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 46 MET CE :methyl 180:sc= -0.124 (180deg=-0.124) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.0112 K(o=-0.11,f=-0.93) USER MOD Set 2.1: A 29 CYS SG : rot 130:sc= 0.395 USER MOD Set 2.2: A 32 CYS SG : rot 76:sc= 0.14 USER MOD Set 3.1: A 7 THR OG1 : rot 108:sc= 1.2 USER MOD Set 3.2: A 9 GLN : amide:sc= 0.671 K(o=1.9,f=-3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.904 (180deg=0.34) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 1.08 (180deg=0.83) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 15 THR OG1 : rot -80:sc= 1.31 USER MOD Single : A 16 SER OG : rot 112:sc= 1.29 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.163 X(o=0.16,f=-0.014) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0.725 (180deg=0.723) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 3.73 (180deg=3.64) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 60 ASN : amide:sc= 0.671 K(o=0.67,f=-8.2!) USER MOD Single : A 61 GLN : amide:sc= 0.99 K(o=0.99,f=0) USER MOD Single : A 63 THR OG1 : rot -35:sc= 0.776 USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= 1.92 (180deg=1.74) USER MOD Single : A 67 TYR OH : rot -160:sc= 0.0243 USER MOD Single : A 70 MET CE :methyl 158:sc= 0 (180deg=-0.00341) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 105:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= 1.78 (180deg=1.25) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.000956 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 2.27 (180deg=1.85) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 2.38 (180deg=2.3) USER MOD Single : A 101 ASN : amide:sc= 0.467 X(o=0.47,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.978 -0.005 -2.521 1.00 0.00 N ATOM 2 CA MET A 1 2.639 -0.913 -1.562 1.00 0.00 C ATOM 3 C MET A 1 2.460 -2.358 -2.039 1.00 0.00 C ATOM 4 O MET A 1 3.426 -2.950 -2.527 1.00 0.00 O ATOM 5 CB MET A 1 2.170 -0.654 -0.113 1.00 0.00 C ATOM 6 CG MET A 1 3.041 -1.338 0.951 1.00 0.00 C ATOM 7 SD MET A 1 2.855 -3.138 1.118 1.00 0.00 S ATOM 8 CE MET A 1 4.036 -3.442 2.459 1.00 0.00 C ATOM 0 H1 MET A 1 2.433 0.930 -2.484 1.00 0.00 H new ATOM 0 H2 MET A 1 2.063 -0.393 -3.482 1.00 0.00 H new ATOM 0 H3 MET A 1 0.972 0.089 -2.273 1.00 0.00 H new ATOM 0 HA MET A 1 3.710 -0.715 -1.534 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.165 0.420 0.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.142 -1.001 -0.006 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.086 -1.123 0.727 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.822 -0.882 1.916 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.053 -4.506 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.031 -3.124 2.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.736 -2.879 3.343 1.00 0.00 H new ATOM 20 N ALA A 2 1.256 -2.930 -1.921 1.00 0.00 N ATOM 21 CA ALA A 2 0.880 -4.202 -2.524 1.00 0.00 C ATOM 22 C ALA A 2 -0.637 -4.208 -2.692 1.00 0.00 C ATOM 23 O ALA A 2 -1.367 -3.687 -1.844 1.00 0.00 O ATOM 24 CB ALA A 2 1.308 -5.375 -1.630 1.00 0.00 C ATOM 0 H ALA A 2 0.499 -2.504 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 2 1.377 -4.316 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.017 -6.315 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.390 -5.355 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.821 -5.289 -0.659 1.00 0.00 H new ATOM 30 N ILE A 3 -1.099 -4.821 -3.780 1.00 0.00 N ATOM 31 CA ILE A 3 -2.515 -4.971 -4.083 1.00 0.00 C ATOM 32 C ILE A 3 -3.063 -6.077 -3.177 1.00 0.00 C ATOM 33 O ILE A 3 -2.378 -7.067 -2.899 1.00 0.00 O ATOM 34 CB ILE A 3 -2.667 -5.253 -5.596 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.143 -4.022 -6.376 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.123 -5.580 -5.977 1.00 0.00 C ATOM 37 CD1 ILE A 3 -2.094 -4.206 -7.889 1.00 0.00 C ATOM 0 H ILE A 3 -0.488 -5.233 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.095 -4.070 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.081 -6.134 -5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.777 -3.166 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.142 -3.781 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.185 -5.771 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.452 -6.464 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.764 -4.736 -5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.715 -3.296 -8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.435 -5.039 -8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.096 -4.414 -8.263 1.00 0.00 H new ATOM 49 N VAL A 4 -4.306 -5.915 -2.733 1.00 0.00 N ATOM 50 CA VAL A 4 -4.965 -6.791 -1.775 1.00 0.00 C ATOM 51 C VAL A 4 -5.970 -7.639 -2.563 1.00 0.00 C ATOM 52 O VAL A 4 -6.265 -7.360 -3.728 1.00 0.00 O ATOM 53 CB VAL A 4 -5.585 -5.920 -0.652 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.216 -6.732 0.493 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.537 -4.980 -0.023 1.00 0.00 C ATOM 0 H VAL A 4 -4.900 -5.145 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.286 -7.478 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.371 -5.357 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.627 -6.051 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.013 -7.361 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.455 -7.360 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.006 -4.384 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.728 -5.572 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.135 -4.318 -0.790 1.00 0.00 H new ATOM 65 N LYS A 5 -6.492 -8.698 -1.952 1.00 0.00 N ATOM 66 CA LYS A 5 -7.433 -9.625 -2.567 1.00 0.00 C ATOM 67 C LYS A 5 -8.476 -9.927 -1.503 1.00 0.00 C ATOM 68 O LYS A 5 -8.103 -10.158 -0.349 1.00 0.00 O ATOM 69 CB LYS A 5 -6.725 -10.918 -3.029 1.00 0.00 C ATOM 70 CG LYS A 5 -5.606 -10.707 -4.069 1.00 0.00 C ATOM 71 CD LYS A 5 -4.206 -10.507 -3.462 1.00 0.00 C ATOM 72 CE LYS A 5 -3.233 -10.032 -4.550 1.00 0.00 C ATOM 73 NZ LYS A 5 -1.906 -9.660 -3.995 1.00 0.00 N ATOM 0 H LYS A 5 -6.265 -8.941 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.886 -9.192 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.301 -11.415 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.470 -11.593 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.580 -11.568 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.852 -9.838 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.250 -9.775 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.851 -11.441 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.106 -10.821 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.661 -9.174 -5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.202 -9.642 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.965 -8.719 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.621 -10.359 -3.279 1.00 0.00 H new ATOM 87 N ALA A 6 -9.756 -9.906 -1.864 1.00 0.00 N ATOM 88 CA ALA A 6 -10.848 -10.171 -0.932 1.00 0.00 C ATOM 89 C ALA A 6 -11.973 -10.941 -1.620 1.00 0.00 C ATOM 90 O ALA A 6 -11.979 -11.093 -2.844 1.00 0.00 O ATOM 91 CB ALA A 6 -11.360 -8.851 -0.344 1.00 0.00 C ATOM 0 H ALA A 6 -10.066 -9.704 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.475 -10.792 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.175 -9.054 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.549 -8.349 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.720 -8.210 -1.148 1.00 0.00 H new ATOM 97 N THR A 7 -12.936 -11.407 -0.827 1.00 0.00 N ATOM 98 CA THR A 7 -14.109 -12.135 -1.286 1.00 0.00 C ATOM 99 C THR A 7 -15.325 -11.559 -0.549 1.00 0.00 C ATOM 100 O THR A 7 -15.138 -10.778 0.385 1.00 0.00 O ATOM 101 CB THR A 7 -13.911 -13.646 -1.037 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.715 -13.923 0.335 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.710 -14.232 -1.787 1.00 0.00 C ATOM 0 H THR A 7 -12.917 -11.282 0.185 1.00 0.00 H new ATOM 0 HA THR A 7 -14.268 -12.020 -2.358 1.00 0.00 H new ATOM 0 HB THR A 7 -14.827 -14.107 -1.406 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.514 -14.358 0.698 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.628 -15.297 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.847 -14.092 -2.859 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.799 -13.725 -1.468 1.00 0.00 H new ATOM 111 N ASP A 8 -16.557 -11.935 -0.905 1.00 0.00 N ATOM 112 CA ASP A 8 -17.792 -11.394 -0.314 1.00 0.00 C ATOM 113 C ASP A 8 -17.777 -11.403 1.219 1.00 0.00 C ATOM 114 O ASP A 8 -18.337 -10.521 1.870 1.00 0.00 O ATOM 115 CB ASP A 8 -19.009 -12.209 -0.777 1.00 0.00 C ATOM 116 CG ASP A 8 -20.306 -11.455 -0.445 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.582 -10.433 -1.121 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.051 -11.887 0.462 1.00 0.00 O ATOM 0 H ASP A 8 -16.731 -12.636 -1.625 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.857 -10.360 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.949 -12.390 -1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.011 -13.184 -0.289 1.00 0.00 H new ATOM 123 N GLN A 9 -17.100 -12.406 1.779 1.00 0.00 N ATOM 124 CA GLN A 9 -16.944 -12.661 3.198 1.00 0.00 C ATOM 125 C GLN A 9 -16.182 -11.541 3.928 1.00 0.00 C ATOM 126 O GLN A 9 -16.464 -11.307 5.106 1.00 0.00 O ATOM 127 CB GLN A 9 -16.230 -14.014 3.375 1.00 0.00 C ATOM 128 CG GLN A 9 -17.036 -15.236 2.870 1.00 0.00 C ATOM 129 CD GLN A 9 -17.097 -15.385 1.342 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.219 -14.913 0.629 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.130 -16.008 0.793 1.00 0.00 N ATOM 0 H GLN A 9 -16.618 -13.102 1.211 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.935 -12.690 3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.277 -13.980 2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -16.004 -14.156 4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.598 -16.141 3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.054 -15.166 3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.862 -16.401 1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.193 -16.094 -0.221 1.00 0.00 H new ATOM 140 N SER A 10 -15.255 -10.843 3.257 1.00 0.00 N ATOM 141 CA SER A 10 -14.364 -9.865 3.902 1.00 0.00 C ATOM 142 C SER A 10 -14.147 -8.578 3.095 1.00 0.00 C ATOM 143 O SER A 10 -13.552 -7.629 3.607 1.00 0.00 O ATOM 144 CB SER A 10 -13.012 -10.531 4.209 1.00 0.00 C ATOM 145 OG SER A 10 -13.172 -11.762 4.902 1.00 0.00 O ATOM 0 H SER A 10 -15.101 -10.939 2.253 1.00 0.00 H new ATOM 0 HA SER A 10 -14.862 -9.554 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.474 -10.706 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.402 -9.854 4.807 1.00 0.00 H new ATOM 0 HG SER A 10 -12.292 -12.155 5.078 1.00 0.00 H new ATOM 151 N PHE A 11 -14.646 -8.503 1.861 1.00 0.00 N ATOM 152 CA PHE A 11 -14.549 -7.331 0.998 1.00 0.00 C ATOM 153 C PHE A 11 -15.138 -6.097 1.678 1.00 0.00 C ATOM 154 O PHE A 11 -14.614 -4.995 1.515 1.00 0.00 O ATOM 155 CB PHE A 11 -15.274 -7.643 -0.319 1.00 0.00 C ATOM 156 CG PHE A 11 -15.302 -6.513 -1.329 1.00 0.00 C ATOM 157 CD1 PHE A 11 -14.238 -6.354 -2.237 1.00 0.00 C ATOM 158 CD2 PHE A 11 -16.406 -5.640 -1.387 1.00 0.00 C ATOM 159 CE1 PHE A 11 -14.284 -5.342 -3.207 1.00 0.00 C ATOM 160 CE2 PHE A 11 -16.448 -4.625 -2.357 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.393 -4.481 -3.272 1.00 0.00 C ATOM 0 H PHE A 11 -15.143 -9.279 1.424 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.502 -7.106 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.798 -8.508 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.301 -7.929 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.384 -7.013 -2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.220 -5.751 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.467 -5.224 -3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.293 -3.954 -2.399 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.434 -3.709 -4.026 1.00 0.00 H new ATOM 171 N SER A 12 -16.194 -6.271 2.472 1.00 0.00 N ATOM 172 CA SER A 12 -16.830 -5.197 3.210 1.00 0.00 C ATOM 173 C SER A 12 -15.868 -4.583 4.223 1.00 0.00 C ATOM 174 O SER A 12 -15.698 -3.364 4.255 1.00 0.00 O ATOM 175 CB SER A 12 -18.100 -5.748 3.874 1.00 0.00 C ATOM 176 OG SER A 12 -17.874 -7.052 4.400 1.00 0.00 O ATOM 0 H SER A 12 -16.634 -7.180 2.618 1.00 0.00 H new ATOM 0 HA SER A 12 -17.110 -4.391 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.416 -5.079 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.911 -5.781 3.146 1.00 0.00 H new ATOM 0 HG SER A 12 -18.696 -7.382 4.820 1.00 0.00 H new ATOM 182 N ALA A 13 -15.196 -5.421 5.012 1.00 0.00 N ATOM 183 CA ALA A 13 -14.205 -4.971 5.975 1.00 0.00 C ATOM 184 C ALA A 13 -13.061 -4.261 5.250 1.00 0.00 C ATOM 185 O ALA A 13 -12.641 -3.181 5.665 1.00 0.00 O ATOM 186 CB ALA A 13 -13.689 -6.158 6.796 1.00 0.00 C ATOM 0 H ALA A 13 -15.328 -6.432 4.997 