USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 538 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 75 THR OG1 : rot 10:sc= 0.00856 USER MOD Set 1.2: A 79 TYR OH : rot 8:sc= 1.5 USER MOD Set 2.1: A 24 HIS : no HE2:sc= -1.44! C(o=-2.7!,f=-6.7!) USER MOD Set 2.2: A 65 THR OG1 : rot -51:sc= -1.22! USER MOD Single : A 6 SER OG : rot 180:sc= -0.936 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 131:sc= -0.196 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -24:sc= 0.377 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -68:sc= 0.813 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -162:sc= -0.297 (180deg=-1.97) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 160:sc= -0.442 USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= -0.0843 (180deg=-0.485) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0455 USER MOD Single : A 98 THR OG1 : rot 13:sc= -0.905 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.440 3.143 -5.549 1.00 0.76 N ATOM 57 CA LEU A 4 9.627 1.868 -6.221 1.00 0.64 C ATOM 58 C LEU A 4 9.547 2.078 -7.734 1.00 0.61 C ATOM 59 O LEU A 4 9.258 3.180 -8.198 1.00 0.66 O ATOM 60 CB LEU A 4 8.633 0.834 -5.690 1.00 0.96 C ATOM 61 CG LEU A 4 7.169 1.045 -6.084 1.00 0.60 C ATOM 62 CD1 LEU A 4 6.840 2.535 -6.190 1.00 0.74 C ATOM 63 CD2 LEU A 4 6.833 0.290 -7.371 1.00 0.52 C ATOM 0 HA LEU A 4 10.617 1.465 -6.007 1.00 0.64 H new ATOM 0 HB2 LEU A 4 8.944 -0.151 -6.038 1.00 0.96 H new ATOM 0 HB3 LEU A 4 8.698 0.823 -4.602 1.00 0.96 H new ATOM 0 HG LEU A 4 6.540 0.632 -5.296 1.00 0.60 H new ATOM 0 HD11 LEU A 4 5.794 2.658 -6.471 1.00 0.74 H new ATOM 0 HD12 LEU A 4 7.016 3.016 -5.228 1.00 0.74 H new ATOM 0 HD13 LEU A 4 7.475 2.995 -6.947 1.00 0.74 H new ATOM 0 HD21 LEU A 4 5.787 0.457 -7.628 1.00 0.52 H new ATOM 0 HD22 LEU A 4 7.468 0.650 -8.181 1.00 0.52 H new ATOM 0 HD23 LEU A 4 7.004 -0.776 -7.223 1.00 0.52 H new ATOM 75 N VAL A 5 9.808 1.002 -8.463 1.00 0.59 N ATOM 76 CA VAL A 5 9.770 1.055 -9.914 1.00 0.61 C ATOM 77 C VAL A 5 8.376 1.490 -10.368 1.00 0.59 C ATOM 78 O VAL A 5 8.161 2.655 -10.699 1.00 0.62 O ATOM 79 CB VAL A 5 10.195 -0.294 -10.498 1.00 0.65 C ATOM 80 CG1 VAL A 5 10.158 -0.266 -12.028 1.00 0.78 C ATOM 81 CG2 VAL A 5 11.580 -0.699 -9.990 1.00 0.77 C ATOM 0 H VAL A 5 10.046 0.089 -8.075 1.00 0.59 H new ATOM 0 HA VAL A 5 10.479 1.794 -10.288 1.00 0.61 H new ATOM 0 HB VAL A 5 9.481 -1.045 -10.160 1.00 0.65 H new ATOM 0 HG11 VAL A 5 10.464 -1.237 -12.417 1.00 0.78 H new ATOM 0 HG12 VAL A 5 9.145 -0.044 -12.363 1.00 0.78 H new ATOM 0 HG13 VAL A 5 10.838 0.503 -12.394 1.00 0.78 H new ATOM 0 HG21 VAL A 5 11.858 -1.661 -10.420 1.00 0.77 H new ATOM 0 HG22 VAL A 5 12.310 0.055 -10.284 1.00 0.77 H new ATOM 0 HG23 VAL A 5 11.560 -0.780 -8.903 1.00 0.77 H new ATOM 91 N SER A 6 7.462 0.530 -10.368 1.00 0.57 N ATOM 92 CA SER A 6 6.094 0.799 -10.776 1.00 0.57 C ATOM 93 C SER A 6 5.122 -0.013 -9.917 1.00 0.52 C ATOM 94 O SER A 6 5.459 -1.102 -9.455 1.00 0.52 O ATOM 95 CB SER A 6 5.887 0.479 -12.258 1.00 0.62 C ATOM 96 OG SER A 6 7.095 0.602 -13.004 1.00 0.81 O ATOM 0 H SER A 6 7.643 -0.435 -10.092 1.00 0.57 H new ATOM 0 HA SER A 6 5.897 1.861 -10.631 1.00 0.57 H new ATOM 0 HB2 SER A 6 5.500 -0.535 -12.359 1.00 0.62 H new ATOM 0 HB3 