 2.392 -1.131 1.00 0.00 O ATOM 734 CB LEU A 50 -5.844 4.415 -3.220 1.00 0.00 C ATOM 735 CG LEU A 50 -5.838 3.251 -4.248 1.00 0.00 C ATOM 736 CD1 LEU A 50 -6.412 3.722 -5.582 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.446 2.683 -4.557 1.00 0.00 C ATOM 0 H LEU A 50 -3.571 4.649 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.501 4.317 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.823 4.892 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.112 5.149 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.436 2.470 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.402 2.897 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.437 4.064 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.807 4.542 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.536 1.875 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.814 3.471 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.998 2.299 -3.641 1.00 0.00 H new ATOM 749 N LYS A 51 -6.132 1.776 -1.478 1.00 0.00 N ATOM 750 CA LYS A 51 -5.924 0.333 -1.422 1.00 0.00 C ATOM 751 C LYS A 51 -6.492 -0.238 -2.717 1.00 0.00 C ATOM 752 O LYS A 51 -7.536 0.232 -3.168 1.00 0.00 O ATOM 753 CB LYS A 51 -6.651 -0.187 -0.172 1.00 0.00 C ATOM 754 CG LYS A 51 -6.485 -1.692 0.078 1.00 0.00 C ATOM 755 CD LYS A 51 -7.430 -2.194 1.180 1.00 0.00 C ATOM 756 CE LYS A 51 -7.207 -1.503 2.536 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.057 -2.115 3.576 1.00 0.00 N ATOM 0 H LYS A 51 -7.114 2.032 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.877 0.040 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.284 0.356 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.713 0.039 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.681 -2.238 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.453 -1.902 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.461 -2.035 0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.296 -3.269 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.158 -1.582 2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.435 -0.441 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.832 -1.694 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.058 -1.944 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.880 -3.139 3.610 1.00 0.00 H new ATOM 771 N ILE A 52 -5.855 -1.244 -3.309 1.00 0.00 N ATOM 772 CA ILE A 52 -6.436 -1.984 -4.428 1.00 0.00 C ATOM 773 C ILE A 52 -6.860 -3.322 -3.842 1.00 0.00 C ATOM 774 O ILE A 52 -6.100 -3.907 -3.070 1.00 0.00 O ATOM 775 CB ILE A 52 -5.437 -2.125 -5.604 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.985 -0.716 -6.054 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.038 -2.946 -6.767 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.184 -0.654 -7.356 1.00 0.00 C ATOM 0 H ILE A 52 -4.929 -1.568 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.289 -1.465 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.562 -2.681 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.870 -0.090 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.382 -0.278 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.308 -3.023 -7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.295 -3.944 -6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.936 -2.450 -7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.921 0.381 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.274 -1.245 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.785 -1.054 -8.172 1.00 0.00 H new ATOM 790 N VAL A 53 -8.036 -3.819 -4.212 1.00 0.00 N ATOM 791 CA VAL A 53 -8.522 -5.130 -3.806 1.00 0.00 C ATOM 792 C VAL A 53 -8.911 -5.843 -5.091 1.00 0.00 C ATOM 793 O VAL A 53 -9.820 -5.411 -5.802 1.00 0.00 O ATOM 794 CB VAL A 53 -9.698 -5.002 -2.809 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.279 -6.367 -2.417 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.287 -4.286 -1.513 1.00 0.00 C ATOM 0 H VAL A 53 -8.687 -3.313 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.763 -5.702 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.450 -4.415 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.101 -6.225 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.646 -6.876 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.503 -6.972 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.146 -4.221 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.490 -4.847 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.933 -3.282 -1.748 1.00 0.00 H new ATOM 806 N LYS A 54 -8.195 -6.915 -5.415 1.00 0.00 N ATOM 807 CA LYS A 54 -8.596 -7.814 -6.491 1.00 0.00 C ATOM 808 C LYS A 54 -9.770 -8.638 -5.959 1.00 0.00 C ATOM 809 O LYS A 54 -9.735 -9.050 -4.796 1.00 0.00 O ATOM 810 CB LYS A 54 -7.416 -8.722 -6.888 1.00 0.00 C ATOM 811 CG LYS A 54 -6.058 -8.012 -7.066 1.00 0.00 C ATOM 812 CD LYS A 54 -6.024 -6.876 -8.106 1.00 0.00 C ATOM 813 CE LYS A 54 -5.451 -7.310 -9.464 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.369 -8.168 -10.254 1.00 0.00 N ATOM 0 H LYS A 54 -7.330 -7.183 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.891 -7.263 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.304 -9.495 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.667 -9.226 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.754 -7.605 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.314 -8.758 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.035 -6.496 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.427 -6.052 -7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.208 -6.421 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.518 -7.848 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.946 -8.366 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.529 -9.063 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.277 -7.677 -10.384 1.00 0.00 H new ATOM 828 N ILE A 55 -10.779 -8.915 -6.783 1.00 0.00 N ATOM 829 CA ILE A 55 -11.898 -9.769 -6.396 1.00 0.00 C ATOM 830 C ILE A 55 -12.459 -10.450 -7.656 1.00 0.00 C ATOM 831 O ILE A 55 -12.750 -9.801 -8.661 1.00 0.00 O ATOM 832 CB ILE A 55 -12.918 -8.952 -5.556 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.140 -9.823 -5.196 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.310 -7.608 -6.198 1.00 0.00 C ATOM 835 CD1 ILE A 55 -14.974 -9.273 -4.029 1.00 0.00 C ATOM 0 H ILE A 55 -10.843 -8.554 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.589 -10.580 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.419 -8.673 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.779 -9.916 -6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.797 -10.826 -4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.025 -7.093 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.421 -6.990 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.763 -7.789 -7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.814 -9.940 -3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.352 -9.206 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.349 -8.282 -4.285 1.00 0.00 H new ATOM 847 N ASP A 