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.666 -4.262 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.947 -5.809 7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.520 -6.621 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.233 -6.890 6.130 1.00 0.00 H new ATOM 192 N GLU A 14 -12.578 -4.840 4.146 1.00 0.00 N ATOM 193 CA GLU A 14 -11.445 -4.297 3.408 1.00 0.00 C ATOM 194 C GLU A 14 -11.774 -2.939 2.796 1.00 0.00 C ATOM 195 O GLU A 14 -10.919 -2.052 2.803 1.00 0.00 O ATOM 196 CB GLU A 14 -10.982 -5.278 2.321 1.00 0.00 C ATOM 197 CG GLU A 14 -10.249 -6.491 2.911 1.00 0.00 C ATOM 198 CD GLU A 14 -8.920 -6.153 3.617 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.343 -5.069 3.370 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.445 -6.982 4.428 1.00 0.00 O ATOM 0 H GLU A 14 -12.963 -5.695 3.744 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.630 -4.154 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.845 -5.619 1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.323 -4.761 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.908 -6.987 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.050 -7.204 2.111 1.00 0.00 H new ATOM 207 N THR A 15 -12.997 -2.740 2.305 1.00 0.00 N ATOM 208 CA THR A 15 -13.405 -1.489 1.685 1.00 0.00 C ATOM 209 C THR A 15 -13.742 -0.401 2.719 1.00 0.00 C ATOM 210 O THR A 15 -14.058 0.725 2.329 1.00 0.00 O ATOM 211 CB THR A 15 -14.518 -1.740 0.654 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.572 -2.526 1.167 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.949 -2.441 -0.588 1.00 0.00 C ATOM 0 H THR A 15 -13.732 -3.447 2.328 1.00 0.00 H new ATOM 0 HA THR A 15 -12.555 -1.084 1.136 1.00 0.00 H new ATOM 0 HB THR A 15 -14.919 -0.760 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.316 -3.472 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.749 -2.612 -1.308 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.181 -1.813 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.512 -3.397 -0.298 1.00 0.00 H new ATOM 221 N SER A 16 -13.628 -0.694 4.021 1.00 0.00 N ATOM 222 CA SER A 16 -14.087 0.171 5.105 1.00 0.00 C ATOM 223 C SER A 16 -12.920 0.741 5.916 1.00 0.00 C ATOM 224 O SER A 16 -13.033 0.926 7.129 1.00 0.00 O ATOM 225 CB SER A 16 -15.114 -0.574 5.973 1.00 0.00 C ATOM 226 OG SER A 16 -16.232 -0.977 5.210 1.00 0.00 O ATOM 0 H SER A 16 -13.204 -1.560 4.353 1.00 0.00 H new ATOM 0 HA SER A 16 -14.589 1.037 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.645 -1.448 6.426 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.441 0.071 6.789 1.00 0.00 H new ATOM 0 HG SER A 16 -16.239 -1.954 5.130 1.00 0.00 H new ATOM 232 N GLU A 17 -11.791 1.021 5.252 1.00 0.00 N ATOM 233 CA GLU A 17 -10.589 1.543 5.912 1.00 0.00 C ATOM 234 C GLU A 17 -9.980 2.760 5.201 1.00 0.00 C ATOM 235 O GLU A 17 -8.976 3.300 5.675 1.00 0.00 O ATOM 236 CB GLU A 17 -9.537 0.427 6.045 1.00 0.00 C ATOM 237 CG GLU A 17 -10.010 -0.774 6.875 1.00 0.00 C ATOM 238 CD GLU A 17 -8.860 -1.754 7.160 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.142 -2.142 6.210 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.668 -2.148 8.334 1.00 0.00 O ATOM 0 H GLU A 17 -11.686 0.892 4.246 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.900 1.887 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.259 0.082 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.638 0.841 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.431 -0.423 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.808 -1.293 6.343 1.00 0.00 H new ATOM 247 N GLY A 18 -10.546 3.209 4.078 1.00 0.00 N ATOM 248 CA GLY A 18 -9.937 4.257 3.271 1.00 0.00 C ATOM 249 C GLY A 18 -10.596 4.341 1.908 1.00 0.00 C ATOM 250 O GLY A 18 -11.672 3.773 1.715 1.00 0.00 O ATOM 0 H GLY A 18 -11.430 2.858 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.028 5.215 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.872 4.058 3.153 1.00 0.00 H new ATOM 254 N VAL A 19 -9.975 5.067 0.976 1.00 0.00 N ATOM 255 CA VAL A 19 -10.355 4.997 -0.430 1.00 0.00 C ATOM 256 C VAL A 19 -9.852 3.634 -0.905 1.00 0.00 C ATOM 257 O VAL A 19 -8.710 3.260 -0.615 1.00 0.00 O ATOM 258 CB VAL A 19 -9.738 6.159 -1.237 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.112 6.092 -2.728 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.224 7.511 -0.705 1.00 0.00 C ATOM 0 H VAL A 19 -9.207 5.709 1.173 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.431 5.096 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.658 6.062 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.655 6.929 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.750 5.155 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.196 6.144 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.776 8.314 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.310 7.565 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.933 7.617 0.340 1.00 0.00 H new ATOM 270 N VAL A 20 -10.681 2.888 -1.629 1.00 0.00 N ATOM 271 CA VAL A 20 -10.363 1.547 -2.077 1.00 0.00 C ATOM 272 C VAL A 20 -10.821 1.427 -3.527 1.00 0.00 C ATOM 273 O VAL A 20 -12.004 1.597 -3.823 1.00 0.00 O ATOM 274 CB VAL A 20 -10.996 0.495 -1.140 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.538 -0.907 -1.555 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.625 0.730 0.339 1.00 0.00 C ATOM 0 H VAL A 20 -11.604 3.208 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.291 1.356 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.078 0.588 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.986 -1.647 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.850 -1.103 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.452 -0.970 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.094 -0.035 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.542 0.678 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.976 1.714 0.650 1.00 0.00 H new ATOM 286 N LEU A 21 -9.883 1.158 -4.436 1.00 0.00 N ATOM 287 CA LEU A 21 -10.174 0.825 -5.821 1.00 0.00 C ATOM 288 C LEU A 21 -10.355 -0.686 -5.874 1.00 0.00 C ATOM 289 O LEU A 21 -9.377 -1.438 -5.895 1.00 0.00 O ATOM 290 CB LEU A 21 -9.023 1.289 -6.728 1.00 0.00 C ATOM 291 CG LEU A 21 -9.246 0.999 -8.224 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.455 1.767 -8.773 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.999 1.416 -9.010 1.00 0.00 C ATOM 0 H LEU A 21 -8.886 1.167 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.075 1.326 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.879 2.361 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.103 0.801 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.436 -0.069 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.582 1.538 -9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.352 1.472 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.292 2.838 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.152 1.213 -10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.818 2.481 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.138 0.851 -8.653 1.00 0.00 H new ATOM 305 N ALA A 22 -11.597 -1.146 -5.836 1.00 0.00 N ATOM 306 CA ALA A 22 -11.885 -2.542 -6.097 1.00 0.00 C ATOM 307 C ALA A 22 -11.801 -2.787 -7.600 1.00 0.00 C ATOM 308 O ALA A 22 -12.141 -1.913 -8.400 1.00 0.00 O ATOM 309 CB ALA A 22 -13.271 -2.885 -5.567 1.00 0.00 C ATOM 0 H ALA A 22 -12.415 -0.574 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.160 -3.180 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.486 -3.935 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.305 -2.703 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.015 -2.263 -6.064 1.00 0.00 H new ATOM 315 N ASP A 23 -11.413 -4.003 -7.970 1.00 0.00 N ATOM 316 CA ASP A 23 -11.334 -4.474 -9.342 1.00 0.00 C ATOM 317 C ASP A 23 -11.995 -5.845 -9.388 1.00 0.00 C ATOM 318 O ASP A 23 -11.429 -6.859 -8.958 1.00 0.00 O ATOM 319 CB ASP A 23 -9.885 -4.507 -9.836 1.00 0.00 C ATOM 320 CG ASP A 23 -9.774 -5.155 -11.225 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.669 -4.946 -12.074 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.756 -5.842 -11.468 1.00 0.00 O ATOM 0 H ASP A 23 -11.135 -4.713 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.855 -3.794 -10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.490 -3.492 -9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.271 -5.060 -9.126 1.00 0.00 H new ATOM 327 N PHE A 24 -13.254 -5.827 -9.817 1.00 0.00 N ATOM 328 CA PHE A 24 -14.053 -6.998 -10.098 1.00 0.00 C ATOM 329 C PHE A 24 -13.513 -7.558 -11.409 1.00 0.00 C ATOM 330 O PHE A 24 -13.613 -6.899 -12.449 1.00 0.00 O ATOM 331 CB PHE A 24 -15.542 -6.614 -10.174 1.00 0.00 C ATOM 332 CG PHE A 24 -16.125 -6.205 -8.830 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.845 -4.935 -8.287 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.897 -7.119 -8.087 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.291 -4.605 -6.997 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.354 -6.781 -6.802 1.00 0.00 C ATOM 337 CZ PHE A 24 -17.035 -5.531 -6.249 1.00 0.00 C ATOM 0 H PHE A 24 -13.759 -4.956 -9.983 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.987 -7.755 -9.316 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.663 -5.793 -10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -16.109 -7.458 -10.567 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.286 -4.214 -8.865 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.139 -8.084 -8.507 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.061 -3.636 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.951 -7.483 -6.239 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.361 -5.282 -5.250 1.00 0.00 H new ATOM 347 N TRP A 25 -12.911 -8.744 -11.351 1.00 0.00 N ATOM 348 CA TRP A 25 -12.148 -9.321 -12.455 1.00 0.00 C ATOM 349 C TRP A 25 -12.493 -10.800 -12.619 1.00 0.00 C ATOM 350 O TRP A 25 -13.250 -11.353 -11.817 1.00 0.00 O ATOM 351 CB TRP A 25 -10.641 -9.110 -12.215 1.00 0.00 C ATOM 352 CG TRP A 25 -9.996 -10.023 -11.214 1.00 0.00 C ATOM 353 CD1 TRP A 25 -10.255 -10.033 -9.892 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.996 -11.070 -11.426 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.547 -11.045 -9.279 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.732 -11.702 -10.173 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.272 -11.543 -12.542 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.808 -12.748 -10.037 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.326 -12.578 -12.412 1.00 0.00 C ATOM 360 CH2 TRP A 25 -7.104 -13.192 -11.168 1.00 0.00 C ATOM 0 H TRP A 25 -12.940 -9.340 -10.524 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.414 -8.817 -13.384 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.123 -9.225 -13.167 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.486 -8.081 -11.890 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.920 -9.348 -9.386 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.618 -11.277 -8.288 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.447 -11.103 -13.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.640 -13.207 -9.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.766 -12.903 -13.276 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.395 -14.002 -11.082 1.00 0.00 H new ATOM 371 N ALA A 26 -11.933 -11.442 -13.647 1.00 0.00 N ATOM 372 CA ALA A 26 -11.967 -12.886 -13.825 1.00 0.00 C ATOM 373 C ALA A 26 -10.691 -13.289 -14.575 1.00 0.00 C ATOM 374 O ALA A 26 -10.250 -12.533 -15.446 1.00 0.00 O ATOM 375 CB ALA A 26 -13.210 -13.297 -14.620 1.00 0.00 C ATOM 0 H ALA A 26 -11.434 -10.957 -14.392 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.015 -13.389 -12.859 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.221 -14.380 -14.745 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.105 -12.985 -14.083 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.190 -12.819 -15.600 1.00 0.00 H new ATOM 381 N PRO A 27 -10.096 -14.458 -14.290 1.00 0.00 N ATOM 382 CA PRO A 27 -8.776 -14.810 -14.803 1.00 0.00 C ATOM 383 C PRO A 27 -8.770 -15.135 -16.299 1.00 0.00 C ATOM 384 O PRO A 27 -7.721 -15.034 -16.935 1.00 0.00 O ATOM 385 CB PRO A 27 -8.316 -16.001 -13.954 1.00 0.00 C ATOM 386 CG PRO A 27 -9.622 -16.657 -13.510 1.00 0.00 C ATOM 387 CD PRO A 27 -10.581 -15.476 -13.371 1.00 0.00 C ATOM 0 HA PRO A 27 -8.095 -13.963 -14.721 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.699 -16.689 -14.531 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.720 -15.678 -13.100 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.978 -17.380 -14.244 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.503 -17.191 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.601 -15.770 -13.617 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.595 -15.103 -12.347 1.00 0.00 H new ATOM 395 N TRP A 28 -9.914 -15.506 -16.879 1.00 0.00 N ATOM 396 CA TRP A 28 -10.030 -15.810 -18.301 1.00 0.00 C ATOM 397 C TRP A 28 -10.233 -14.546 -19.151 1.00 0.00 C ATOM 398 O TRP A 28 -10.208 -14.632 -20.381 1.00 0.00 O ATOM 399 CB TRP A 28 -11.157 -16.837 -18.496 1.00 0.00 C ATOM 400 CG TRP A 28 -12.409 -16.668 -17.675 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.120 -15.527 -17.519 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.109 -17.674 -16.877 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.222 -15.766 -16.727 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.254 -17.069 -16.278 1.00 0.00 C ATOM 405 CE3 TRP A 28 -12.885 -19.039 -16.588 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.129 -17.778 -15.441 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -13.757 -19.761 -15.749 1.00 0.00 C ATOM 408 CH2 TRP A 28 -14.876 -19.133 -15.175 1.00 0.00 C ATOM 0 H TRP A 28 -10.791 -15.604 -16.368 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.093 -16.243 -18.652 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.442 -16.826 -19.548 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -10.749 -17.826 -18.286 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.862 -14.571 -17.951 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.927 -15.065 -16.501 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.029 -19.538 -17.