SER A 6 5.135 1.150 -12.672 1.00 0.62 H new ATOM 0 HG SER A 6 6.922 0.388 -13.945 1.00 0.81 H new ATOM 102 N SER A 7 3.937 0.548 -9.730 1.00 0.51 N ATOM 103 CA SER A 7 2.914 -0.111 -8.935 1.00 0.48 C ATOM 104 C SER A 7 1.529 0.396 -9.339 1.00 0.50 C ATOM 105 O SER A 7 1.411 1.419 -10.013 1.00 0.52 O ATOM 106 CB SER A 7 3.147 0.117 -7.440 1.00 0.43 C ATOM 107 OG SER A 7 3.202 1.503 -7.113 1.00 0.44 O ATOM 0 H SER A 7 3.662 1.452 -10.115 1.00 0.51 H new ATOM 0 HA SER A 7 2.971 -1.183 -9.125 1.00 0.48 H new ATOM 0 HB2 SER A 7 2.347 -0.358 -6.872 1.00 0.43 H new ATOM 0 HB3 SER A 7 4.079 -0.363 -7.141 1.00 0.43 H new ATOM 0 HG SER A 7 3.350 1.606 -6.150 1.00 0.44 H new ATOM 113 N THR A 8 0.515 -0.342 -8.912 1.00 0.50 N ATOM 114 CA THR A 8 -0.857 0.020 -9.222 1.00 0.53 C ATOM 115 C THR A 8 -1.750 -0.173 -7.993 1.00 0.51 C ATOM 116 O THR A 8 -2.718 -0.930 -8.038 1.00 0.54 O ATOM 117 CB THR A 8 -1.302 -0.804 -10.431 1.00 0.59 C ATOM 118 OG1 THR A 8 -0.139 -0.873 -11.252 1.00 1.13 O ATOM 119 CG2 THR A 8 -2.326 -0.067 -11.297 1.00 0.87 C ATOM 0 H THR A 8 0.617 -1.189 -8.354 1.00 0.50 H new ATOM 0 HA THR A 8 -0.938 1.075 -9.482 1.00 0.53 H new ATOM 0 HB THR A 8 -1.727 -1.748 -10.090 1.00 0.59 H new ATOM 0 HG1 THR A 8 0.018 -1.803 -11.519 1.00 1.13 H new ATOM 0 HG21 THR A 8 -2.608 -0.696 -12.141 1.00 0.87 H new ATOM 0 HG22 THR A 8 -3.210 0.159 -10.701 1.00 0.87 H new ATOM 0 HG23 THR A 8 -1.890 0.861 -11.666 1.00 0.87 H new ATOM 127 N PRO A 9 -1.382 0.544 -6.898 1.00 0.47 N ATOM 128 CA PRO A 9 -2.139 0.461 -5.660 1.00 0.46 C ATOM 129 C PRO A 9 -3.455 1.233 -5.767 1.00 0.50 C ATOM 130 O PRO A 9 -4.532 0.645 -5.686 1.00 0.53 O ATOM 131 CB PRO A 9 -1.209 1.016 -4.593 1.00 0.42 C ATOM 132 CG PRO A 9 -0.152 1.816 -5.336 1.00 0.42 C ATOM 133 CD PRO A 9 -0.242 1.453 -6.810 1.00 0.45 C ATOM 0 HA PRO A 9 -2.438 -0.559 -5.418 1.00 0.46 H new ATOM 0 HB2 PRO A 9 -1.753 1.647 -3.890 1.00 0.42 H new ATOM 0 HB3 PRO A 9 -0.755 0.212 -4.014 1.00 0.42 H new ATOM 0 HG2 PRO A 9 -0.314 2.885 -5.196 1.00 0.42 H new ATOM 0 HG3 PRO A 9 0.841 1.590 -4.947 1.00 0.42 H new ATOM 0 HD2 PRO A 9 -0.393 2.338 -7.428 1.00 0.45 H new ATOM 0 HD3 PRO A 9 0.674 0.975 -7.157 1.00 0.45 H new ATOM 141 N ALA A 10 -3.324 2.539 -5.950 1.00 0.56 N ATOM 142 CA ALA A 10 -4.489 3.398 -6.070 1.00 0.62 C ATOM 143 C ALA A 10 -4.052 4.861 -5.963 1.00 0.58 C ATOM 144 O ALA A 10 -4.665 5.644 -5.240 1.00 0.59 O ATOM 145 CB ALA A 10 -5.517 3.017 -5.002 1.00 0.68 C ATOM 0 H ALA A 10 -2.429 3.023 -6.018 1.00 0.56 H new ATOM 0 HA ALA A 10 -4.964 3.266 -7.042 1.00 0.62 H new ATOM 0 HB1 ALA A 10 -6.391 3.662 -5.092 1.00 0.68 H new ATOM 0 HB2 ALA A 10 -5.817 1.978 -5.140 1.00 0.68 H new ATOM 0 HB3 ALA A 10 -5.076 3.140 -4.013 1.00 0.68 H new ATOM 151 N GLU A 11 -2.998 5.184 -6.696 1.00 0.56 N ATOM 152 CA GLU A 11 -2.472 6.539 -6.694 1.00 0.56 C ATOM 153 C GLU A 11 -3.613 7.551 -6.804 1.00 0.62 C ATOM 154 O GLU A 11 -4.259 7.653 -7.847 1.00 0.70 O ATOM 155 CB GLU A 11 -1.454 6.735 -7.820 1.00 0.61 C ATOM 156 CG GLU A 11 -0.060 7.009 -7.256 1.00 0.56 C ATOM 157 CD GLU A 11 0.690 8.026 -8.118 1.00 1.61 C ATOM 158 OE1 GLU A 11 1.338 7.526 -9.114 1.00 2.01 O ATOM 159 OE2 GLU A 11 0.644 9.234 -7.834 1.00 3.23 O ATOM 0 H GLU A 11 -2.493 4.531 -7.296 