56 -12.544 -11.782 -7.635 1.00 0.00 N ATOM 848 CA ASP A 56 -13.027 -12.569 -8.773 1.00 0.00 C ATOM 849 C ASP A 56 -14.558 -12.580 -8.772 1.00 0.00 C ATOM 850 O ASP A 56 -15.156 -12.868 -7.731 1.00 0.00 O ATOM 851 CB ASP A 56 -12.475 -13.994 -8.686 1.00 0.00 C ATOM 852 CG ASP A 56 -13.007 -14.859 -9.836 1.00 0.00 C ATOM 853 OD1 ASP A 56 -14.169 -15.311 -9.754 1.00 0.00 O ATOM 854 OD2 ASP A 56 -12.255 -15.091 -10.808 1.00 0.00 O ATOM 0 H ASP A 56 -12.280 -12.346 -6.828 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.681 -12.121 -9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.386 -13.969 -8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.755 -14.439 -7.731 1.00 0.00 H new ATOM 859 N VAL A 57 -15.201 -12.256 -9.900 1.00 0.00 N ATOM 860 CA VAL A 57 -16.662 -12.124 -9.961 1.00 0.00 C ATOM 861 C VAL A 57 -17.408 -13.448 -9.776 1.00 0.00 C ATOM 862 O VAL A 57 -18.496 -13.452 -9.198 1.00 0.00 O ATOM 863 CB VAL A 57 -17.124 -11.447 -11.273 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.742 -9.965 -11.280 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.596 -12.118 -12.552 1.00 0.00 C ATOM 0 H VAL A 57 -14.730 -12.080 -10.787 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.920 -11.486 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.208 -11.562 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.076 -9.508 -12.211 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.218 -9.463 -10.438 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.660 -9.868 -11.196 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.967 -11.581 -13.425 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.506 -12.098 -12.550 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.940 -13.152 -12.589 1.00 0.00 H new ATOM 875 N ASP A 58 -16.866 -14.568 -10.252 1.00 0.00 N ATOM 876 CA ASP A 58 -17.572 -15.849 -10.222 1.00 0.00 C ATOM 877 C ASP A 58 -17.539 -16.423 -8.810 1.00 0.00 C ATOM 878 O ASP A 58 -18.522 -16.996 -8.346 1.00 0.00 O ATOM 879 CB ASP A 58 -16.962 -16.841 -11.217 1.00 0.00 C ATOM 880 CG ASP A 58 -17.707 -18.185 -11.166 1.00 0.00 C ATOM 881 OD1 ASP A 58 -18.869 -18.253 -11.625 1.00 0.00 O ATOM 882 OD2 ASP A 58 -17.123 -19.191 -10.704 1.00 0.00 O ATOM 0 H ASP A 58 -15.935 -14.614 -10.665 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.608 -15.679 -10.516 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -17.011 -16.430 -12.225 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.908 -16.994 -10.986 1.00 0.00 H new ATOM 887 N GLU A 59 -16.442 -16.195 -8.087 1.00 0.00 N ATOM 888 CA GLU A 59 -16.319 -16.537 -6.676 1.00 0.00 C ATOM 889 C GLU A 59 -17.139 -15.591 -5.781 1.00 0.00 C ATOM 890 O GLU A 59 -17.387 -15.931 -4.623 1.00 0.00 O ATOM 891 CB GLU A 59 -14.836 -16.486 -6.268 1.00 0.00 C ATOM 892 CG GLU A 59 -13.978 -17.607 -6.873 1.00 0.00 C ATOM 893 CD GLU A 59 -14.304 -18.985 -6.267 1.00 0.00 C ATOM 894 OE1 GLU A 59 -13.758 -19.326 -5.193 1.00 0.00 O ATOM 895 OE2 GLU A 59 -15.091 -19.755 -6.863 1.00 0.00 O ATOM 0 H GLU A 59 -15.604 -15.761 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.714 -17.543 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.421 -15.524 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.768 -16.538 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.135 -17.640 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.924 -17.382 -6.712 1.00 0.00 H new ATOM 902 N ASN A 60 -17.575 -14.425 -6.283 1.00 0.00 N ATOM 903 CA ASN A 60 -18.144 -13.347 -5.464 1.00 0.00 C ATOM 904 C ASN A 60 -19.332 -12.693 -6.162 1.00 0.00 C ATOM 905 O ASN A 60 -19.407 -11.467 -6.287 1.00 0.00 O ATOM 906 CB ASN A 60 -17.070 -12.311 -5.100 1.00 0.00 C ATOM 907 CG ASN A 60 -15.950 -12.935 -4.290 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.092 -13.155 -3.093 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.838 -13.260 -4.928 1.00 0.00 N ATOM 0 H ASN A 60 -17.541 -14.204 -7.278 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.511 -13.787 -4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.662 -11.873 -6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.524 -11.499 -4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.072 -13.705 -4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.747 -13.065 -5.925 1.00 0.00 H new ATOM 916 N GLN A 61 -20.278 -13.521 -6.614 1.00 0.00 N ATOM 917 CA GLN A 61 -21.492 -13.069 -7.278 1.00 0.00 C ATOM 918 C GLN A 61 -22.255 -12.107 -6.360 1.00 0.00 C ATOM 919 O GLN A 61 -22.817 -11.116 -6.819 1.00 0.00 O ATOM 920 CB GLN A 61 -22.399 -14.258 -7.673 1.00 0.00 C ATOM 921 CG GLN A 61 -21.766 -15.659 -7.797 1.00 0.00 C ATOM 922 CD GLN A 61 -21.504 -16.306 -6.428 1.00 0.00 C ATOM 923 OE1 GLN A 61 -22.361 -16.331 -5.551 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.294 -16.778 -6.184 1.00 0.00 N ATOM 0 H GLN A 61 -20.216 -14.535 -6.525 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.206 -12.552 -8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -23.201 -14.321 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.862 -14.018 -8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.425 -16.302 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.827 -15.583 -8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.582 -16.757 -6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.072 -17.163 -5.266 1.00 0.00 H new ATOM 933 N GLU A 62 -22.233 -12.387 -5.053 1.00 0.00 N ATOM 934 CA GLU A 62 -22.909 -11.615 -4.020 1.00 0.00 C ATOM 935 C GLU A 62 -22.359 -10.193 -3.899 1.00 0.00 C ATOM 936 O GLU A 62 -23.097 -9.290 -3.500 1.00 0.00 O ATOM 937 CB GLU A 62 -22.751 -12.344 -2.677 1.00 0.00 C ATOM 938 CG GLU A 62 -23.520 -13.672 -2.640 1.00 0.00 C ATOM 939 CD GLU A 62 -23.416 -14.351 -1.262 1.00 0.00 C ATOM 940 OE1 GLU A 62 -22.457 -15.121 -1.027 1.00 0.00 O ATOM 941 OE2 GLU A 62 -24.311 -14.147 -0.410 1.00 0.00 O ATOM 0 H GLU A 62 -21.724 -13.187 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.960 -11.530 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.694 -12.534 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.105 -11.699 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.568 -13.493 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.128 -14.341 -3.406 1.00 0.00 H new ATOM 948 N THR A 63 -21.084 -9.971 -4.229 1.00 0.00 N ATOM 949 CA THR A 63 -20.470 -8.654 -4.158 1.00 0.00 C ATOM 950 C THR A 63 -20.595 -7.948 -5.502 1.00 0.00 C ATOM 951 O THR A 63 -21.011 -6.799 -5.535 1.00 0.00 O ATOM 952 CB THR A 63 -19.006 -8.723 -3.711 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.754 -9.886 -2.962 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.579 -7.526 -2.862 1.00 0.00 C ATOM 0 H THR A 63 -20.453 -10.704 -4.553 1.00 0.00 H new ATOM 0 HA THR A 63 -21.004 -8.078 -3.402 1.00 0.00 H new ATOM 0 HB THR A 63 -18.429 -8.724 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.393 -9.943 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.532 -7.636 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.705 -6.609 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.195 -7.478 -1.964 1.00 0.00 H new ATOM 962 N ALA A 64 -20.312 -8.614 -6.622 1.00 0.00 N ATOM 963 CA ALA A 64 -20.427 -7.973 -7.927 1.00 0.00 C ATOM 964 C ALA A 64 -21.890 -7.582 -8.196 1.00 0.00 C ATOM 965 O ALA A 64 -22.190 -6.435 -8.541 1.00 0.00 O ATOM 966 CB ALA A 64 -19.871 -8.926 -8.989 1.00 0.00 C ATOM 0 H ALA A 64 -20.005 -9.586 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.846 -7.051 -7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.950 -8.461 -9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.825 -9.142 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.442 -9.854 -8.980 1.00 0.00 H new ATOM 972 N GLY A 65 -22.823 -8.500 -7.925 1.00 0.00 N ATOM 973 CA GLY A 65 -24.257 -8.266 -8.031 1.00 0.00 C ATOM 974 C GLY A 65 -24.748 -7.184 -7.068 1.00 0.00 C ATOM 975 O GLY A 65 -25.763 -6.545 -7.345 1.00 0.00 O ATOM 0 H GLY A 65 -22.592 -9.445 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.500 -7.975 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.789 -9.196 -7.829 1.00 0.00 H new ATOM 979 N LYS A 66 -24.007 -6.906 -5.986 1.00 0.00 N ATOM 980 CA LYS A 66 -24.302 -5.822 -5.044 1.00 0.00 C ATOM 981 C LYS A 66 -24.314 -4.455 -5.741 1.00 0.00 C ATOM 982 O LYS A 66 -24.959 -3.534 -5.240 1.00 0.00 O ATOM 983 CB LYS A 66 -23.273 -5.843 -3.895 1.00 0.00 C ATOM 984 CG LYS A 66 -23.889 -5.561 -2.521 1.00 0.00 C ATOM 985 CD LYS A 66 -22.824 -5.426 -1.417 1.00 0.00 C ATOM 986 CE LYS A 66 -21.815 -6.583 -1.275 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.430 -7.922 -1.069 1.00 0.00 N ATOM 0 H LYS A 66 -23.173 -7.438 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.300 -5.982 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.784 -6.817 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.499 -5.103 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.476 -4.644 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.577 -6.366 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.264 -4.508 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.338 -5.305 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.194 -6.617 -2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.153 -6.369 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.693 -8.605 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.142 -7.864 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.885 -8.234 -1.950 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.652 -4.329 -6.899 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.572 -3.099 -7.689 1.00 0.00 C ATOM 1003 C TYR A 67 -24.129 -3.324 -9.104 1.00 0.00 C ATOM 1004 O TYR A 67 -23.945 -2.480 -9.983 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.119 -2.586 -7.716 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.362 -2.795 -6.416 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.684 -2.049 -5.265 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.413 -3.830 -6.337 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.083 -2.358 -4.032 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -19.811 -4.146 -5.111 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.160 -3.427 -3.946 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.653 -3.801 -2.739 1.00 0.00 O ATOM 0 H TYR A 67 -23.143 -5.105 -7.322 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.189 -2.332 -7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.583 -3.089 -8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.125 -1.522 -7.953 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.394 -1.238 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.147 -4.384 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.325 -1.780 -3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.080 -4.939 -5.057 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.826 -4.308 -2.875 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.796 -4.461 -9.345 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.330 -4.836 -10.649 1.00 0.00 C ATOM 1024 C GLY A 68 -24.234 -5.143 -11.673 1.00 0.00 C ATOM 1025 O GLY A 68 -24.453 -4.963 -12.872 1.00 0.00 O ATOM 0 H GLY A 68 -24.980 -5.155 -8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -25.971 -5.711 -10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.957 -4.028 -11.026 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.056 -5.585 -11.222 1.00 0.00 N ATOM 1030 CA VAL A 69 -21.920 -5.925 -12.070 1.00 0.00 C ATOM 1031 C VAL A 69 -21.883 -7.448 -12.210 1.00 0.00 C ATOM 1032 O VAL A 69 -22.035 -8.179 -11.231 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.632 -5.341 -11.440 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.348 -5.816 -12.139 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.669 -3.802 -11.479 1.00 0.00 C ATOM 0 H VAL A 69 -22.866 -5.718 -10.229 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.006 -5.496 -13.069 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.608 -5.704 -10.412 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.482 -5.371 -11.650 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.281 -6.902 -12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.370 -5.512 -13.186 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.757 -3.405 -11.033 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.743 -3.466 -12.513 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.533 -3.444 -10.919 1.00 0.00 H new ATOM 1045 N MET A 70 -21.664 -7.926 -13.437 1.00 0.00 N ATOM 1046 CA MET A 70 -21.353 -9.324 -13.740 1.00 0.00 C ATOM 1047 C MET A 70 -20.564 -9.400 -15.064 1.00 0.00 C ATOM 1048 O MET A 70 -20.628 -10.388 -15.798 1.00 0.00 O ATOM 1049 CB MET A 70 -22.631 -10.197 -13.703 1.00 0.00 C ATOM 1050 CG MET A 70 -22.501 -11.300 -12.643 1.00 0.00 C ATOM 1051 SD MET A 70 -21.121 -12.459 -12.887 1.00 0.00 S ATOM 1052 CE MET A 70 -21.169 -13.343 -11.304 1.00 0.00 C ATOM 0 H MET A 70 -21.699 -7.336 -14.268 1.00 0.00 H new ATOM 0 HA MET A 70 -20.706 -9.744 -12.970 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.498 -9.574 -13.483 1.00 0.00 H new ATOM 0 HB3 MET A 70 -22.801 -10.644 -14.682 1.00 0.00 H new ATOM 0 HG2 MET A 70 -22.390 -10.830 -11.666 1.00 0.00 H new ATOM 0 HG3 MET A 70 -23.431 -11.869 -12.619 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.467 -14.177 -11.331 1.00 0.00 H new ATOM 0 HE2 MET A 70 -20.893 -12.662 -10.499 1.00 0.00 H new ATOM 0 HE3 MET A 70 -22.176 -13.722 -11.129 1.00 0.00 H new ATOM 1062 N SER A 71 -19.817 -8.333 -15.370 1.00 0.00 N ATOM 1063 CA SER A 71 -18.922 -8.208 -16.509 1.00 0.00 C ATOM 1064 C SER A 71 -17.605 -7.627 -15.990 1.00 0.00 C ATOM 1065 O SER A 71 -17.586 -6.995 -14.928 1.00 0.00 O ATOM 1066 CB SER A 71 -19.548 -7.310 -17.586 1.00 0.00 C ATOM 1067 OG SER A 71 -20.811 -7.804 -18.009 1.00 0.00 O ATOM 0 H SER A 71 -19.827 -7.492 -14.793 1.00 0.00 H new ATOM 0 HA SER A 71 -18.743 -9.177 -16.974 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.664 -6.299 -17.195 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.877 -7.245 -18.442 1.00 0.00 H new ATOM 0 HG SER A 