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -15.987 -17.287 -15.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.564 -20.804 -15.546 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.539 -19.691 -14.531 1.00 0.00 H new ATOM 419 N CYS A 29 -10.448 -13.378 -18.532 1.00 0.00 N ATOM 420 CA CYS A 29 -10.681 -12.133 -19.247 1.00 0.00 C ATOM 421 C CYS A 29 -9.324 -11.512 -19.597 1.00 0.00 C ATOM 422 O CYS A 29 -8.565 -11.142 -18.699 1.00 0.00 O ATOM 423 CB CYS A 29 -11.524 -11.209 -18.361 1.00 0.00 C ATOM 424 SG CYS A 29 -11.856 -9.639 -19.210 1.00 0.00 S ATOM 0 H CYS A 29 -10.464 -13.278 -17.517 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.228 -12.301 -20.175 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.465 -11.698 -18.108 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.001 -11.018 -17.424 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.128 -9.377 -19.156 1.00 0.00 H new ATOM 430 N GLY A 30 -9.034 -11.365 -20.893 1.00 0.00 N ATOM 431 CA GLY A 30 -7.816 -10.725 -21.384 1.00 0.00 C ATOM 432 C GLY A 30 -7.631 -9.317 -20.808 1.00 0.00 C ATOM 433 O GLY A 30 -6.622 -9.078 -20.149 1.00 0.00 O ATOM 0 H GLY A 30 -9.649 -11.692 -21.638 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.954 -11.339 -21.123 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.850 -10.669 -22.472 1.00 0.00 H new ATOM 437 N PRO A 31 -8.586 -8.385 -20.980 1.00 0.00 N ATOM 438 CA PRO A 31 -8.518 -7.052 -20.387 1.00 0.00 C ATOM 439 C PRO A 31 -8.229 -7.024 -18.877 1.00 0.00 C ATOM 440 O PRO A 31 -7.487 -6.150 -18.429 1.00 0.00 O ATOM 441 CB PRO A 31 -9.846 -6.386 -20.748 1.00 0.00 C ATOM 442 CG PRO A 31 -10.184 -7.017 -22.097 1.00 0.00 C ATOM 443 CD PRO A 31 -9.678 -8.452 -21.943 1.00 0.00 C ATOM 0 HA PRO A 31 -7.661 -6.511 -20.788 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.616 -6.588 -20.003 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.749 -5.303 -20.821 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.255 -6.986 -22.300 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.689 -6.501 -22.919 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.471 -9.111 -21.590 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.334 -8.850 -22.898 1.00 0.00 H new ATOM 451 N CYS A 32 -8.740 -7.979 -18.085 1.00 0.00 N ATOM 452 CA CYS A 32 -8.388 -8.078 -16.665 1.00 0.00 C ATOM 453 C CYS A 32 -6.888 -8.343 -16.464 1.00 0.00 C ATOM 454 O CYS A 32 -6.295 -7.808 -15.527 1.00 0.00 O ATOM 455 CB CYS A 32 -9.185 -9.181 -15.957 1.00 0.00 C ATOM 456 SG CYS A 32 -10.952 -8.779 -15.877 1.00 0.00 S ATOM 0 H CYS A 32 -9.397 -8.691 -18.405 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.642 -7.114 -16.225 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.049 -10.125 -16.485 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.797 -9.321 -14.948 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.492 -8.962 -17.045 1.00 0.00 H new ATOM 462 N LYS A 33 -6.254 -9.147 -17.326 1.00 0.00 N ATOM 463 CA LYS A 33 -4.800 -9.317 -17.291 1.00 0.00 C ATOM 464 C LYS A 33 -4.117 -8.032 -17.749 1.00 0.00 C ATOM 465 O LYS A 33 -3.142 -7.616 -17.130 1.00 0.00 O ATOM 466 CB LYS A 33 -4.342 -10.492 -18.170 1.00 0.00 C ATOM 467 CG LYS A 33 -4.930 -11.839 -17.728 1.00 0.00 C ATOM 468 CD LYS A 33 -4.366 -12.975 -18.592 1.00 0.00 C ATOM 469 CE LYS A 33 -4.981 -14.314 -18.171 1.00 0.00 C ATOM 470 NZ LYS A 33 -4.439 -15.456 -18.949 1.00 0.00 N ATOM 0 H LYS A 33 -6.724 -9.687 -18.052 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.516 -9.540 -16.262 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.629 -10.298 -19.203 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.254 -10.552 -18.148 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.695 -12.020 -16.679 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.017 -11.814 -17.812 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.580 -12.783 -19.643 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.282 -13.016 -18.489 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.793 -14.479 -17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.062 -14.271 -18.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.886 -16.338 -18.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.640 -15.314 -19.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.411 -15.517 -18.806 1.00 0.00 H new ATOM 484 N MET A 34 -4.627 -7.384 -18.801 1.00 0.00 N ATOM 485 CA MET A 34 -4.005 -6.193 -19.380 1.00 0.00 C ATOM 486 C MET A 34 -3.963 -5.046 -18.370 1.00 0.00 C ATOM 487 O MET A 34 -2.974 -4.316 -18.329 1.00 0.00 O ATOM 488 CB MET A 34 -4.752 -5.742 -20.646 1.00 0.00 C ATOM 489 CG MET A 34 -4.684 -6.772 -21.778 1.00 0.00 C ATOM 490 SD MET A 34 -5.775 -6.394 -23.178 1.00 0.00 S ATOM 491 CE MET A 34 -5.532 -7.899 -24.159 1.00 0.00 C ATOM 0 H MET A 34 -5.483 -7.672 -19.274 1.00 0.00 H new ATOM 0 HA MET A 34 -2.983 -6.459 -19.650 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.796 -5.552 -20.397 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.330 -4.799 -20.994 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.657 -6.836 -22.137 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.945 -7.753 -21.380 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.132 -7.842 -25.067 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.479 -7.994 -24.425 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.838 -8.767 -23.575 1.00 0.00 H new ATOM 501 N ILE A 35 -5.005 -4.879 -17.548 1.00 0.00 N ATOM 502 CA ILE A 35 -5.057 -3.795 -16.568 1.00 0.00 C ATOM 503 C ILE A 35 -4.213 -4.111 -15.318 1.00 0.00 C ATOM 504 O ILE A 35 -3.890 -3.194 -14.567 1.00 0.00 O ATOM 505 CB ILE A 35 -6.531 -3.413 -16.275 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.628 -1.981 -15.703 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.245 -4.446 -15.390 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.065 -1.487 -15.501 1.00 0.00 C ATOM 0 H ILE A 35 -5.826 -5.485 -17.544 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.590 -2.904 -16.988 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.063 -3.423 -17.227 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.105 -1.946 -14.747 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.110 -1.296 -16.375 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.273 -4.128 -15.217 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.244 -5.415 -15.889 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.725 -4.529 -14.435 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.048 -0.475 -15.097 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.588 -1.487 -16.457 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.582 -2.147 -14.805 1.00 0.00 H new ATOM 520 N ALA A 36 -3.813 -5.367 -15.078 1.00 0.00 N ATOM 521 CA ALA A 36 -3.035 -5.733 -13.892 1.00 0.00 C ATOM 522 C ALA A 36 -1.725 -4.930 -13.741 1.00 0.00 C ATOM 523 O ALA A 36 -1.538 -4.329 -12.680 1.00 0.00 O ATOM 524 CB ALA A 36 -2.799 -7.248 -13.845 1.00 0.00 C ATOM 0 H ALA A 36 -4.019 -6.151 -15.697 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.635 -5.456 -13.025 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.219 -7.499 -12.957 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.758 -7.765 -13.810 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.252 -7.559 -14.735 1.00 0.00 H new ATOM 530 N PRO A 37 -0.837 -4.821 -14.753 1.00 0.00 N ATOM 531 CA PRO A 37 0.360 -3.997 -14.622 1.00 0.00 C ATOM 532 C PRO A 37 0.016 -2.513 -14.454 1.00 0.00 C ATOM 533 O PRO A 37 0.743 -1.801 -13.766 1.00 0.00 O ATOM 534 CB PRO A 37 1.205 -4.262 -15.872 1.00 0.00 C ATOM 535 CG PRO A 37 0.194 -4.772 -16.895 1.00 0.00 C ATOM 536 CD PRO A 37 -0.816 -5.522 -16.030 1.00 0.00 C ATOM 0 HA PRO A 37 0.917 -4.258 -13.722 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.702 -3.356 -16.218 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.985 -4.999 -15.679 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.273 -3.954 -17.444 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.660 -5.426 -17.632 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.803 -5.523 -16.492 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.523 -6.564 -15.900 1.00 0.00 H new ATOM 544 N VAL A 38 -1.098 -2.039 -15.023 1.00 0.00 N ATOM 545 CA VAL A 38 -1.549 -0.665 -14.847 1.00 0.00 C ATOM 546 C VAL A 38 -1.912 -0.428 -13.375 1.00 0.00 C ATOM 547 O VAL A 38 -1.548 0.600 -12.804 1.00 0.00 O ATOM 548 CB VAL A 38 -2.732 -0.359 -15.790 1.00 0.00 C ATOM 549 CG1 VAL A 38 -2.989 1.145 -15.850 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.486 -0.837 -17.230 1.00 0.00 C ATOM 0 H VAL A 38 -1.708 -2.601 -15.617 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.744 0.021 -15.111 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.587 -0.895 -15.378 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.826 1.345 -16.519 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.226 1.514 -14.852 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.098 1.652 -16.222 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.351 -0.595 -17.847 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.603 -0.340 -17.632 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.329 -1.916 -17.233 1.00 0.00 H new ATOM 560 N LEU A 39 -2.591 -1.385 -12.735 1.00 0.00 N ATOM 561 CA LEU A 39 -2.911 -1.314 -11.319 1.00 0.00 C ATOM 562 C LEU A 39 -1.644 -1.401 -10.474 1.00 0.00 C ATOM 563 O LEU A 39 -1.592 -0.754 -9.436 1.00 0.00 O ATOM 564 CB LEU A 39 -3.911 -2.414 -10.926 1.00 0.00 C ATOM 565 CG LEU A 39 -5.321 -2.192 -11.511 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.139 -3.480 -11.390 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.071 -1.054 -10.811 1.00 0.00 C ATOM 0 H LEU A 39 -2.932 -2.231 -13.192 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.381 -0.350 -11.126 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.532 -3.378 -11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.979 -2.462 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.195 -1.914 -12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.134 -3.319 -11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.642 -4.280 -11.939 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.224 -3.760 -10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.058 -0.938 -11.260 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.179 -1.287 -9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.510 -0.126 -10.923 1.00 0.00 H new ATOM 579 N GLU A 40 -0.608 -2.137 -10.889 1.00 0.00 N ATOM 580 CA GLU A 40 0.674 -2.128 -10.181 1.00 0.00 C ATOM 581 C GLU A 40 1.384 -0.770 -10.318 1.00 0.00 C ATOM 582 O GLU A 40 1.985 -0.274 -9.359 1.00 0.00 O ATOM 583 CB GLU A 40 1.579 -3.275 -10.656 1.00 0.00 C ATOM 584 CG GLU A 40 1.065 -4.642 -10.184 1.00 0.00 C ATOM 585 CD GLU A 40 2.014 -5.779 -10.606 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.986 -6.068 -9.871 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.791 -6.410 -11.664 1.00 0.00 O ATOM 0 H GLU A 40 -0.633 -2.744 -11.708 1.00 0.00 H new ATOM 0 HA GLU A 40 0.464 -2.284 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.637 -3.265 -11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.591 -3.118 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.961 -4.638 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.073 -4.822 -10.599 1.00 0.00 H new ATOM 594 N GLU A 41 1.302 -0.133 -11.487 1.00 0.00 N ATOM 595 CA GLU A 41 1.799 1.223 -11.694 1.00 0.00 C ATOM 596 C GLU A 41 1.017 2.227 -10.850 1.00 0.00 C ATOM 597 O GLU A 