1.00 0.56 H new ATOM 0 HA GLU A 11 -1.955 6.705 -5.749 1.00 0.56 H new ATOM 0 HB2 GLU A 11 -1.427 5.846 -8.450 1.00 0.61 H new ATOM 0 HB3 GLU A 11 -1.763 7.566 -8.454 1.00 0.61 H new ATOM 0 HG2 GLU A 11 -0.144 7.383 -6.236 1.00 0.56 H new ATOM 0 HG3 GLU A 11 0.506 6.079 -7.209 1.00 0.56 H new ATOM 166 N GLY A 12 -3.828 8.274 -5.715 1.00 0.59 N ATOM 167 CA GLY A 12 -4.881 9.276 -5.677 1.00 0.66 C ATOM 168 C GLY A 12 -6.168 8.743 -6.309 1.00 0.69 C ATOM 169 O GLY A 12 -6.904 9.490 -6.951 1.00 0.84 O ATOM 0 H GLY A 12 -3.291 8.186 -4.852 1.00 0.59 H new ATOM 0 HA2 GLY A 12 -5.073 9.568 -4.645 1.00 0.66 H new ATOM 0 HA3 GLY A 12 -4.555 10.171 -6.207 1.00 0.66 H new ATOM 173 N SER A 13 -6.400 7.454 -6.106 1.00 0.66 N ATOM 174 CA SER A 13 -7.585 6.813 -6.649 1.00 0.75 C ATOM 175 C SER A 13 -8.833 7.315 -5.920 1.00 0.60 C ATOM 176 O SER A 13 -9.210 6.774 -4.882 1.00 0.56 O ATOM 177 CB SER A 13 -7.484 5.289 -6.542 1.00 0.89 C ATOM 178 OG SER A 13 -7.145 4.688 -7.787 1.00 1.38 O ATOM 0 H SER A 13 -5.787 6.837 -5.573 1.00 0.66 H new ATOM 0 HA SER A 13 -7.661 7.072 -7.705 1.00 0.75 H new ATOM 0 HB2 SER A 13 -6.733 5.027 -5.797 1.00 0.89 H new ATOM 0 HB3 SER A 13 -8.435 4.886 -6.192 1.00 0.89 H new ATOM 0 HG SER A 13 -7.089 3.716 -7.676 1.00 1.38 H new ATOM 184 N GLU A 14 -9.439 8.345 -6.492 1.00 0.61 N ATOM 185 CA GLU A 14 -10.636 8.927 -5.909 1.00 0.63 C ATOM 186 C GLU A 14 -11.864 8.564 -6.746 1.00 0.71 C ATOM 187 O GLU A 14 -11.913 8.855 -7.941 1.00 0.81 O ATOM 188 CB GLU A 14 -10.496 10.444 -5.769 1.00 0.83 C ATOM 189 CG GLU A 14 -9.165 10.814 -5.112 1.00 0.91 C ATOM 190 CD GLU A 14 -8.777 12.258 -5.433 1.00 1.18 C ATOM 191 OE1 GLU A 14 -9.562 13.183 -5.170 1.00 1.25 O ATOM 192 OE2 GLU A 14 -7.616 12.405 -5.974 1.00 2.10 O ATOM 0 H GLU A 14 -9.123 8.792 -7.353 1.00 0.61 H new ATOM 0 HA GLU A 14 -10.767 8.514 -4.909 1.00 0.63 H new ATOM 0 HB2 GLU A 14 -10.563 10.911 -6.752 1.00 0.83 H new ATOM 0 HB3 GLU A 14 -11.321 10.835 -5.173 1.00 0.83 H new ATOM 0 HG2 GLU A 14 -9.240 10.686 -4.032 1.00 0.91 H new ATOM 0 HG3 GLU A 14 -8.384 10.138 -5.460 1.00 0.91 H new ATOM 199 N GLY A 15 -12.826 7.935 -6.087 1.00 0.75 N ATOM 200 CA GLY A 15 -14.050 7.530 -6.756 1.00 0.93 C ATOM 201 C GLY A 15 -14.674 6.314 -6.068 1.00 0.71 C ATOM 202 O GLY A 15 -15.875 6.294 -5.804 1.00 0.70 O ATOM 0 H GLY A 15 -12.782 7.696 -5.096 1.00 0.75 H new ATOM 0 HA2 GLY A 15 -14.760 8.357 -6.755 1.00 0.93 H new ATOM 0 HA3 GLY A 15 -13.838 7.293 -7.799 1.00 0.93 H new ATOM 206 N ALA A 16 -13.830 5.330 -5.797 1.00 0.80 N ATOM 207 CA ALA A 16 -14.284 4.113 -5.145 1.00 0.84 C ATOM 208 C ALA A 16 -13.073 3.347 -4.606 1.00 1.10 C ATOM 209 O ALA A 16 -11.936 3.645 -4.965 1.00 1.74 O ATOM 210 CB ALA A 16 -15.107 3.281 -6.131 1.00 1.14 C ATOM 0 H ALA A 16 -12.834 5.350 -6.017 1.00 0.80 H new ATOM 0 HA ALA A 16 -14.930 4.349 -4.299 1.00 0.84 H new ATOM 0 HB1 ALA A 16 -15.447 2.368 -5.642 1.00 1.14 H new ATOM 0 HB2 ALA A 16 -15.970 3.858 -6.463 1.00 1.14 H new ATOM 0 HB3 ALA A 16 -14.491 3.023 -6.992 1.00 1.14 H new ATOM 216 N ALA A 17 -13.361 2.375 -3.753 1.00 0.80 N ATOM 217 CA ALA A 17 -12.311 1.564 -3.160 1.00 1.08 C ATOM 218 C ALA A 17 -11.751 0.611 -4.217 1.00 0.95 C ATOM 219 O ALA A 17 -12.506 0.024 -4.992 1.00 0.92 