71 -21.183 -7.209 -18.693 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.506 -7.860 -16.706 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.151 -7.571 -16.248 1.00 0.00 C ATOM 1075 C ILE A 72 -14.271 -7.135 -17.433 1.00 0.00 C ATOM 1076 O ILE A 72 -14.595 -7.496 -18.570 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.547 -8.807 -15.529 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.281 -10.063 -16.393 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.326 -9.167 -14.257 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.487 -10.887 -16.867 1.00 0.00 C ATOM 0 H ILE A 72 -16.535 -8.264 -17.642 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.188 -6.750 -15.532 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.548 -8.462 -15.264 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.725 -9.748 -17.276 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.628 -10.725 -15.825 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -14.870 -10.037 -13.785 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.302 -8.325 -13.565 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.360 -9.395 -14.516 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.139 -11.733 -17.460 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.040 -11.253 -16.002 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.139 -10.261 -17.476 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.142 -6.431 -17.210 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.733 -5.827 -15.946 1.00 0.00 C ATOM 1094 C PRO A 73 -13.677 -4.682 -15.587 1.00 0.00 C ATOM 1095 O PRO A 73 -14.060 -3.893 -16.454 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.301 -5.322 -16.156 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.176 -5.136 -17.667 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.175 -6.133 -18.253 1.00 0.00 C ATOM 0 HA PRO A 73 -12.771 -6.540 -15.123 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.129 -4.385 -15.626 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.569 -6.038 -15.783 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.413 -4.114 -17.963 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.162 -5.340 -18.011 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.670 -5.713 -19.129 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.667 -7.041 -18.579 1.00 0.00 H new ATOM 1106 N THR A 74 -14.012 -4.578 -14.306 1.00 0.00 N ATOM 1107 CA THR A 74 -14.855 -3.523 -13.775 1.00 0.00 C ATOM 1108 C THR A 74 -14.180 -3.034 -12.500 1.00 0.00 C ATOM 1109 O THR A 74 -13.798 -3.828 -11.641 1.00 0.00 O ATOM 1110 CB THR A 74 -16.284 -4.051 -13.556 1.00 0.00 C ATOM 1111 OG1 THR A 74 -16.848 -4.413 -14.800 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.195 -3.004 -12.909 1.00 0.00 C ATOM 0 H THR A 74 -13.697 -5.240 -13.597 1.00 0.00 H new ATOM 0 HA THR A 74 -14.962 -2.684 -14.462 1.00 0.00 H new ATOM 0 HB THR A 74 -16.211 -4.909 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.307 -5.275 -14.713 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.192 -3.423 -12.775 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.788 -2.717 -11.939 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.254 -2.126 -13.552 1.00 0.00 H new ATOM 1120 N LEU A 75 -13.997 -1.724 -12.395 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.322 -1.081 -11.288 1.00 0.00 C ATOM 1122 C LEU A 75 -14.403 -0.364 -10.502 1.00 0.00 C ATOM 1123 O LEU A 75 -14.937 0.658 -10.937 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.228 -0.120 -11.774 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.155 -0.749 -12.683 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.082 0.303 -12.973 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.509 -2.008 -12.100 1.00 0.00 C ATOM 0 H LEU A 75 -14.326 -1.065 -13.101 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.804 -1.808 -10.662 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.702 0.701 -12.313 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.735 0.313 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.654 -1.069 -13.598 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.315 -0.128 -13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.537 1.158 -13.473 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.630 0.629 -12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.765 -2.392 -12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.027 -1.765 -11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.275 -2.766 -11.933 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.769 -0.948 -9.369 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.602 -0.291 -8.379 1.00 0.00 C ATOM 1141 C LEU A 76 -14.669 0.642 -7.622 1.00 0.00 C ATOM 1142 O LEU A 76 -13.526 0.275 -7.336 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.221 -1.348 -7.438 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.713 -1.643 -7.664 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -18.578 -0.488 -7.159 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.025 -1.964 -9.130 1.00 0.00 C ATOM 0 H LEU A 76 -14.493 -1.896 -9.112 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.430 0.260 -8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.664 -2.278 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.086 -1.016 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.956 -2.534 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.629 -0.719 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.406 -0.344 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -18.316 0.424 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.091 -2.165 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -17.750 -1.114 -9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.456 -2.841 -9.439 1.00 0.00 H new ATOM 1158 N VAL A 77 -15.145 1.827 -7.261 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.398 2.749 -6.432 1.00 0.00 C ATOM 1160 C VAL A 77 -15.274 2.908 -5.208 1.00 0.00 C ATOM 1161 O VAL A 77 -16.424 3.346 -5.321 1.00 0.00 O ATOM 1162 CB VAL A 77 -14.109 4.077 -7.162 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -13.039 4.867 -6.392 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.624 3.881 -8.609 1.00 0.00 C ATOM 0 H VAL A 77 -16.064 2.172 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.403 2.388 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 77 -15.053 4.620 -7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.836 5.805 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.398 5.079 -5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.123 4.279 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.439 4.853 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.702 3.299 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.387 3.351 -9.180 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.753 2.488 -4.059 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.400 2.653 -2.764 1.00 0.00 C ATOM 1176 C LEU A 78 -14.574 3.647 -1.958 1.00 0.00 C ATOM 1177 O LEU A 78 -13.388 