41 1.580 3.221 -10.396 1.00 0.00 O ATOM 598 CB GLU A 41 1.751 1.615 -13.176 1.00 0.00 C ATOM 599 CG GLU A 41 2.857 0.936 -13.994 1.00 0.00 C ATOM 600 CD GLU A 41 2.839 1.401 -15.461 1.00 0.00 C ATOM 601 OE1 GLU A 41 2.095 0.824 -16.286 1.00 0.00 O ATOM 602 OE2 GLU A 41 3.593 2.338 -15.810 1.00 0.00 O ATOM 0 H GLU A 41 0.886 -0.548 -12.320 1.00 0.00 H new ATOM 0 HA GLU A 41 2.841 1.242 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.779 1.346 -13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.847 2.697 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.828 1.160 -13.552 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.730 -0.146 -13.952 1.00 0.00 H new ATOM 609 N LEU A 42 -0.266 1.971 -10.600 1.00 0.00 N ATOM 610 CA LEU A 42 -1.055 2.804 -9.717 1.00 0.00 C ATOM 611 C LEU A 42 -0.723 2.512 -8.251 1.00 0.00 C ATOM 612 O LEU A 42 -0.634 3.440 -7.453 1.00 0.00 O ATOM 613 CB LEU A 42 -2.545 2.583 -10.006 1.00 0.00 C ATOM 614 CG LEU A 42 -3.446 3.637 -9.341 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.316 5.013 -10.008 1.00 0.00 C ATOM 616 CD2 LEU A 42 -4.897 3.157 -9.413 1.00 0.00 C ATOM 0 H LEU A 42 -0.777 1.186 -11.003 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.814 3.851 -9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.708 2.601 -11.084 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.835 1.592 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.131 3.753 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.971 5.725 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.284 5.356 -9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.601 4.937 -11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.548 3.895 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.186 3.028 -10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.992 2.206 -8.890 1.00 0.00 H new ATOM 628 N ASP A 43 -0.499 1.249 -7.876 1.00 0.00 N ATOM 629 CA ASP A 43 -0.204 0.836 -6.507 1.00 0.00 C ATOM 630 C ASP A 43 1.125 1.420 -6.044 1.00 0.00 C ATOM 631 O ASP A 43 1.271 1.803 -4.884 1.00 0.00 O ATOM 632 CB ASP A 43 -0.138 -0.695 -6.397 1.00 0.00 C ATOM 633 CG ASP A 43 0.428 -1.115 -5.036 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.303 -1.069 -4.025 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.639 -1.419 -4.952 1.00 0.00 O ATOM 0 H ASP A 43 -0.519 0.470 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.008 1.209 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.134 -1.118 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.486 -1.096 -7.196 1.00 0.00 H new ATOM 640 N GLN A 44 2.102 1.510 -6.942 1.00 0.00 N ATOM 641 CA GLN A 44 3.418 1.999 -6.566 1.00 0.00 C ATOM 642 C GLN A 44 3.439 3.525 -6.404 1.00 0.00 C ATOM 643 O GLN A 44 4.290 4.062 -5.692 1.00 0.00 O ATOM 644 CB GLN A 44 4.434 1.434 -7.555 1.00 0.00 C ATOM 645 CG GLN A 44 4.498 2.104 -8.929 1.00 0.00 C ATOM 646 CD GLN A 44 5.312 1.256 -9.907 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.405 1.629 -10.327 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.802 0.090 -10.279 1.00 0.00 N ATOM 0 H GLN A 44 2.006 1.253 -7.924 1.00 0.00 H new ATOM 0 HA GLN A 44 3.698 1.643 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.423 1.495 -7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.215 0.376 -7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.489 2.247 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.947 3.093 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.894 -0.206 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.318 -0.511 -10.922 1.00 0.00 H new ATOM 657 N GLU A 45 2.484 4.216 -7.031 1.00 0.00 N ATOM 658 CA GLU A 45 2.327 5.669 -6.954 1.00 0.00 C ATOM 659 C GLU A 45 1.334 6.113 -5.868 1.00 0.00 C ATOM 660 O GLU A 45 1.528 7.162 -5.245 1.00 0.00 O ATOM 661 CB GLU A 45 1.855 6.202 -8.315 1.00 0.00 C ATOM 662 CG GLU A 45 2.972 6.138 -9.369 1.00 0.00 C ATOM 663 CD GLU A 45 2.622 6.839 -10.695 1.00 0.00 C ATOM 664 OE1 GLU A 45 1.527 7.429 -10.836 1.00 0.00 O ATOM 665 OE2 GLU A 45 3.472 6.829 -11.616 1.00 0.00 O ATOM 0 H GLU A 45 1.782 3.769 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 45 3.301 6.080 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.999 5.620 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.517 7.232 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.873 6.592 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.206 5.093 -9.573 1.00 0.00 H new ATOM 672 N MET A 46 0.270 5.343 -5.626 1.00 0.00 N ATOM 673 CA MET A 46 -0.859 5.750 -4.787 1.00 0.00 C ATOM 674 C MET A 46 -1.335 4.649 -3.840 1.00 0.00 C ATOM 675 O MET A 46 -2.201 4.931 -3.015 1.00 0.00 O ATOM 676 CB MET A 46 -2.045 6.203 -5.663 1.00 0.00 C ATOM 677 CG MET A 46 -1.812 7.504 -6.433 1.00 0.00 C ATOM 678 SD MET A 46 -3.319 8.111 -7.241 1.00 0.00 S ATOM 679 CE MET A 46 -2.911 9.871 -7.410 1.00 0.00 C ATOM 0 H MET A 46 0.168 4.405 -6.014 1.00 0.00 H new ATOM 0 HA MET A 46 -0.496 6.576 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.275 5.411 -6.376 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.922 6.325 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.438 8.266 -5.749 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.039 7.344 -7.185 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.739 10.392 -7.892 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.737 10.300 -6.423 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.012 9.979 -8.017 1.00 0.00 H new ATOM 689 N GLY A 47 -0.791 3.431 -3.899 1.00 0.00 N ATOM 690 CA GLY A 47 -1.236 2.254 -3.147 1.00 0.00 C ATOM 691 C GLY A 47 -0.809 2.283 -1.679 1.00 0.00 C ATOM 692 O GLY A 47 -0.197 1.340 -1.179 1.00 0.00 O ATOM 0 H GLY A 47 0.008 3.229 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.322 2.185 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.835 1.356 -3.618 1.00 0.00 H new ATOM 696 N ASP A 48 -1.079 3.406 -1.030 1.00 0.00 N ATOM 697 CA ASP A 48 -0.961 3.711 0.388 1.00 0.00 C ATOM 698 C ASP A 48 -1.949 4.845 0.684 1.00 0.00 C ATOM 699 O ASP A 48 -2.676 4.807 1.676 1.00 0.00 O ATOM 700 CB ASP A 48 0.459 4.179 0.710 1.00 0.00 C ATOM 701 CG ASP A 48 0.554 4.661 2.166 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.560 3.817 3.089 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.638 5.888 2.395 1.00 0.00 O ATOM 0 H ASP A 48 -1.425 4.217 -1.543 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.175 2.828 0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.163 3.363 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.743 4.986 0.035 1.00 0.00 H new ATOM 708 N LYS A 49 -2.031 5.819 -0.237 1.00 0.00 N ATOM 709 CA LYS A 49 -3.053 6.861 -0.274 1.00 0.00 C ATOM 710 C LYS A 49 -4.438 6.225 -0.445 1.00 0.00 C ATOM 711 O LYS A 49 -5.404 6.683 0.166 1.00 0.00 O ATOM 712 CB LYS A 49 -2.777 7.842 -1.432 1.00 0.00 C ATOM 713 CG LYS A 49 -1.359 8.448 -1.434 1.00 0.00 C ATOM 714 CD LYS A 49 -1.154 9.364 -2.652 1.00 0.00 C ATOM 715 CE LYS A 49 0.259 9.971 -2.736 1.00 0.00 C ATOM 716 NZ LYS A 49 1.334 8.977 -3.002 1.00 0.00 N ATOM 0 H LYS A 49 -1.360 5.899 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.026 7.414 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.938 7.323 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.504 8.652 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.201 9.015 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.618 7.649 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.351 8.795 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.886 10.171 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.273 10.724 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.478 10.485 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.251 9.465 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.361 8.280 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.142 8.491 -3.901 1.00 0.00 H new ATOM 730 N LEU A 50 -4.518 5.152 -1.237 1.00 0.00 N ATOM 731 CA LEU A 50 -5.668 4.281 -1.399 1.00 0.00 C ATOM 732 C LEU A 50 -5.218 2.820 -1.338 1.00 0.00 C ATOM 733 O LEU A 50 -4.030 2.527 -1.473 1.00 0.00 O ATOM 734 CB LEU A 50 -6.437 4.624 -2.692 1.00 0.00 C ATOM 735 CG LEU A 50 -6.203 3.749 -3.946 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.336 4.003 -4.935 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.860 4.009 -4.620 1.00 0.00 C ATOM 0 H LEU A 50 -3.730 4.857 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.369 4.439 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.502 4.594 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.197 5.654 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.188 2.708 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.185 3.393 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.288 3.742 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.346 5.057 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.760 3.363 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.806 5.052 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.054 3.798 -3.918 1.00 0.00 H new ATOM 749 N LYS A 51 -6.170 1.904 -1.172 1.00 0.00 N ATOM 750 CA LYS A 51 -5.955 0.459 -1.272 1.00 0.00 C ATOM 751 C LYS A 51 -6.460 -0.005 -2.644 1.00 0.00 C ATOM 752 O LYS A 51 -7.407 0.583 -3.163 1.00 0.00 O ATOM 753 CB LYS A 51 -6.733 -0.183 -0.112 1.00 0.00 C ATOM 754 CG LYS A 51 -6.491 -1.686 0.088 1.00 0.00 C ATOM 755 CD LYS A 51 -7.462 -2.280 1.121 1.00 0.00 C ATOM 756 CE LYS A 51 -7.311 -1.672 2.525 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.214 -2.340 3.484 1.00 0.00 N ATOM 0 H LYS A 51 -7.137 2.151 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.906 0.174 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.472 0.336 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.798 -0.022 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.609 -2.204 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.464 -1.850 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.485 -2.128 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.302 -3.357 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.279 -1.771 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.534 -0.606 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.036 -1.974 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.202 -2.152 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.040 -3.365 3.468 1.00 0.00 H new ATOM 771 N ILE A 52 -5.906 -1.074 -3.216 1.00 0.00 N ATOM 772 CA ILE A 52 -6.455 -1.715 -4.416 1.00 0.00 C ATOM 773 C ILE A 52 -6.856 -3.121 -3.969 1.00 0.00 C ATOM 774 O ILE A 52 -6.071 -3.760 -3.268 1.00 0.00 O ATOM 775 CB ILE A 52 -5.434 -1.710 -5.588 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.923 -0.274 -5.885 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.045 -2.366 -6.846 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.048 -0.131 -7.140 1.00 0.00 C ATOM 0 H ILE A 52 -5.062 -1.523 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.316 -1.178 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.570 -2.303 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.785 0.386 -5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.353 0.076 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.314 -2.352 -7.655 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.319 -3.397 -6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.933 -1.812 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.745 0.910 -7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.162 -0.758 -7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.616 -0.443 -8.017 1.00 0.00 H new ATOM 790 N VAL A 53 -8.044 -3.606 -4.345 1.00 0.00 N ATOM 791 CA VAL A 53 -8.554 -4.911 -3.906 1.00 0.00 C ATOM 792 C VAL A 53 -9.083 -5.669 -5.126 1.00 0.00 C ATOM 793 O VAL A 53 -10.039 -5.240 -5.772 1.00 0.00 O ATOM 794 CB VAL A 53 -9.662 -4.750 -2.835 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.239 -6.097 -2.371 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.184 -4.020 -1.572 1.00 0.00 C ATOM 0 H VAL A 53 -8.681 -3.104 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.743 -5.476 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.424 -4.159 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.011 -5.923 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.673 -6.620 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.443 -6.704 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.008 -3.941 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.366 -4.578 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.837 -3.021 -1.838 1.00 0.00 H new ATOM 806 N LYS A 54 -8.483 -6.814 -5.442 1.00 0.00 N ATOM 807 CA LYS A 54 -9.017 -7.739 -6.436 1.00 0.00 C ATOM 808 C LYS A 54 -10.199 -8.498 -5.847 1.00 0.00 C ATOM 809 O LYS A 54 -10.146 -8.883 -4.675 1.00 0.00 O ATOM 810 CB LYS A 54 -7.925 -8.747 -6.817 1.00 0.00 C ATOM 811 CG LYS A 54 -6.744 -8.133 -7.572 1.00 0.00 C ATOM 812 CD LYS A 54 -7.212 -7.549 -8.909 1.00 0.00 C ATOM 813 CE LYS A 54 -6.002 -7.224 -9.781 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.375 -7.148 -11.214 1.00 0.00 N ATOM 0 H LYS A 54 -7.611 -7.126 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.340 -7.180 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.554 -9.225 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.368 -9.531 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.284 -7.351 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.981 -8.892 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.860 -8.261 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.801 -6.648 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.568 -6.275 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.236 -7.987 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.532 -6.926 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.767 -8.062 -11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.088 -6.403 -11.348 1.00 0.00 H new ATOM 828 N ILE A 55 -11.204 -8.797 -6.673 1.00 0.00 N ATOM 829 CA ILE A 55 -12.291 -9.698 -6.304 1.00 0.00 C ATOM 830 C ILE A 55 -12.785 -10.445 -7.558 1.00 0.00 C ATOM 831 O ILE A 55 -13.175 -9.832 -8.554 1.00 0.00 O ATOM 832 CB ILE A 55 -13.360 -8.907 -5.508 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.489 -9.851 -5.062 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.901 -7.666 -6.242 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.342 -9.284 -3.924 1.00 0.00 C ATOM 0 H ILE A 55 -11.284 -8.419 -7.617 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.965 -10.487 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.861 -8.506 -4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.132 -10.065 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -14.055 -10.799 -4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.644 -7.169 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -13.081 -6.978 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.362 -7.971 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.119 -10.001 -3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.711 -9.096 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.804 -8.351 -4.246 1.00 0.00 H new ATOM 847 N ASP A 56 -12.682 -11.779 -7.549 1.00 0.00 N ATOM 848 CA ASP A 56 -12.997 -12.635 -8.702 1.00 0.00 C ATOM 849 C ASP A 56 -14.502 -12.892 -8.764 1.00 0.00 C ATOM 850 O ASP A 56 -15.051 -13.531 -7.860 1.00 0.00 O ATOM 851 CB ASP A 56 -12.234 -13.964 -8.594 1.00 0.00 C ATOM 852 CG ASP A 56 -12.566 -14.983 -9.707 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.334 -14.678 -10.647 1.00 0.00 O ATOM 854 OD2 ASP A 56 -12.025 -16.109 -9.633 1.00 0.00 O ATOM 0 H ASP A 56 -12.373 -12.303 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.689 -12.128 -9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.164 -13.757 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.452 -14.417 -7.627 1.00 0.00 H new ATOM 859 N VAL A 57 -15.181 -12.394 -9.797 1.00 0.00 N ATOM 860 CA VAL A 57 -16.638 -12.464 -9.911 1.00 0.00 C ATOM 861 C VAL A 57 -17.172 -13.899 -9.994 1.00 0.00 C ATOM 862 O VAL A 57 -18.342 -14.119 -9.675 1.00 0.00 O ATOM 863 CB VAL A 57 -17.145 -11.618 -11.101 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.709 -10.155 -10.952 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.697 -12.148 -12.474 1.00 0.00 C ATOM 0 H VAL A 57 -14.732 -11.927 -10.585 1.00 0.00 H new ATOM 0 HA VAL A 57 -17.034 -12.042 -8.987 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.232 -11.693 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.077 -9.578 -11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.119 -9.745 -10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.621 -10.101 -10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -17.091 -11.503 -13.259 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.608 -12.156 -12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -17.074 -13.161 -12.614 1.00 0.00 H new ATOM 875 N ASP A 58 -16.355 -14.873 -10.417 1.00 0.00 N ATOM 876 CA ASP A 58 -16.823 -16.245 -10.624 1.00 0.00 C ATOM 877 C ASP A 58 -17.237 -16.896 -9.302 1.00 0.00 C ATOM 878 O ASP A 58 -18.165 -17.705 -9.272 1.00 0.00 O ATOM 879 CB ASP A 58 -15.748 -17.093 -11.307 1.00 0.00 C ATOM 880 CG ASP A 58 -16.242 -18.536 -11.518 1.00 0.00 C ATOM 881 OD1 ASP A 58 -17.182 -18.747 -12.317 1.00 0.00 O ATOM 882 OD2 ASP A 58 -15.673 -19.469 -10.907 1.00 0.00 O ATOM 0 H ASP A 58 -15.366 -14.733 -10.622 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.697 -16.196 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.485 -16.650 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.843 -17.099 -10.700 1.00 0.00 H new ATOM 887 N GLU A 59 -16.595 -16.499 -8.200 1.00 0.00 N ATOM 888 CA GLU A 59 -16.970 -16.928 -6.857 1.00 0.00 C ATOM 889 C GLU A 59 -17.798 -15.838 -6.180 1.00 0.00 C ATOM 890 O GLU A 59 -18.801 -16.128 -5.527 1.00 0.00 O ATOM 891 CB GLU A 59 -15.716 -17.246 -6.026 1.00 0.00 C ATOM 892 CG GLU A 59 -14.954 -18.465 -6.565 1.00 0.00 C ATOM 893 CD GLU A 59 -13.805 -18.875 -5.626 1.00 0.00 C ATOM 894 OE1 GLU A 59 -12.686 -18.325 -5.740 1.00 0.00 O ATOM 895 OE2 GLU A 59 -14.002 -19.771 -4.773 1.00 0.00 O ATOM 0 H GLU A 59 -15.795 -15.866 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.570 -17.835 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.055 -16.379 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.005 -17.429 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.643 -19.301 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.554 -18.237 -7.553 1.00 0.00 H new ATOM 902 N ASN A 60 -17.433 -14.570 -6.384 1.00 0.00 N ATOM 903 CA ASN A 60 -17.974 -13.427 -5.645 1.00 0.00 C ATOM 904 C ASN A 60 -19.213 -12.865 -6.328 1.00 0.00 C ATOM 905 O ASN A 60 -19.371 -11.657 -6.512 1.00 0.00 O ATOM 906 CB ASN A 60 -16.877 -12.392 -5.408 1.00 0.00 C ATOM 907 CG ASN A 60 -15.809 -13.018 -4.530 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.037 -13.245 -3.351 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.667 -13.383 -5.086 1.00 0.00 N ATOM 0 H ASN A 60 -16.739 -14.304 -7.082 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.312 -13.756 -4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.447 -12.071 -6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.290 -11.505 -4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.959 -13.862 -4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.494 -13.185 -6.072 1.00 0.00 H new ATOM 916 N GLN A 61 -20.094 -13.788 -6.703 1.00 0.00 N ATOM 917 CA GLN A 61 -21.365 -13.554 -7.366 1.00 0.00 C ATOM 918 C GLN A 61 -22.200 -12.594 -6.510 1.00 0.00 C ATOM 919 O GLN A 61 -22.788 -11.642 -7.020 1.00 0.00 O ATOM 920 CB GLN A 61 -22.081 -14.912 -7.517 1.00 0.00 C ATOM 921 CG GLN A 61 -21.268 -16.013 -8.236 1.00 0.00 C ATOM 922 CD GLN A 61 -21.555 -17.395 -7.639 1.00 0.00 C ATOM 923 OE1 GLN A 61 -22.357 -18.162 -8.168 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.938 -17.740 -6.514 1.00 0.00 N ATOM 0 H GLN A 61 -19.925 -14.781 -6.540 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.222 -13.108 -8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.352 -15.273 -6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -23.011 -14.755 -8.064 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.514 -16.015 -9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.203 -15.793 -8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.274 -17.099 -6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -21.129 -18.645 -6.085 1.00 0.00 H new ATOM 933 N GLU A 62 -22.195 -12.828 -5.194 1.00 0.00 N ATOM 934 CA GLU A 62 -22.953 -12.074 -4.207 1.00 0.00 C ATOM 935 C GLU A 62 -22.451 -10.636 -4.064 1.00 0.00 C ATOM 936 O GLU A 62 -23.229 -9.756 -3.690 1.00 0.00 O ATOM 937 CB GLU A 62 -22.840 -12.790 -2.853 1.00 0.00 C ATOM 938 CG GLU A 62 -23.508 -14.175 -2.818 1.00 0.00 C ATOM 939 CD GLU A 62 -25.030 -14.105 -3.043 1.00 0.00 C ATOM 940 OE1 GLU A 62 -25.776 -13.765 -2.096 1.00 0.00 O ATOM 941 OE2 GLU A 62 -25.501 -14.412 -4.161 1.00 0.00 O ATOM 0 H GLU A 62 -21.641 -13.576 -4.778 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.990 -12.024 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.786 -12.900 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.289 -12.162 -2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.060 -14.810 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.308 -14.646 -1.856 1.00 0.00 H new ATOM 948 N THR A 63 -21.172 -10.375 -4.343 1.00 0.00 N ATOM 949 CA THR A 63 -20.608 -9.039 -4.246 1.00 0.00 C ATOM 950 C THR A 63 -20.792 -8.308 -5.567 1.00 0.00 C ATOM 951 O THR A 63 -21.256 -7.178 -5.563 1.00 0.00 O ATOM 952 CB THR A 63 -19.129 -9.064 -3.840 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.822 -10.249 -3.153 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.741 -7.886 -2.946 1.00 0.00 C ATOM 0 H THR A 63 -20.505 -11.086 -4.641 1.00 0.00 H new ATOM 0 HA THR A 63 -21.142 -8.506 -3.460 1.00 0.00 H new ATOM 0 HB THR A 63 -18.564 -8.998 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.591 -10.520 -2.609 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.684 -7.956 -2.690 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.925 -6.951 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.337 -7.910 -2.034 1.00 0.00 H new ATOM 962 N ALA A 64 -20.501 -8.936 -6.707 1.00 0.00 N ATOM 963 CA ALA A 64 -20.680 -8.273 -7.992 1.00 0.00 C ATOM 964 C ALA A 64 -22.167 -7.943 -8.200 1.00 0.00 C ATOM 965 O ALA A 64 -22.525 -6.798 -8.490 1.00 0.00 O ATOM 966 CB ALA A 64 -20.114 -9.177 -9.092 1.00 0.00 C ATOM 0 H ALA A 64 -20.145 -9.890 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.139 -7.327 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.241 -8.694 -10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.054 -9.352 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.644 -10.129 -9.089 1.00 0.00 H new ATOM 972 N GLY A 65 -23.048 -8.911 -7.924 1.00 0.00 N ATOM 973 CA GLY A 65 -24.493 -8.737 -7.970 1.00 0.00 C ATOM 974 C GLY A 65 -24.995 -7.671 -6.993 1.00 0.00 C ATOM 975 O GLY A 65 -26.027 -7.053 -7.253 1.00 0.00 O ATOM 0 H GLY A 65 -22.765 -9.854 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.789 -8.463 -8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.976 -9.687 -7.743 1.00 0.00 H new ATOM 979 N LYS A 66 -24.248 -7.385 -5.916 1.00 0.00 N ATOM 980 CA LYS A 66 -24.566 -6.332 -4.947 1.00 0.00 C ATOM 981 C LYS A 66 -24.671 -4.953 -5.609 1.00 0.00 C ATOM 982 O LYS A 66 -25.364 -4.086 -5.074 1.00 0.00 O ATOM 983 CB LYS A 66 -23.504 -6.318 -3.829 1.00 0.00 C ATOM 984 CG LYS A 66 -24.103 -6.105 -2.435 1.00 0.00 C ATOM 985 CD LYS A 66 -23.022 -5.989 -1.346 1.00 0.00 C ATOM 986 CE LYS A 66 -21.996 -7.136 -1.265 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.590 -8.495 -1.141 1.00 0.00 N ATOM 0 H LYS A 66 -23.391 -7.890 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.543 -6.554 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.958 -7.261 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.781 -5.528 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.711 -5.200 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.768 -6.935 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.479 -5.057 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.520 -5.909 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.369 -7.108 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.342 -6.961 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.843 -9.180 -0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.307 -8.493 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.035 -8.763 -2.042 1.00 0.00 H new ATOM 1001 N TYR A 67 -24.032 -4.758 -6.769 1.00 0.00 N ATOM 1002 CA TYR A 67 -24.040 -3.505 -7.525 1.00 0.00 C ATOM 1003 C TYR A 67 -24.521 -3.749 -8.968 1.00 0.00 C ATOM 1004 O TYR A 67 -24.355 -2.887 -9.832 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.643 -2.853 -7.481 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.849 -3.105 -6.211 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -22.083 -2.361 -5.037 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.912 -4.153 -6.197 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.390 -2.674 -3.852 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -20.230 -4.481 -5.019 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.473 -3.751 -3.834 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.856 -4.119 -2.676 1.00 0.00 O ATOM 0 H TYR A 67 -23.481 -5.489 -7.218 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.743 -2.810 -7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.064 -3.216 -8.330 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.758 -1.777 -7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.795 -1.549 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.717 -4.709 -7.102 