O ATOM 220 CB ALA A 17 -12.864 0.824 -1.941 1.00 1.37 C ATOM 0 H ALA A 17 -14.306 2.131 -3.458 1.00 0.80 H new ATOM 0 HA ALA A 17 -11.490 2.192 -2.814 1.00 1.08 H new ATOM 0 HB1 ALA A 17 -12.076 0.216 -1.496 1.00 1.37 H new ATOM 0 HB2 ALA A 17 -13.222 1.547 -1.208 1.00 1.37 H new ATOM 0 HB3 ALA A 17 -13.689 0.181 -2.249 1.00 1.37 H new ATOM 226 N PRO A 18 -10.397 0.482 -4.216 1.00 1.00 N ATOM 227 CA PRO A 18 -9.727 -0.390 -5.166 1.00 1.03 C ATOM 228 C PRO A 18 -9.901 -1.860 -4.778 1.00 0.93 C ATOM 229 O PRO A 18 -9.911 -2.196 -3.594 1.00 1.36 O ATOM 230 CB PRO A 18 -8.276 0.059 -5.156 1.00 1.24 C ATOM 231 CG PRO A 18 -8.092 0.849 -3.871 1.00 1.30 C ATOM 232 CD PRO A 18 -9.471 1.162 -3.315 1.00 1.17 C ATOM 0 HA PRO A 18 -10.145 -0.319 -6.170 1.00 1.03 H new ATOM 0 HB2 PRO A 18 -7.602 -0.797 -5.188 1.00 1.24 H new ATOM 0 HB3 PRO A 18 -8.052 0.674 -6.028 1.00 1.24 H new ATOM 0 HG2 PRO A 18 -7.511 0.275 -3.150 1.00 1.30 H new ATOM 0 HG3 PRO A 18 -7.540 1.769 -4.064 1.00 1.30 H new ATOM 0 HD2 PRO A 18 -9.577 0.801 -2.292 1.00 1.17 H new ATOM 0 HD3 PRO A 18 -9.655 2.236 -3.295 1.00 1.17 H new ATOM 240 N ALA A 19 -10.034 -2.696 -5.796 1.00 0.62 N ATOM 241 CA ALA A 19 -10.208 -4.122 -5.576 1.00 0.59 C ATOM 242 C ALA A 19 -8.976 -4.676 -4.857 1.00 0.48 C ATOM 243 O ALA A 19 -9.098 -5.317 -3.814 1.00 0.48 O ATOM 244 CB ALA A 19 -10.463 -4.818 -6.914 1.00 0.71 C ATOM 0 H ALA A 19 -10.025 -2.414 -6.776 1.00 0.62 H new ATOM 0 HA ALA A 19 -11.074 -4.309 -4.941 1.00 0.59 H new ATOM 0 HB1 ALA A 19 -10.593 -5.887 -6.749 1.00 0.71 H new ATOM 0 HB2 ALA A 19 -11.364 -4.409 -7.371 1.00 0.71 H new ATOM 0 HB3 ALA A 19 -9.613 -4.654 -7.577 1.00 0.71 H new ATOM 250 N LYS A 20 -7.818 -4.408 -5.443 1.00 0.44 N ATOM 251 CA LYS A 20 -6.565 -4.871 -4.871 1.00 0.41 C ATOM 252 C LYS A 20 -5.428 -3.962 -5.340 1.00 0.41 C ATOM 253 O LYS A 20 -5.458 -3.451 -6.458 1.00 0.52 O ATOM 254 CB LYS A 20 -6.344 -6.351 -5.194 1.00 0.46 C ATOM 255 CG LYS A 20 -6.351 -6.588 -6.706 1.00 0.56 C ATOM 256 CD LYS A 20 -7.136 -7.854 -7.058 1.00 1.48 C ATOM 257 CE LYS A 20 -8.061 -7.611 -8.253 1.00 2.15 C ATOM 258 NZ LYS A 20 -9.211 -8.541 -8.216 1.00 3.32 N ATOM 0 H LYS A 20 -7.721 -3.876 -6.308 1.00 0.44 H new ATOM 0 HA LYS A 20 -6.595 -4.807 -3.783 1.00 0.41 H new ATOM 0 HB2 LYS A 20 -5.393 -6.681 -4.775 1.00 0.46 H new ATOM 0 HB3 LYS A 20 -7.124 -6.950 -4.725 1.00 0.46 H new ATOM 0 HG2 LYS A 20 -6.794 -5.729 -7.210 1.00 0.56 H new ATOM 0 HG3 LYS A 20 -5.327 -6.678 -7.069 1.00 0.56 H new ATOM 0 HD2 LYS A 20 -6.443 -8.663 -7.288 1.00 1.48 H new ATOM 0 HD3 LYS A 20 -7.724 -8.173 -6.197 1.00 1.48 H new ATOM 0 HE2 LYS A 20 -8.418 -6.581 -8.240 1.00 2.15 H new ATOM 0 HE3 LYS A 20 -7.507 -7.745 -9.182 1.00 2.15 H new ATOM 0 HZ1 LYS A 20 -9.828 -8.362 -9.034 1.00 3.32 H new ATOM 0 HZ2 LYS A 20 -8.866 -9.521 -8.250 1.00 3.32 H new ATOM 0 HZ3 LYS A 20 -9.748 -8.394 -7.338 1.00 3.32 H new ATOM 272 N ILE A 21 -4.451 -3.788 -4.461 1.00 0.36 N ATOM 273 CA ILE A 21 -3.306 -2.950 -4.771 1.00 0.37 C ATOM 274 C ILE A 21 -2.263 -3.777 -5.526 1.00 0.38 C ATOM 275 O ILE A 21 -2.075 -4.957 -5.238 1.00 0.37 O ATOM 276 CB ILE A 21 -2.766 -2.290 -3.501 1.00 0.38 C ATOM 277 CG1 ILE A 21 -3.490 -0.972 -3.218 1.00 0.40 C ATOM 278 CG2 ILE A 21 -1.249 -2.106 -3.581 1.00 0.39 C ATOM 279 CD1 ILE A 21 -4.248 -1.037 -1.891 1.00 0.46 C ATOM 0 H ILE A 21 -4.430 -4.214 -3.534 1.00 0.36 H new ATOM 0 HA ILE A 21 -3.600 -2.131 -5.428 1.00 0.37 H new ATOM 0 HB ILE A 21 -2.965 -2.954 -2.660 1.00 0.38 H new ATOM 0 HG12 ILE A 21 -2.768 -0.156 -3.189 1.00 0.40 H new ATOM 0 HG13 ILE A 21 -4.186 -0.754 -4.028 1.00 0.40 H new ATOM 0 HG21 ILE A 21 -0.891 -1.635 -2.666 1.00 0.39 H new ATOM 0 HG22 ILE A 21 -0.770 -3.078 -3.700 1.00 0.39 H new ATOM 0 HG23 ILE A 21 -1.004 -1.474 -4.434 1.00 0.39 H new ATOM 0 HD11 ILE A 21 -4.754 -0.088 -1.714 1.00 0.46 H new ATOM 0 HD12 ILE A 21 -4.985 -1.839 -1.932 1.00 0.46 H new ATOM 0 HD13 ILE A 21 -3.546 -1.231 -1.080 1.00 0.46 H new ATOM 291 N GLU A 22 -1.613 -3.123 -6.478 1.00 0.41 N ATOM 292 CA GLU A 22 -0.593 -3.783 -7.276 1.00 0.44 C ATOM 293 C GLU A 22 0.766 -3.117 -7.057 1.00 0.42 C ATOM 294 O GLU A 22 0.838 -1.918 -6.789 1.00 0.40 O ATOM 295 CB GLU A 22 -0.973 -3.783 -8.758 1.00 0.47 C ATOM 296 CG GLU A 22 -0.762 -5.164 -9.379 1.00 0.59 C ATOM 297 CD GLU A 22 -0.796 -5.091 -10.907 1.00 0.85 C ATOM 298 OE1 GLU A 22 -0.291 -4.122 -11.492 1.00 1.53 O ATOM 299 OE2 GLU A 22 -1.374 -6.088 -11.487 1.00 1.59 O ATOM 0 H GLU A 22 -1.773 -2.144 -6.715 1.00 0.41 H new ATOM 0 HA GLU A 22 -0.521 -4.822 -6.953 1.00 0.44 H new ATOM 0 HB2 GLU A 22 -2.016 -3.486 -8.869 1.00 0.47 H new ATOM 0 HB3 GLU A 22 -0.373 -3.045 -9.291 1.00 0.47 H new ATOM 0 HG2 GLU A 22 0.195 -5.571 -9.052 1.00 0.59 H new ATOM 0 HG3 GLU A 22 -1.535 -5.847 -9.027 1.00 0.59 H new ATOM 306 N LEU A 23 1.811 -3.922 -7.179 1.00 0.44 N ATOM 307 CA LEU A 23 3.164 -3.426 -6.999 1.00 0.44 C ATOM 308 C LEU A 23 4.114 -4.200 -7.915 1.00 0.47 C ATOM 309 O LEU A 23 3.924 -5.394 -8.146 1.00 0.49 O ATOM 310 CB LEU A 23 3.559 -3.475 -5.521 1.00 0.45 C ATOM 311 CG LEU A 23 2.596 -2.793 -4.546 1.00 0.46 C ATOM 312 CD1 LEU A 23 2.790 -3.324 -3.124 1.00 0.51 C ATOM 313 CD2 LEU A 23 2.732 -1.271 -4.614 1.00 0.42 C ATOM 0 H LEU A 23 1.747 -4.916 -7.401 1.00 0.44 H new ATOM 0 HA LEU A 23 3.227 -2.377 -7.289 1.00 0.44 H new ATOM 0 HB2 LEU A 23 3.662 -4.520 -5.227 1.00 0.45 H new ATOM 0 HB3 LEU A 23 4.541 -3.015 -5.412 1.00 0.45 H new ATOM 0 HG LEU A 23 1.577 -3.037 -4.845 1.00 0.46 H new ATOM 0 HD11 LEU A 23 2.094 -2.824 -2.451 1.00 0.51 H new ATOM 0 HD12 LEU A 23 2.602 -4.398 -3.108 1.00 0.51 H new ATOM 0 HD13 LEU A 23 3.812 -3.130 -2.799 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.037 -0.812 -3.911 1.00 0.42 H new ATOM 0 HD22 LEU A 23 3.751 -0.985 -4.355 1.00 0.42 H new ATOM 0 HD23 LEU A 23 2.505 -0.930 -5.624 1.00 0.42 H new ATOM 325 N HIS A 24 5.116 -3.490 -8.412 1.00 0.50 N ATOM 326 CA HIS A 24 6.095 -4.096 -9.298 1.00 0.54 C ATOM 327 C HIS A 24 7.497 -3.621 -8.913 1.00 0.56 C ATOM 328 O HIS A 24 7.651 -2.585 -8.267 1.00 0.59 O ATOM 329 CB HIS A 24 5.754 -3.810 -10.761 1.00 0.55 C ATOM 330 CG HIS A 24 4.678 -4.707 -11.328 1.00 0.57 C ATOM 331 ND1 HIS A 24 4.948 -5.953 -11.866 1.00 0.63 N ATOM 332 CD2 HIS A 24 3.331 -4.525 -11.433 1.00 0.59 C ATOM 333 CE1 HIS A 24 3.807 -6.489 -12.274 1.00 0.64 C ATOM 334 NE2 HIS A 24 2.806 -5.602 -12.005 1.00 0.61 N ATOM 0 H HIS A 24 5.271 -2.501 -8.218 1.00 0.50 H new ATOM 0 HA HIS A 24 6.072 -5.180 -9.185 