3.847 -2.229 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.541 1.309 -2.011 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.768 0.470 -2.429 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -16.593 -0.214 -3.788 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.114 -0.591 -1.383 1.00 0.00 C ATOM 0 H LEU A 78 -13.851 2.014 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.414 3.026 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.639 0.719 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.601 1.510 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.586 1.186 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -17.489 -0.788 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.432 0.541 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.733 -0.883 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.983 -1.159 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.267 -1.265 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.339 -0.106 -0.433 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.182 4.248 -0.939 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.496 5.067 0.045 1.00 0.00 C ATOM 1195 C LYS A 79 -15.141 4.775 1.385 1.00 0.00 C ATOM 1196 O LYS A 79 -16.364 4.864 1.491 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.600 6.553 -0.329 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.764 7.432 0.616 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.814 8.901 0.177 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.778 9.735 0.943 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.785 11.147 0.500 1.00 0.00 N ATOM 0 H LYS A 79 -16.186 4.175 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.432 4.834 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.261 6.696 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.643 6.867 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.140 7.339 1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.731 7.085 0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.624 8.972 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.812 9.303 0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.988 9.687 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.785 9.311 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.874 11.589 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.934 11.187 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.552 11.658 0.981 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.327 4.439 2.389 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.748 4.212 3.774 1.00 0.00 C ATOM 1217 C ASP A 80 -16.040 3.371 3.891 1.00 0.00 C ATOM 1218 O ASP A 80 -16.912 3.638 4.721 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.816 5.560 4.511 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.050 5.403 6.025 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.384 4.560 6.664 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.856 6.173 6.598 1.00 0.00 O ATOM 0 H ASP A 80 -13.324 4.313 2.256 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.998 3.595 4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.887 6.106 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.619 6.162 4.085 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.179 2.358 3.027 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.208 1.330 3.125 1.00 0.00 C ATOM 1229 C GLY A 81 -18.363 1.469 2.132 1.00 0.00 C ATOM 1230 O GLY A 81 -19.209 0.574 2.101 1.00 0.00 O ATOM 0 H GLY A 81 -15.562 2.233 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.741 0.356 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.615 1.341 4.136 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.431 2.532 1.320 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.540 2.763 0.397 1.00 0.00 C ATOM 1236 C GLU A 82 -19.026 3.088 -1.006 1.00 0.00 C ATOM 1237 O GLU A 82 -17.929 3.625 -1.157 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.452 3.857 0.971 1.00 0.00 C ATOM 1239 CG GLU A 82 -19.899 5.289 0.900 1.00 0.00 C ATOM 1240 CD GLU A 82 -20.881 6.297 1.525 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.765 6.821 0.808 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.776 6.592 2.738 1.00 0.00 O ATOM 0 H GLU A 82 -17.714 3.256 1.288 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.134 1.855 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.403 3.828 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.662 3.619 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.943 5.338 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.710 5.558 -0.139 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.800 2.738 -2.036 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.471 3.017 -3.431 1.00 0.00 C ATOM 1251 C VAL A 83 -19.491 4.526 -3.667 1.00 0.00 C ATOM 1252 O VAL A 83 -20.368 5.246 -3.181 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.390 2.197 -4.366 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -21.894 2.455 -4.174 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -20.019 2.399 -5.841 1.00 0.00 C ATOM 0 H VAL A 83 -20.686 2.246 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.458 2.693 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.213 1.161 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -22.461 1.838 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -22.179 2.204 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -22.110 3.507 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.686 1.807 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -20.118 3.453 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.990 2.080 -6.004 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.522 4.978 -4.457 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.396 6.340 -4.940 1.00 0.00 C ATOM 1267 C VAL A 84 -18.251 6.367 -6.467 1.00 0.00 C ATOM 1268 O VAL A 84 -18.575 7.399 -7.053 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.271 7.099 -4.198 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.581 7.241 -2.698 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.883 6.459 -4.350 1.00 0.00 C ATOM 0 H VAL A 84 -17.771 4.373 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.316 6.879 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.241 8.079 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.770 7.779 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.512 7.793 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.681 6.252 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.148 7.049 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.904 5.445 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.610 6.429 -5.405 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.863 5.264 -7.134 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.920 5.181 -8.601 1.00 0.00 C ATOM 1283 C GLU A 85 -17.911 3.725 -9.079 1.00 0.00 C ATOM 1284 O GLU A 85 -17.619 2.809 -8.310 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.745 5.961 -9.245 1.00 0.00 C ATOM 1286 CG GLU A 85 -17.182 