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.558 -2.092 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.518 -5.293 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 67 -19.051 -4.637 -2.885 1.00 0.00 H new ATOM 1022 N GLY A 68 -25.097 -4.928 -9.244 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.570 -5.329 -10.566 1.00 0.00 C ATOM 1024 C GLY A 68 -24.443 -5.568 -11.577 1.00 0.00 C ATOM 1025 O GLY A 68 -24.691 -5.534 -12.784 1.00 0.00 O ATOM 0 H GLY A 68 -25.248 -5.643 -8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -26.160 -6.241 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -26.236 -4.558 -10.953 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.213 -5.789 -11.112 1.00 0.00 N ATOM 1030 CA VAL A 69 -22.066 -6.107 -11.953 1.00 0.00 C ATOM 1031 C VAL A 69 -22.086 -7.615 -12.215 1.00 0.00 C ATOM 1032 O VAL A 69 -22.296 -8.408 -11.297 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.767 -5.649 -11.244 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.493 -6.031 -12.017 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.761 -4.124 -11.048 1.00 0.00 C ATOM 0 H VAL A 69 -22.985 -5.750 -10.119 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.109 -5.585 -12.909 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.760 -6.165 -10.284 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.617 -5.683 -11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.445 -7.114 -12.127 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.513 -5.567 -13.003 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.840 -3.825 -10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.823 -3.632 -12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.616 -3.832 -10.438 1.00 0.00 H new ATOM 1045 N MET A 70 -21.851 -8.008 -13.468 1.00 0.00 N ATOM 1046 CA MET A 70 -21.581 -9.391 -13.869 1.00 0.00 C ATOM 1047 C MET A 70 -20.753 -9.394 -15.169 1.00 0.00 C ATOM 1048 O MET A 70 -20.812 -10.329 -15.972 1.00 0.00 O ATOM 1049 CB MET A 70 -22.887 -10.222 -13.933 1.00 0.00 C ATOM 1050 CG MET A 70 -22.878 -11.326 -12.864 1.00 0.00 C ATOM 1051 SD MET A 70 -21.516 -12.526 -13.000 1.00 0.00 S ATOM 1052 CE MET A 70 -21.593 -13.284 -11.353 1.00 0.00 C ATOM 0 H MET A 70 -21.843 -7.357 -14.253 1.00 0.00 H new ATOM 0 HA MET A 70 -20.975 -9.892 -13.114 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.747 -9.570 -13.783 1.00 0.00 H new ATOM 0 HB3 MET A 70 -22.993 -10.667 -14.922 1.00 0.00 H new ATOM 0 HG2 MET A 70 -22.831 -10.857 -11.881 1.00 0.00 H new ATOM 0 HG3 MET A 70 -23.823 -11.866 -12.915 1.00 0.00 H new ATOM 0 HE1 MET A 70 -21.123 -14.267 -11.383 1.00 0.00 H new ATOM 0 HE2 MET A 70 -21.068 -12.652 -10.637 1.00 0.00 H new ATOM 0 HE3 MET A 70 -22.634 -13.389 -11.049 1.00 0.00 H new ATOM 1062 N SER A 71 -19.966 -8.333 -15.366 1.00 0.00 N ATOM 1063 CA SER A 71 -19.070 -8.113 -16.488 1.00 0.00 C ATOM 1064 C SER A 71 -17.777 -7.533 -15.913 1.00 0.00 C ATOM 1065 O SER A 71 -17.802 -6.913 -14.845 1.00 0.00 O ATOM 1066 CB SER A 71 -19.713 -7.152 -17.501 1.00 0.00 C ATOM 1067 OG SER A 71 -20.989 -7.616 -17.920 1.00 0.00 O ATOM 0 H SER A 71 -19.941 -7.560 -14.700 1.00 0.00 H new ATOM 0 HA SER A 71 -18.864 -9.041 -17.021 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.813 -6.163 -17.053 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.061 -7.045 -18.368 1.00 0.00 H new ATOM 0 HG SER A 71 -21.373 -6.983 -18.562 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.649 -7.753 -16.588 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.317 -7.459 -16.071 1.00 0.00 C ATOM 1075 C ILE A 72 -14.397 -7.004 -17.220 1.00 0.00 C ATOM 1076 O ILE A 72 -14.699 -7.319 -18.376 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.737 -8.698 -15.338 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.412 -9.933 -16.211 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.575 -9.089 -14.109 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.582 -10.785 -16.721 1.00 0.00 C ATOM 0 H ILE A 72 -16.638 -8.149 -17.528 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.384 -6.647 -15.347 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.759 -8.347 -15.010 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.847 -9.590 -17.078 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.752 -10.583 -15.637 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.131 -9.961 -13.628 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.597 -8.258 -13.404 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.592 -9.326 -14.422 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.197 -11.612 -17.317 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.142 -11.179 -15.873 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.239 -10.170 -17.336 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.273 -6.309 -16.947 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.908 -5.720 -15.662 1.00 0.00 C ATOM 1094 C PRO A 73 -13.874 -4.584 -15.333 1.00 0.00 C ATOM 1095 O PRO A 73 -14.224 -3.791 -16.211 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.468 -5.212 -15.811 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.273 -5.036 -17.316 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.261 -6.014 -17.946 1.00 0.00 C ATOM 0 HA PRO A 73 -12.968 -6.440 -14.846 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.323 -4.271 -15.280 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.752 -5.924 -15.399 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.477 -4.011 -17.626 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.248 -5.261 -17.612 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.715 -5.581 -18.837 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.752 -6.926 -18.259 1.00 0.00 H new ATOM 1106 N THR A 74 -14.273 -4.492 -14.069 1.00 0.00 N ATOM 1107 CA THR A 74 -15.149 -3.447 -13.574 1.00 0.00 C ATOM 1108 C THR A 74 -14.503 -2.912 -12.306 1.00 0.00 C ATOM 1109 O THR A 74 -14.278 -3.640 -11.337 1.00 0.00 O ATOM 1110 CB THR A 74 -16.576 -3.981 -13.380 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.122 -4.322 -14.636 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.485 -2.936 -12.727 1.00 0.00 C ATOM 0 H THR A 74 -13.989 -5.157 -13.349 1.00 0.00 H new ATOM 0 HA THR A 74 -15.263 -2.627 -14.283 1.00 0.00 H new ATOM 0 HB THR A 74 -16.519 -4.853 -12.728 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.124 -5.297 -14.738 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.486 -3.350 -12.606 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.084 -2.664 -11.751 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.533 -2.049 -13.359 1.00 0.00 H new ATOM 1120 N LEU A 75 -14.151 -1.633 -12.345 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.535 -0.933 -11.240 1.00 0.00 C ATOM 1122 C LEU A 75 -14.659 -0.284 -10.449 1.00 0.00 C ATOM 1123 O LEU A 75 -15.549 0.328 -11.041 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.577 0.147 -11.764 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.373 -0.384 -12.566 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.535 0.796 -13.064 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.483 -1.326 -11.748 1.00 0.00 C ATOM 0 H LEU A 75 -14.292 -1.046 -13.167 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.960 -1.619 -10.619 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.140 0.835 -12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.205 0.723 -10.917 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.771 -0.959 -13.402 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.683 0.423 -13.632 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.147 1.432 -13.704 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.178 1.374 -12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.652 -1.668 -12.365 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.095 -0.796 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.068 -2.185 -11.419 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.596 -0.367 -9.125 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.467 0.386 -8.233 1.00 0.00 C ATOM 1141 C LEU A 76 -14.530 1.215 -7.374 1.00 0.00 C ATOM 1142 O LEU A 76 -13.575 0.674 -6.817 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.328 -0.525 -7.335 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.764 -0.759 -7.833 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -17.826 -1.613 -9.101 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.593 -1.437 -6.736 1.00 0.00 C ATOM 0 H LEU A 76 -13.931 -0.966 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.171 0.988 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.831 -1.490 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.372 -0.089 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.172 0.222 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.866 -1.742 -9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.275 -1.117 -9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.381 -2.589 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.609 -1.600 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -18.142 -2.395 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -18.619 -0.799 -5.853 1.00 0.00 H new ATOM 1158 N VAL A 77 -14.801 2.510 -7.254 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.123 3.336 -6.274 1.00 0.00 C ATOM 1160 C VAL A 77 -15.059 3.295 -5.079 1.00 0.00 C ATOM 1161 O VAL A 77 -16.244 3.626 -5.211 1.00 0.00 O ATOM 1162 CB VAL A 77 -13.896 4.774 -6.775 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -12.950 5.530 -5.827 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.308 4.827 -8.192 1.00 0.00 C ATOM 0 H VAL A 77 -15.486 3.006 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.120 2.975 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.879 5.245 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.800 6.545 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.388 5.567 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.991 5.015 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.170 5.866 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.346 4.315 -8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.990 4.337 -8.887 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.535 2.883 -3.932 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.225 2.912 -2.655 1.00 0.00 C ATOM 1176 C LEU A 78 -14.432 3.820 -1.724 1.00 0.00 C ATOM 1177 O LEU A 78 -13.239 4.045 -1.938 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.384 1.498 -2.052 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.152 0.496 -2.947 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.191 -0.413 -3.723 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.105 -0.381 -2.126 1.00 0.00 C ATOM 0 H LEU A 78 -13.589 2.508 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.236 3.296 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.394 1.093 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.902 1.581 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.732 1.094 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.764 -1.104 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.548 0.196 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.577 -0.977 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.626 -1.072 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.535 -0.946 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.832 0.251 -1.616 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.074 4.330 -0.678 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.425 5.100 0.370 1.00 0.00 C ATOM 1195 C LYS A 79 -15.130 4.771 1.672 1.00 0.00 C ATOM 1196 O LYS A 79 -16.354 4.890 1.739 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.481 6.601 0.034 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.622 7.434 1.000 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.518 8.893 0.522 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.379 9.635 1.237 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.096 10.942 0.598 1.00 0.00 N ATOM 0 H LYS A 79 -16.077 4.216 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.369 4.845 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.135 6.758 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.514 6.945 0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.058 7.404 1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.625 6.999 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.349 8.914 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.462 9.406 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.645 9.790 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.479 9.020 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.135 11.251 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.169 10.847 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.784 11.647 0.930 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.360 