1.00 0.54 H new ATOM 0 HB2 HIS A 24 5.433 -2.772 -10.852 1.00 0.55 H new ATOM 0 HB3 HIS A 24 6.657 -3.918 -11.362 1.00 0.55 H new ATOM 0 HD1 HIS A 24 5.869 -6.385 -11.937 1.00 0.63 H new ATOM 0 HD2 HIS A 24 2.784 -3.653 -11.106 1.00 0.59 H new ATOM 0 HE1 HIS A 24 3.690 -7.457 -12.738 1.00 0.64 H new ATOM 342 N PHE A 25 8.485 -4.402 -9.325 1.00 0.62 N ATOM 343 CA PHE A 25 9.870 -4.075 -9.031 1.00 0.66 C ATOM 344 C PHE A 25 10.812 -4.702 -10.061 1.00 0.71 C ATOM 345 O PHE A 25 11.002 -5.917 -10.075 1.00 0.94 O ATOM 346 CB PHE A 25 10.184 -4.656 -7.651 1.00 0.75 C ATOM 347 CG PHE A 25 9.758 -3.760 -6.487 1.00 0.77 C ATOM 348 CD1 PHE A 25 8.477 -3.796 -6.033 1.00 1.70 C ATOM 349 CD2 PHE A 25 10.662 -2.925 -5.905 1.00 2.05 C ATOM 350 CE1 PHE A 25 8.081 -2.964 -4.953 1.00 1.77 C ATOM 351 CE2 PHE A 25 10.266 -2.093 -4.825 1.00 2.21 C ATOM 352 CZ PHE A 25 8.985 -2.130 -4.371 1.00 1.21 C ATOM 0 H PHE A 25 8.354 -5.260 -9.860 1.00 0.62 H new ATOM 0 HA PHE A 25 10.011 -2.995 -9.059 1.00 0.66 H new ATOM 0 HB2 PHE A 25 9.688 -5.622 -7.553 1.00 0.75 H new ATOM 0 HB3 PHE A 25 11.256 -4.840 -7.581 1.00 0.75 H new ATOM 0 HD1 PHE A 25 7.760 -4.458 -6.495 1.00 1.70 H new ATOM 0 HD2 PHE A 25 11.680 -2.896 -6.265 1.00 2.05 H new ATOM 0 HE1 PHE A 25 7.063 -2.993 -4.594 1.00 1.77 H new ATOM 0 HE2 PHE A 25 10.983 -1.430 -4.364 1.00 2.21 H new ATOM 0 HZ PHE A 25 8.685 -1.498 -3.549 1.00 1.21 H new ATOM 362 N SER A 26 11.376 -3.844 -10.899 1.00 0.68 N ATOM 363 CA SER A 26 12.294 -4.299 -11.930 1.00 0.78 C ATOM 364 C SER A 26 13.611 -4.750 -11.296 1.00 0.84 C ATOM 365 O SER A 26 14.472 -5.308 -11.976 1.00 0.95 O ATOM 366 CB SER A 26 12.551 -3.199 -12.962 1.00 0.98 C ATOM 367 OG SER A 26 13.488 -3.607 -13.955 1.00 1.84 O ATOM 0 H SER A 26 11.215 -2.837 -10.885 1.00 0.68 H new ATOM 0 HA SER A 26 11.838 -5.144 -12.445 1.00 0.78 H new ATOM 0 HB2 SER A 26 11.611 -2.925 -13.441 1.00 0.98 H new ATOM 0 HB3 SER A 26 12.923 -2.308 -12.457 1.00 0.98 H new ATOM 0 HG SER A 26 14.054 -4.322 -13.597 1.00 1.84 H new ATOM 499 N GLY A 35 7.247 -4.223 3.323 1.00 0.81 N ATOM 500 CA GLY A 35 5.875 -4.497 3.715 1.00 0.91 C ATOM 501 C GLY A 35 4.968 -3.305 3.409 1.00 0.80 C ATOM 502 O GLY A 35 5.451 -2.213 3.112 1.00 1.02 O ATOM 0 HA2 GLY A 35 5.512 -5.379 3.188 1.00 0.91 H new ATOM 0 HA3 GLY A 35 5.836 -4.724 4.780 1.00 0.91 H new ATOM 506 N ALA A 36 3.669 -3.553 3.490 1.00 0.57 N ATOM 507 CA ALA A 36 2.689 -2.514 3.225 1.00 0.54 C ATOM 508 C ALA A 36 1.593 -2.569 4.290 1.00 0.56 C ATOM 509 O ALA A 36 1.337 -3.623 4.869 1.00 0.64 O ATOM 510 CB ALA A 36 2.136 -2.682 1.809 1.00 0.60 C ATOM 0 H ALA A 36 3.272 -4.460 3.736 1.00 0.57 H new ATOM 0 HA ALA A 36 3.151 -1.528 3.279 1.00 0.54 H new ATOM 0 HB1 ALA A 36 1.401 -1.902 1.611 1.00 0.60 H new ATOM 0 HB2 ALA A 36 2.950 -2.604 1.089 1.00 0.60 H new ATOM 0 HB3 ALA A 36 1.662 -3.659 1.717 1.00 0.60 H new ATOM 516 N LYS A 37 0.973 -1.419 4.516 1.00 0.53 N ATOM 517 CA LYS A 37 -0.090 -1.323 5.501 1.00 0.58 C ATOM 518 C LYS A 37 -1.055 -0.207 5.096 1.00 0.55 C ATOM 519 O LYS A 37 -0.643 0.936 4.906 1.00 0.53 O ATOM 520 CB LYS A 37 0.494 -1.152 6.905 1.00 0.65 C ATOM 521 CG LYS A 37 0.771 -2.510 7.553 1.00 0.75 C ATOM 522 CD LYS A 37 0.211 -2.565 8.975 1.00 1.40 C ATOM 523 CE LYS