7.182 -10.076 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.909 6.826 -11.386 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.931 6.106 -11.345 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -17.486 7.302 -12.465 1.00 0.00 O ATOM 0 H GLU A 85 -17.508 4.422 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.858 5.637 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.069 6.294 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.180 5.283 -9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.837 7.806 -9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.302 7.780 -10.313 1.00 0.00 H new ATOM 1296 N THR A 86 -18.199 3.511 -10.363 1.00 0.00 N ATOM 1297 CA THR A 86 -18.041 2.250 -11.079 1.00 0.00 C ATOM 1298 C THR A 86 -17.590 2.591 -12.505 1.00 0.00 C ATOM 1299 O THR A 86 -18.153 3.488 -13.139 1.00 0.00 O ATOM 1300 CB THR A 86 -19.375 1.479 -11.068 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.714 1.137 -9.742 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.360 0.203 -11.921 1.00 0.00 C ATOM 0 H THR A 86 -18.567 4.252 -10.960 1.00 0.00 H new ATOM 0 HA THR A 86 -17.297 1.608 -10.607 1.00 0.00 H new ATOM 0 HB THR A 86 -20.115 2.147 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.563 0.648 -9.737 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.333 -0.285 -11.863 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.144 0.461 -12.958 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.592 -0.475 -11.548 1.00 0.00 H new ATOM 1310 N SER A 87 -16.605 1.852 -13.015 1.00 0.00 N ATOM 1311 CA SER A 87 -16.008 2.049 -14.336 1.00 0.00 C ATOM 1312 C SER A 87 -15.740 0.675 -14.956 1.00 0.00 C ATOM 1313 O SER A 87 -15.540 -0.288 -14.219 1.00 0.00 O ATOM 1314 CB SER A 87 -14.704 2.851 -14.191 1.00 0.00 C ATOM 1315 OG SER A 87 -14.927 4.094 -13.539 1.00 0.00 O ATOM 0 H SER A 87 -16.187 1.075 -12.504 1.00 0.00 H new ATOM 0 HA SER A 87 -16.682 2.608 -14.985 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.978 2.267 -13.625 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.273 3.028 -15.176 1.00 0.00 H new ATOM 0 HG SER A 87 -14.079 4.579 -13.461 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.733 0.555 -16.286 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.662 -0.734 -16.978 1.00 0.00 C ATOM 1323 C VAL A 88 -14.612 -0.633 -18.088 1.00 0.00 C ATOM 1324 O VAL A 88 -14.440 0.432 -18.692 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.064 -1.123 -17.516 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.079 -2.530 -18.137 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.148 -1.096 -16.424 1.00 0.00 C ATOM 0 H VAL A 88 -15.777 1.355 -16.917 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.358 -1.527 -16.295 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.284 -0.372 -18.274 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.082 -2.757 -18.499 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.375 -2.568 -18.969 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.791 -3.263 -17.384 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.108 -1.376 -16.857 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.887 -1.800 -15.634 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.218 -0.092 -16.006 1.00 0.00 H new ATOM 1337 N GLY A 89 -13.927 -1.741 -18.373 1.00 0.00 N ATOM 1338 CA GLY A 89 -12.961 -1.851 -19.456 1.00 0.00 C ATOM 1339 C GLY A 89 -11.590 -1.300 -19.066 1.00 0.00 C ATOM 1340 O GLY A 89 -11.402 -0.744 -17.980 1.00 0.00 O ATOM 0 H GLY A 89 -14.034 -2.605 -17.842 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.861 -2.897 -19.746 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.332 -1.312 -20.328 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.620 -1.473 -19.967 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.250 -1.001 -19.786 1.00 0.00 C ATOM 1346 C PHE A 90 -9.216 0.520 -19.643 1.00 0.00 C ATOM 1347 O PHE A 90 -10.036 1.228 -20.234 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.389 -1.493 -20.962 1.00 0.00 C ATOM 1349 CG PHE A 90 -6.913 -1.151 -20.857 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.433 0.070 -21.372 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.017 -2.054 -20.253 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -5.068 0.393 -21.269 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -4.651 -1.735 -20.163 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.177 -0.511 -20.668 1.00 0.00 C ATOM 0 H PHE A 90 -10.769 -1.952 -20.855 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.837 -1.410 -18.864 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.492 -2.575 -21.042 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.782 -1.066 -21.885 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.115 0.759 -21.847 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.379 -2.992 -19.859 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.705 1.336 -21.652 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.964 -2.431 -19.705 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.128 -0.266 -20.594 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.253 1.012 -18.861 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.042 2.420 -18.547 1.00 0.00 C ATOM 1366 C LYS A 91 -6.546 2.596 -18.260 1.00 0.00 C ATOM 1367 O LYS A 91 -5.972 1.701 -17.636 1.00 0.00 O ATOM 1368 CB LYS A 91 -8.860 2.783 -17.287 1.00 0.00 C ATOM 1369 CG LYS A 91 -9.779 4.003 -17.436 1.00 0.00 C ATOM 1370 CD LYS A 91 -10.853 3.907 -18.530 1.00 0.00 C ATOM 1371 CE LYS A 91 -11.850 2.767 -18.271 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.595 2.404 -19.499 1.00 0.00 N ATOM 0 H LYS A 91 -7.567 0.407 -18.409 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.357 3.063 -19.369 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.467 1.922 -17.007 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.169 2.967 -16.465 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.275 4.178 -16.482 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.160 4.877 -17.638 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.393 4.852 -18.590 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.372 3.753 -19.496 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.316 1.893 -17.897 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.553 3.067 -17.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.339 1.717 -19.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.028 3.257 -19.