4.365 2.686 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.825 4.092 4.048 1.00 0.00 C ATOM 1217 C ASP A 80 -16.136 3.278 4.099 1.00 0.00 C ATOM 1218 O ASP A 80 -17.021 3.533 4.918 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.880 5.410 4.840 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.151 5.195 6.340 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.516 4.311 6.957 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.955 5.955 6.928 1.00 0.00 O ATOM 0 H ASP A 80 -13.358 4.212 2.576 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.103 3.436 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.936 5.941 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.660 6.047 4.422 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.279 2.301 3.194 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.336 1.299 3.241 1.00 0.00 C ATOM 1229 C GLY A 81 -18.504 1.553 2.291 1.00 0.00 C ATOM 1230 O GLY A 81 -19.473 0.794 2.332 1.00 0.00 O ATOM 0 H GLY A 81 -15.650 2.188 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.904 0.325 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.720 1.244 4.260 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.442 2.573 1.429 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.492 2.868 0.455 1.00 0.00 C ATOM 1236 C GLU A 82 -18.861 3.051 -0.920 1.00 0.00 C ATOM 1237 O GLU A 82 -17.779 3.623 -1.031 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.246 4.150 0.842 1.00 0.00 C ATOM 1239 CG GLU A 82 -21.065 4.035 2.135 1.00 0.00 C ATOM 1240 CD GLU A 82 -22.166 2.953 2.106 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -22.725 2.647 1.029 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -22.523 2.429 3.187 1.00 0.00 O ATOM 0 H GLU A 82 -17.655 3.221 1.389 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.199 2.039 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.527 4.961 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.914 4.425 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -20.387 3.822 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -21.528 5.000 2.343 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.539 2.575 -1.964 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.183 2.862 -3.349 1.00 0.00 C ATOM 1251 C VAL A 83 -19.458 4.343 -3.608 1.00 0.00 C ATOM 1252 O VAL A 83 -20.476 4.892 -3.176 1.00 0.00 O ATOM 1253 CB VAL A 83 -19.898 1.873 -4.301 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -21.433 1.880 -4.199 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -19.476 2.082 -5.761 1.00 0.00 C ATOM 0 H VAL A 83 -20.358 1.974 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.123 2.703 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.570 0.891 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -21.848 1.157 -4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -21.732 1.613 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -21.809 2.875 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.000 1.369 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.727 3.097 -6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.401 1.930 -5.854 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.532 4.976 -4.323 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.585 6.377 -4.704 1.00 0.00 C ATOM 1267 C VAL A 84 -18.405 6.528 -6.219 1.00 0.00 C ATOM 1268 O VAL A 84 -18.871 7.530 -6.760 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.578 7.217 -3.881 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.869 7.135 -2.371 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -16.110 6.832 -4.120 1.00 0.00 C ATOM 0 H VAL A 84 -17.694 4.506 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.572 6.774 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.718 8.238 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.141 7.737 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.872 7.512 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.799 6.098 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.464 7.463 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.959 5.787 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.864 6.972 -5.173 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.829 5.540 -6.923 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.806 5.545 -8.393 1.00 0.00 C ATOM 1283 C GLU A 85 -17.728 4.122 -8.954 1.00 0.00 C ATOM 1284 O GLU A 85 -17.457 3.167 -8.223 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.642 6.410 -8.942 1.00 0.00 C ATOM 1286 CG GLU A 85 -17.067 7.776 -9.509 1.00 0.00 C ATOM 1287 CD GLU A 85 -18.113 7.732 -10.643 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.432 6.644 -11.169 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -18.626 8.811 -11.022 1.00 0.00 O ATOM 0 H GLU A 85 -17.375 4.731 -6.499 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.743 5.992 -8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.920 6.573 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.130 5.851 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.467 8.379 -8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.179 8.288 -9.878 1.00 0.00 H new ATOM 1296 N THR A 86 -17.969 3.968 -10.255 1.00 0.00 N ATOM 1297 CA THR A 86 -17.903 2.708 -10.987 1.00 0.00 C ATOM 1298 C THR A 86 -17.466 2.999 -12.433 1.00 0.00 C ATOM 1299 O THR A 86 -17.915 3.979 -13.034 1.00 0.00 O ATOM 1300 CB THR A 86 -19.289 2.038 -10.925 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.644 1.783 -9.578 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.377 0.719 -11.702 1.00 0.00 C ATOM 0 H THR A 86 -18.227 4.754 -10.852 1.00 0.00 H new ATOM 0 HA THR A 86 -17.174 2.026 -10.548 1.00 0.00 H new ATOM 0 HB THR A 86 -19.976 2.742 -11.395 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.527 1.359 -9.547 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.383 0.309 -11.610 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.154 0.900 -12.753 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.657 0.009 -11.295 1.00 0.00 H new ATOM 1310 N SER A 87 -16.622 2.133 -13.001 1.00 0.00 N ATOM 1311 CA SER A 87 -16.086 2.233 -14.359 1.00 0.00 C ATOM 1312 C SER A 87 -15.877 0.817 -14.908 1.00 0.00 C ATOM 1313 O SER A 87 -15.722 -0.125 -14.131 1.00 0.00 O ATOM 1314 CB SER A 87 -14.753 3.001 -14.334 1.00 0.00 C ATOM 1315 OG SER A 87 -14.851 4.248 -13.663 1.00 0.00 O ATOM 0 H SER A 87 -16.280 1.309 -12.506 1.00 0.00 H new ATOM 0 HA SER A 87 -16.783 2.773 -15.001 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.995 2.389 -13.845 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.416 3.169 -15.357 1.00 0.00 H new ATOM 0 HG SER A 87 -13.979 4.695 -13.674 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.856 0.640 -16.231 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.776 -0.677 -16.868 1.00 0.00 C ATOM 1323 C VAL A 88 -14.704 -0.618 -17.962 1.00 0.00 C ATOM 1324 O VAL A 88 -14.485 0.435 -18.571 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.170 -1.086 -17.411 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.181 -2.511 -17.989 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.263 -1.026 -16.326 1.00 0.00 C ATOM 0 H VAL A 88 -15.894 1.413 -16.896 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.486 -1.445 -16.151 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.382 -0.362 -18.198 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.180 -2.747 -18.355 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.468 -2.576 -18.811 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.902 -3.221 -17.211 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.220 -1.321 -16.757 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -18.006 -1.705 -15.513 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.337 -0.009 -15.940 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.042 -1.746 -18.216 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.050 -1.898 -19.269 1.00 0.00 C ATOM 1339 C GLY A 89 -11.689 -1.329 -18.870 1.00 0.00 C ATOM 1340 O GLY A 89 -11.530 -0.716 -17.810 1.00 0.00 O ATOM 0 H GLY A 89 -14.188 -2.600 -17.678 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.942 -2.955 -19.514 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.401 -1.396 -20.171 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.699 -1.546 -19.739 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.338 -1.043 -19.574 1.00 0.00 C ATOM 1346 C PHE A 90 -9.334 0.489 -19.480 1.00 0.00 C ATOM 1347 O PHE A 90 -10.195 1.157 -20.064 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.486 -1.538 -20.755 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.021 -1.144 -20.694 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.089 -1.981 -20.050 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.589 0.061 -21.283 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -4.734 -1.611 -19.999 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.235 0.437 -21.214 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.307 -0.402 -20.574 1.00 0.00 C ATOM 0 H PHE A 90 -10.826 -2.088 -20.594 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.912 -1.420 -18.644 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.553 -2.625 -20.803 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.913 -1.151 -21.680 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.415 -2.905 -19.596 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.299 0.698 -21.789 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.018 -2.259 -19.516 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.909 1.369 -21.652 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.266 -0.118 -20.524 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.357 1.052 -18.764 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.051 2.481 -18.739 1.00 0.00 C ATOM 1366 C LYS A 91 -6.569 2.629 -18.379 1.00 0.00 C ATOM 1367 O LYS A 91 -6.068 1.794 -17.624 1.00 0.00 O ATOM 1368 CB LYS A 91 -8.952 3.206 -17.718 1.00 0.00 C ATOM 1369 CG LYS A 91 -9.981 4.103 -18.429 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.300 4.239 -17.659 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.130 2.942 -17.600 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.506 2.426 -18.941 1.00 0.00 N ATOM 0 H LYS A 91 -7.737 0.505 -18.166 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.243 2.935 -19.711 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.469 2.473 -17.099 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.338 3.810 -17.050 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.550 5.093 -18.576 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.186 3.695 -19.419 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.083 4.565 -16.642 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.900 5.021 -18.123 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.561 2.178 -17.070 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.035 3.124 -17.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.271 1.729 -18.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.830 3.214 -19.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.680 1.974 -19.383 1.00 0.00 H new ATOM 1386 N PRO A 92 -5.866 3.653 -18.896 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.457 3.874 -18.595 1.00 0.00 C ATOM 1388 C PRO A 92 -4.282 4.406 -17.169 1.00 0.00 C ATOM 1389 O PRO A 92 -5.194 5.005 -16.597 1.00 0.00 O ATOM 1390 CB PRO A 92 -3.980 4.887 -19.643 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.237 5.698 -19.950 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.356 4.665 -19.822 1.00 0.00 C ATOM 0 HA PRO A 92 -3.875 2.953 -18.639 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.179 5.518 -19.257 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.594 4.392 -20.534 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.367 6.522 -19.248 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.202 6.133 -20.949 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.271 5.125 -19.448 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.593 4.225 -20.791 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.077 4.255 -16.609 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.759 4.651 -15.233 1.00 0.00 C ATOM 1402 C LYS A 93 -3.040 6.132 -14.998 1.00 0.00 C ATOM 1403 O LYS A 93 -3.482 6.502 -13.915 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.284 4.313 -14.962 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.801 4.595 -13.525 1.00 0.00 C ATOM 1406 CD LYS A 93 0.595 5.236 -13.560 1.00 0.00 C ATOM 1407 CE LYS A 93 0.595 6.684 -14.075 1.00 0.00 C ATOM 1408 NZ LYS A 93 0.012 7.632 -13.107 1.00 0.00 N ATOM 0 H LYS A 93 -2.284 3.849 -17.106 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.396 4.102 -14.539 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.123 3.258 -15.182 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.664 4.881 -15.655 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.503 5.258 -13.019 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.771 3.667 -12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.020 5.216 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.246 4.634 -14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.618 6.985 -14.301 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.034 6.733 -15.