A 37 -1.184 -3.192 8.991 1.00 2.92 C ATOM 524 NZ LYS A 37 -1.570 -3.563 10.371 1.00 3.56 N ATOM 0 H LYS A 37 1.187 -0.546 4.033 1.00 0.53 H new ATOM 0 HA LYS A 37 -0.666 -2.248 5.531 1.00 0.58 H new ATOM 0 HB2 LYS A 37 1.418 -0.576 6.851 1.00 0.65 H new ATOM 0 HB3 LYS A 37 -0.200 -0.584 7.525 1.00 0.65 H new ATOM 0 HG2 LYS A 37 0.324 -3.302 6.952 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.845 -2.694 7.574 1.00 0.75 H new ATOM 0 HD2 LYS A 37 0.881 -3.143 9.611 1.00 1.40 H new ATOM 0 HD3 LYS A 37 0.166 -1.559 9.391 1.00 1.40 H new ATOM 0 HE2 LYS A 37 -1.910 -2.490 8.581 1.00 2.92 H new ATOM 0 HE3 LYS A 37 -1.199 -4.076 8.353 1.00 2.92 H new ATOM 0 HZ1 LYS A 37 -2.520 -3.987 10.364 1.00 3.56 H new ATOM 0 HZ2 LYS A 37 -0.887 -4.250 10.750 1.00 3.56 H new ATOM 0 HZ3 LYS A 37 -1.575 -2.713 10.970 1.00 3.56 H new ATOM 538 N LEU A 38 -2.322 -0.578 4.977 1.00 0.58 N ATOM 539 CA LEU A 38 -3.349 0.377 4.598 1.00 0.57 C ATOM 540 C LEU A 38 -4.039 0.904 5.858 1.00 0.59 C ATOM 541 O LEU A 38 -4.467 0.126 6.707 1.00 0.73 O ATOM 542 CB LEU A 38 -4.311 -0.245 3.585 1.00 0.63 C ATOM 543 CG LEU A 38 -5.558 0.579 3.251 1.00 0.71 C ATOM 544 CD1 LEU A 38 -5.194 2.040 2.985 1.00 0.70 C ATOM 545 CD2 LEU A 38 -6.328 -0.042 2.083 1.00 0.94 C ATOM 0 H LEU A 38 -2.660 -1.527 5.136 1.00 0.58 H new ATOM 0 HA LEU A 38 -2.904 1.235 4.095 1.00 0.57 H new ATOM 0 HB2 LEU A 38 -3.764 -0.431 2.661 1.00 0.63 H new ATOM 0 HB3 LEU A 38 -4.632 -1.215 3.966 1.00 0.63 H new ATOM 0 HG LEU A 38 -6.220 0.565 4.117 1.00 0.71 H new ATOM 0 HD11 LEU A 38 -6.097 2.603 2.750 1.00 0.70 H new ATOM 0 HD12 LEU A 38 -4.722 2.464 3.871 1.00 0.70 H new ATOM 0 HD13 LEU A 38 -4.503 2.095 2.144 1.00 0.70 H new ATOM 0 HD21 LEU A 38 -7.209 0.562 1.866 1.00 0.94 H new ATOM 0 HD22 LEU A 38 -5.687 -0.078 1.202 1.00 0.94 H new ATOM 0 HD23 LEU A 38 -6.638 -1.053 2.348 1.00 0.94 H new ATOM 557 N VAL A 39 -4.123 2.224 5.938 1.00 0.53 N ATOM 558 CA VAL A 39 -4.754 2.865 7.081 1.00 0.56 C ATOM 559 C VAL A 39 -5.865 3.794 6.590 1.00 0.54 C ATOM 560 O VAL A 39 -5.680 4.534 5.624 1.00 0.55 O ATOM 561 CB VAL A 39 -3.700 3.587 7.923 1.00 0.61 C ATOM 562 CG1 VAL A 39 -2.500 2.678 8.198 1.00 0.65 C ATOM 563 CG2 VAL A 39 -3.258 4.888 7.251 1.00 0.68 C ATOM 0 H VAL A 39 -3.765 2.867 5.231 1.00 0.53 H new ATOM 0 HA VAL A 39 -5.216 2.121 7.730 1.00 0.56 H new ATOM 0 HB VAL A 39 -4.154 3.842 8.881 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -1.766 3.216 8.798 1.00 0.65 H new ATOM 0 HG12 VAL A 39 -2.831 1.792 8.739 1.00 0.65 H new ATOM 0 HG13 VAL A 39 -2.047 2.378 7.253 1.00 0.65 H new ATOM 0 HG21 VAL A 39 -2.509 5.381 7.870 1.00 0.68 H new ATOM 0 HG22 VAL A 39 -2.831 4.666 6.273 1.00 0.68 H new ATOM 0 HG23 VAL A 39 -4.119 5.546 7.130 1.00 0.68 H new ATOM 573 N MET A 40 -6.996 3.726 7.277 1.00 0.57 N ATOM 574 CA MET A 40 -8.139 4.551 6.922 1.00 0.59 C ATOM 575 C MET A 40 -8.056 5.920 7.599 1.00 0.66 C ATOM 576 O MET A 40 -8.450 6.070 8.755 1.00 0.71 O ATOM 577 CB MET A 40 -9.429 3.848 7.348 1.00 0.61 C ATOM 578 CG MET A 40 -10.651 4.723 7.059 1.00 0.69 C ATOM 579 SD MET A 40 -11.725 4.759 8.484 1.00 1.00 S ATOM 580 CE MET A 40 -12.603 3.224 8.249 1.00 2.22 C ATOM 0 H MET A 40 -7.146 3.112 8.078 1.00 0.57 H new ATOM 0 HA MET A 40 -8.136 