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.941 1.983 -20.190 1.00 0.00 H new ATOM 1386 N PRO A 92 -5.911 3.707 -18.671 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.521 3.983 -18.333 1.00 0.00 C ATOM 1388 C PRO A 92 -4.397 4.411 -16.866 1.00 0.00 C ATOM 1389 O PRO A 92 -5.334 4.962 -16.281 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.097 5.105 -19.284 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.398 5.873 -19.519 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.461 4.776 -19.494 1.00 0.00 C ATOM 0 HA PRO A 92 -3.885 3.105 -18.444 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.329 5.739 -18.841 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.688 4.711 -20.214 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.571 6.619 -18.743 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.387 6.401 -20.472 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.397 5.148 -19.077 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.680 4.421 -20.501 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.204 4.236 -16.286 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.924 4.574 -14.890 1.00 0.00 C ATOM 1402 C LYS A 93 -3.198 6.049 -14.620 1.00 0.00 C ATOM 1403 O LYS A 93 -3.654 6.389 -13.534 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.466 4.182 -14.575 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.985 4.488 -13.142 1.00 0.00 C ATOM 1406 CD LYS A 93 0.212 5.455 -13.120 1.00 0.00 C ATOM 1407 CE LYS A 93 -0.189 6.862 -13.586 1.00 0.00 C ATOM 1408 NZ LYS A 93 0.928 7.834 -13.572 1.00 0.00 N ATOM 0 H LYS A 93 -2.399 3.851 -16.780 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.587 4.017 -14.229 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.349 3.114 -14.757 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.811 4.699 -15.276 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.807 4.918 -12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.706 3.557 -12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.619 5.508 -12.110 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.003 5.070 -13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.592 6.799 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.990 7.233 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.634 8.708 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.187 8.051 -12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.749 7.427 -14.065 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.913 6.935 -15.576 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.031 8.367 -15.371 1.00 0.00 C ATOM 1424 C GLU A 94 -4.488 8.783 -15.154 1.00 0.00 C ATOM 1425 O GLU A 94 -4.769 9.630 -14.304 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.371 9.061 -16.567 1.00 0.00 C ATOM 1427 CG GLU A 94 -2.113 10.551 -16.332 1.00 0.00 C ATOM 1428 CD GLU A 94 -1.018 10.880 -15.292 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -0.472 9.966 -14.631 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.687 12.079 -15.143 1.00 0.00 O ATOM 0 H GLU A 94 -2.595 6.674 -16.509 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.517 8.673 -14.460 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.426 8.566 -16.790 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.007 8.943 -17.444 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.837 11.008 -17.282 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.045 11.017 -16.013 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.421 8.138 -15.856 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.842 8.348 -15.658 1.00 0.00 C ATOM 1439 C ALA A 95 -7.280 7.820 -14.295 1.00 0.00 C ATOM 1440 O ALA A 95 -8.046 8.475 -13.592 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.603 7.609 -16.754 1.00 0.00 C ATOM 0 H ALA A 95 -5.203 7.453 -16.580 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.055 9.416 -15.700 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.674 7.758 -16.617 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.304 7.995 -17.728 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.375 6.544 -16.701 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.792 6.638 -13.913 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.172 6.006 -12.659 1.00 0.00 C ATOM 1449 C LEU A 96 -6.675 6.836 -11.482 1.00 0.00 C ATOM 1450 O LEU A 96 -7.442 7.074 -10.553 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.645 4.564 -12.570 1.00 0.00 C ATOM 1452 CG LEU A 96 -7.212 3.602 -13.631 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -6.608 2.204 -13.456 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -8.742 3.508 -13.576 1.00 0.00 C ATOM 0 H LEU A 96 -6.126 6.098 -14.465 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.260 5.957 -12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.559 4.583 -12.660 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.876 4.168 -11.581 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.939 4.007 -14.605 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.017 1.534 -14.212 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.525 2.259 -13.567 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.852 1.824 -12.464 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.092 2.818 -14.344 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.049 3.146 -12.595 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.174 4.494 -13.750 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.432 7.328 -11.517 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.926 8.146 -10.418 1.00 0.00 C ATOM 1468 C GLN A 97 -5.655 9.489 -10.369 1.00 0.00 C ATOM 1469 O GLN A 97 -5.834 10.035 -9.284 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.391 8.283 -10.427 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.794 9.093 -11.582 1.00 0.00 C ATOM 1472 CD GLN A 97 -2.869 10.614 -11.415 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.350 11.177 -10.455 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.507 11.311 -12.343 1.00 0.00 N ATOM 0 H GLN A 97 -4.772 7.177 -12.280 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.147 7.624 -9.487 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.082 8.744 -9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.957 7.283 -10.449 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.749 8.807 -11.704 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.309 8.818 -12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.934 10.833 -13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.571 12.326 -12.265 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.117 10.013 -11.513 1.00 0.00 N ATOM 1484 CA GLU A 98 -6.897 11.240 -11.532 1.00 0.00 C ATOM 1485 C GLU A 98 -8.222 10.963 -10.822 1.00 0.00 C ATOM 1486 O GLU A 98 -8.575 11.663 -9.876 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.098 11.731 -12.978 1.00 0.00 C ATOM 1488 CG GLU A 98 -7.847 13.069 -13.064 1.00 0.00 C ATOM 1489 CD GLU A 98 -7.005 14.263 -12.572 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -6.100 14.714 -13.309 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -7.256 14.774 -11.457 1.00 0.00 O ATOM 0 H GLU A 98 -5.960 9.600 -12.432 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.374 12.041 -11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.125 11.835 -13.458 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.650 10.976 -13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.148 13.245 -14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.760 13.007 -12.472 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.907 9.886 -11.209 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.181 9.496 -10.613 1.00 0.00 C ATOM 1500 C LEU A 99 -10.034 9.306 -9.101 1.00 0.00 C ATOM 1501 O LEU A 99 -10.852 9.805 -8.330 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.697 8.221 -11.306 1.00 0.00 C ATOM 1503 CG LEU A 99 -12.065 7.733 -10.796 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.162 8.785 -10.996 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.456 6.448 -11.537 1.00 0.00 C ATOM 0 H LEU A 99 -8.590 9.258 -11.948 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.914 10.288 -10.