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.073 8.570 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.930 7.299 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.627 7.697 -12.271 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.794 6.989 -15.986 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.074 8.418 -15.868 1.00 0.00 C ATOM 1424 C GLU A 94 -4.567 8.697 -15.663 1.00 0.00 C ATOM 1425 O GLU A 94 -4.923 9.582 -14.882 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.528 9.178 -17.086 1.00 0.00 C ATOM 1427 CG GLU A 94 -0.993 9.286 -17.079 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.473 10.211 -15.963 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -0.345 9.749 -14.806 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.177 11.396 -16.239 1.00 0.00 O ATOM 0 H GLU A 94 -2.398 6.715 -16.885 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.560 8.781 -14.978 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.849 8.674 -17.998 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.959 10.179 -17.107 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.562 8.293 -16.953 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.654 9.661 -18.045 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.446 7.921 -16.297 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.878 8.020 -16.073 1.00 0.00 C ATOM 1439 C ALA A 95 -7.252 7.467 -14.699 1.00 0.00 C ATOM 1440 O ALA A 95 -8.084 8.050 -14.007 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.620 7.239 -17.152 1.00 0.00 C ATOM 0 H ALA A 95 -5.181 7.209 -16.978 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.162 9.072 -16.115 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.694 7.314 -16.982 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.378 7.651 -18.131 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.320 6.192 -17.115 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.638 6.354 -14.287 1.00 0.00 N ATOM 1448 CA LEU A 96 -6.924 5.737 -12.998 1.00 0.00 C ATOM 1449 C LEU A 96 -6.518 6.677 -11.869 1.00 0.00 C ATOM 1450 O LEU A 96 -7.285 6.854 -10.927 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.221 4.380 -12.825 1.00 0.00 C ATOM 1452 CG LEU A 96 -6.561 3.285 -13.854 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -5.937 1.956 -13.413 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -8.071 3.101 -14.045 1.00 0.00 C ATOM 0 H LEU A 96 -5.934 5.862 -14.837 1.00 0.00 H new ATOM 0 HA LEU A 96 -7.998 5.553 -12.962 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.145 4.549 -12.852 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.459 3.999 -11.832 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.149 3.603 -14.812 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.178 1.182 -14.141 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.855 2.067 -13.346 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.334 1.673 -12.438 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.252 2.317 -14.781 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.526 2.819 -13.095 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.510 4.035 -14.395 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.349 7.320 -11.960 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.924 8.249 -10.920 1.00 0.00 C ATOM 1468 C GLN A 97 -5.804 9.491 -10.931 1.00 0.00 C ATOM 1469 O GLN A 97 -6.045 10.062 -9.873 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.422 8.583 -10.971 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.960 9.459 -12.139 1.00 0.00 C ATOM 1472 CD GLN A 97 -3.269 10.954 -12.018 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.911 11.610 -11.044 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.927 11.521 -13.016 1.00 0.00 N ATOM 0 H GLN A 97 -4.692 7.214 -12.733 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.059 7.746 -9.962 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.151 9.083 -10.041 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.864 7.647 -11.004 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.883 9.339 -12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.422 9.085 -13.053 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.217 10.962 -13.818 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.144 12.517 -12.983 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.313 9.905 -12.099 1.00 0.00 N ATOM 1484 CA GLU A 98 -7.217 11.040 -12.177 1.00 0.00 C ATOM 1485 C GLU A 98 -8.487 10.672 -11.414 1.00 0.00 C ATOM 1486 O GLU A 98 -8.886 11.398 -10.505 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.488 11.424 -13.641 1.00 0.00 C ATOM 1488 CG GLU A 98 -8.434 12.625 -13.750 1.00 0.00 C ATOM 1489 CD GLU A 98 -8.597 13.087 -15.209 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -9.482 12.564 -15.923 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -7.860 13.998 -15.651 1.00 0.00 O ATOM 0 H GLU A 98 -6.109 9.466 -12.997 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.775 11.925 -11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.545 11.658 -14.136 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.920 10.572 -14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.409 12.359 -13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.049 13.448 -13.148 1.00 0.00 H new ATOM 1498 N LEU A 99 -9.047 9.496 -11.708 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.248 8.992 -11.050 1.00 0.00 C ATOM 1500 C LEU A 99 -10.037 8.916 -9.535 1.00 0.00 C ATOM 1501 O LEU A 99 -10.897 9.355 -8.775 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.620 7.625 -11.654 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.811 6.923 -10.971 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.105 7.744 -11.044 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.035 5.558 -11.632 1.00 0.00 C ATOM 0 H LEU A 99 -8.674 8.864 -12.416 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.080 9.676 -11.219 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.852 7.761 -12.710 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.750 6.970 -11.601 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.562 6.809 -9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.909 7.201 -10.547 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.955 8.704 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.371 7.912 -12.088 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.876 5.056 -11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.250 5.698 -12.691 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.138 4.949 -11.521 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.891 8.404 -9.087 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.575 8.291 -7.671 1.00 0.00 C ATOM 1519 C VAL A 100 -8.445 9.675 -7.036 1.00 0.00 C ATOM 1520 O VAL A 100 -9.043 9.907 -5.988 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.321 7.412 -7.493 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.706 7.518 -6.090 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.686 5.944 -7.775 1.00 0.00 C ATOM 0 H VAL A 100 -8.155 8.056 -9.702 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.390 7.797 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.574 7.774 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.827 6.876 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.415 8.551 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.438 7.203 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.802 5.319 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.460 5.621 -7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.055 5.851 -8.796 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.712 10.614 -7.643 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.471 11.921 -7.025 1.00 0.00 C ATOM 1535 C ASN A 101 -8.759 12.729 -6.852 1.00 0.00 C ATOM 1536 O ASN A 101 -8.847 13.540 -5.931 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.366 12.715 -7.747 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.861 13.906 -8.563 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -6.726 15.055 -8.156 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -7.425 13.661 -9.732 1.00 0.00 N ATOM 0 H ASN A 101 -7.277 10.494 -8.558 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.098 11.725 -6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.652 13.073 -7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.826 12.038 -8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.756 14.433 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.530 12.700 -10.056 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.781 12.471 -7.678 1.00 0.00 N ATOM 1548 CA LYS A 102 -11.114 13.045 -7.485 1.00 0.00 C ATOM 1549 C LYS A 102 -11.811 12.541 -6.210 1.00 0.00 C ATOM 1550 O LYS A 102 -12.766 13.189 -5.781 1.00 0.00 O ATOM 1551 CB LYS A 102 -12.002 12.792 -8.719 1.00 0.00 C ATOM 1552 CG LYS A 102 -11.573 13.548 -9.992 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.570 15.084 -9.884 1.00 0.00 C ATOM 1554 CE LYS A 102 -12.913 15.705 -9.459 1.00 0.00 C ATOM 1555 NZ LYS A 102 -13.984 15.527 -10.474 1.00 0.00 N ATOM 0 H LYS A 102 -9.706 11.862 -8.493 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.970 14.118 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.006 11.723 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -13.027 13.073 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.571 13.219 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.239 13.260 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.805 15.382 -9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.282 15.501 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.233 15.256 -8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.771 16.769 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.863 15.965 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.696 15.979 -11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.144 14.512 -10.636 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.359 11.443 -5.590 1.00 0.00 N ATOM 1570 CA HIS A 103 -11.989 10.850 -4.407 1.00 0.00 C ATOM 1571 C HIS A 103 -11.057 10.752 -3.192 1.00 0.00 C ATOM 1572 O HIS A 103 -11.558 10.478 -2.099 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.579 9.477 -4.764 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.758 9.576 -5.699 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -15.016 10.039 -5.379 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.769 9.262 -7.031 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.765 10.006 -6.495 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -15.043 9.546 -7.533 1.00 0.00 N ATOM 0 H HIS A 103 -10.532 10.935 -5.903 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.788 11.526 -4.104 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.806 8.862 -5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.887 8.970 -3.850 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.324 10.351 -4.458 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.939 8.864 -7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.801 10.307 -6.551 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.745 10.989 -3.330 1.00 0.00 N ATOM 1587 CA LEU A 104 -8.835 11.124 -2.189 1.00 0.00 C ATOM 1588 C LEU A 104 -9.350 12.216 -1.257 1.00 0.00 C ATOM 1589 O LEU A 104 -9.559 13.356 -1.725 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.385 11.414 -2.624 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.655 10.261 -3.341 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.225 10.689 -3.682 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.610 8.967 -2.518 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.546 11.929 -0.057 1.00 0.00 O ATOM 0 H LEU A 104 -9.287 11.092 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.814 10.171 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.391 12.281 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.809 11.690 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.224 10.047 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.712 9.872 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.252 11.561 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.692 10.939 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.083 8.196 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.089 9.151 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.626 8.633 -2.310 1.00 0.00 H new TER 1606 LEU A 104