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.767 8.407 -12.378 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.966 7.425 -11.168 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.972 7.546 -9.726 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.110 8.398 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.900 9.692 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.257 9.014 -12.057 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.425 6.101 -11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.517 6.649 -12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.705 5.680 -11.355 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.967 8.636 -8.666 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.686 8.402 -7.258 1.00 0.00 C ATOM 1519 C VAL A 100 -8.454 9.736 -6.550 1.00 0.00 C ATOM 1520 O VAL A 100 -9.099 9.989 -5.536 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.498 7.426 -7.135 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.915 7.343 -5.715 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.948 6.020 -7.574 1.00 0.00 C ATOM 0 H VAL A 100 -8.268 8.237 -9.293 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.536 7.934 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.709 7.812 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.084 6.638 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.560 8.327 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.687 7.005 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.111 5.327 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.765 5.683 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.287 6.053 -8.609 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.584 10.611 -7.067 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.261 11.863 -6.375 1.00 0.00 C ATOM 1535 C ASN A 101 -8.461 12.808 -6.289 1.00 0.00 C ATOM 1536 O ASN A 101 -8.544 13.597 -5.349 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.006 12.549 -6.943 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.272 13.785 -7.798 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -5.979 14.912 -7.409 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -6.803 13.584 -8.986 1.00 0.00 N ATOM 0 H ASN A 101 -7.096 10.477 -7.953 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.014 11.589 -5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.360 12.833 -6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.455 11.824 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.980 14.374 -9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.038 12.638 -9.286 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.410 12.703 -7.223 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.689 13.405 -7.127 1.00 0.00 C ATOM 1549 C LYS A 102 -11.534 12.863 -5.967 1.00 0.00 C ATOM 1550 O LYS A 102 -12.218 13.651 -5.313 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.455 13.306 -8.457 1.00 0.00 C ATOM 1552 CG LYS A 102 -10.813 14.168 -9.560 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.382 13.871 -10.958 1.00 0.00 C ATOM 1554 CE LYS A 102 -12.894 14.109 -11.102 1.00 0.00 C ATOM 1555 NZ LYS A 102 -13.274 15.541 -10.981 1.00 0.00 N ATOM 0 H LYS A 102 -9.313 12.132 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.485 14.456 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.485 12.266 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.487 13.622 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.967 15.222 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.736 13.997 -9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.860 14.491 -11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.166 12.833 -11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.224 13.732 -12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.420 13.534 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.304 15.637 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.987 15.899 -10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.797 16.091 -11.724 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.501 11.553 -5.698 1.00 0.00 N ATOM 1570 CA HIS A 103 -12.250 10.945 -4.599 1.00 0.00 C ATOM 1571 C HIS A 103 -11.564 11.099 -3.237 1.00 0.00 C ATOM 1572 O HIS A 103 -12.265 11.040 -2.224 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.526 9.460 -4.885 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.590 9.238 -5.931 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -14.915 9.616 -5.845 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.437 8.589 -7.126 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.536 9.205 -6.964 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.673 8.575 -7.780 1.00 0.00 N ATOM 0 H HIS A 103 -10.952 10.885 -6.239 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.193 11.489 -4.540 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.602 8.983 -5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.829 8.970 -3.960 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.347 10.118 -5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.519 8.161 -7.500 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.583 9.359 -7.178 1.00 0.00 H new ATOM 1586 N LEU A 104 -10.237 11.275 -3.178 1.00 0.00 N ATOM 1587 CA LEU A 104 -9.502 11.480 -1.923 1.00 0.00 C ATOM 1588 C LEU A 104 -10.110 12.642 -1.141 1.00 0.00 C ATOM 1589 O LEU A 104 -10.393 12.453 0.060 1.00 0.00 O ATOM 1590 CB LEU A 104 -8.000 11.742 -2.155 1.00 0.00 C ATOM 1591 CG LEU A 104 -7.156 10.537 -2.610 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.709 10.988 -2.835 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -7.155 9.390 -1.596 1.00 0.00 C ATOM 1594 OXT LEU A 104 -10.279 13.738 -1.716 1.00 0.00 O ATOM 0 H LEU A 104 -9.640 11.279 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.590 10.558 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.902 12.529 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.574 12.127 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.606 10.165 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.109 10.137 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.684 11.761 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.303 11.387 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.543 8.571 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.746 9.742 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.176 9.040 -1.442 1.00 0.00 H new TER 1606 LEU A 104