4.699 5.842 1.00 0.59 H new ATOM 0 HB2 MET A 40 -9.523 2.900 6.819 1.00 0.61 H new ATOM 0 HB3 MET A 40 -9.387 3.616 8.412 1.00 0.61 H new ATOM 0 HG2 MET A 40 -10.333 5.735 6.807 1.00 0.69 H new ATOM 0 HG3 MET A 40 -11.191 4.334 6.196 1.00 0.69 H new ATOM 0 HE1 MET A 40 -13.321 3.088 9.058 1.00 2.22 H new ATOM 0 HE2 MET A 40 -13.131 3.249 7.296 1.00 2.22 H new ATOM 0 HE3 MET A 40 -11.894 2.396 8.249 1.00 2.22 H new ATOM 590 N THR A 41 -7.540 6.885 6.850 1.00 0.68 N ATOM 591 CA THR A 41 -7.402 8.237 7.365 1.00 0.76 C ATOM 592 C THR A 41 -8.486 9.145 6.781 1.00 0.77 C ATOM 593 O THR A 41 -8.182 10.136 6.120 1.00 0.90 O ATOM 594 CB THR A 41 -5.980 8.715 7.058 1.00 0.94 C ATOM 595 OG1 THR A 41 -5.972 10.075 7.486 1.00 1.07 O ATOM 596 CG2 THR A 41 -5.701 8.795 5.556 1.00 1.06 C ATOM 0 H THR A 41 -7.213 6.757 5.892 1.00 0.68 H new ATOM 0 HA THR A 41 -7.546 8.265 8.445 1.00 0.76 H new ATOM 0 HB THR A 41 -5.261 8.042 7.525 1.00 0.94 H new ATOM 0 HG1 THR A 41 -6.552 10.606 6.901 1.00 1.07 H new ATOM 0 HG21 THR A 41 -4.680 9.139 5.393 1.00 1.06 H new ATOM 0 HG22 THR A 41 -5.827 7.809 5.109 1.00 1.06 H new ATOM 0 HG23 THR A 41 -6.397 9.494 5.093 1.00 1.06 H new ATOM 604 N ALA A 42 -9.730 8.771 7.046 1.00 0.69 N ATOM 605 CA ALA A 42 -10.862 9.539 6.555 1.00 0.77 C ATOM 606 C ALA A 42 -10.877 10.909 7.235 1.00 0.95 C ATOM 607 O ALA A 42 -10.842 11.939 6.564 1.00 2.01 O ATOM 608 CB ALA A 42 -12.154 8.754 6.796 1.00 0.88 C ATOM 0 H ALA A 42 -9.978 7.947 7.594 1.00 0.69 H new ATOM 0 HA ALA A 42 -10.776 9.705 5.481 1.00 0.77 H new ATOM 0 HB1 ALA A 42 -13.003 9.329 6.428 1.00 0.88 H new ATOM 0 HB2 ALA A 42 -12.105 7.802 6.268 1.00 0.88 H new ATOM 0 HB3 ALA A 42 -12.275 8.571 7.864 1.00 0.88 H new ATOM 726 N MET A 51 -7.076 4.871 11.325 1.00 1.26 N ATOM 727 CA MET A 51 -7.386 3.510 11.729 1.00 1.25 C ATOM 728 C MET A 51 -6.831 2.500 10.723 1.00 1.12 C ATOM 729 O MET A 51 -7.095 2.601 9.526 1.00 1.13 O ATOM 730 CB MET A 51 -8.903 3.343 11.837 1.00 1.32 C ATOM 731 CG MET A 51 -9.429 3.948 13.140 1.00 1.62 C ATOM 732 SD MET A 51 -9.254 2.775 14.473 1.00 1.85 S ATOM 733 CE MET A 51 -8.846 3.885 15.811 1.00 2.30 C ATOM 0 HA MET A 51 -6.921 3.323 12.697 1.00 1.25 H new ATOM 0 HB2 MET A 51 -9.387 3.824 10.987 1.00 1.32 H new ATOM 0 HB3 MET A 51 -9.160 2.285 11.793 1.00 1.32 H new ATOM 0 HG2 MET A 51 -8.881 4.861 13.374 1.00 1.62 H new ATOM 0 HG3 MET A 51 -10.477 4.226 13.025 1.00 1.62 H new ATOM 0 HE1 MET A 51 -8.702 3.313 16.727 1.00 2.30 H new ATOM 0 HE2 MET A 51 -7.929 4.423 15.571 1.00 2.30 H new ATOM 0 HE3 MET A 51 -9.658 4.598 15.953 1.00 2.30 H new ATOM 743 N ALA A 52 -6.072 1.548 11.245 1.00 1.11 N ATOM 744 CA ALA A 52 -5.477 0.520 10.408 1.00 1.01 C ATOM 745 C ALA A 52 -6.583 -0.377 9.848 1.00 1.00 C ATOM 746 O ALA A 52 -7.611 -0.578 10.492 1.00 1.18 O ATOM 747 CB ALA A 52 -4.445 -0.265 11.219 1.00 1.10 C ATOM 0 H ALA A 52 -5.855 1.467 12.238 1.00 1.11 H new ATOM 0 HA ALA A 52 -4.955 0.968 9.563 1.00 1.01 H new ATOM 0 HB1 ALA A 52 -3.999 -1.036 10.591 1.00 1.10 H new ATOM 0 HB2 ALA A 52 -3.667 0.412 11.570 1.00 1.10 H new ATOM 0 HB3 ALA A 52 -4.933 -0.732 12.075 1.00 1.10 H new ATOM 753 N VAL A 53 -6.334 -0.891 8.652 1.00 0.84 N ATOM 754 CA VAL A 53 -7.296 -1.762 7.997 1.00 0.89 C ATOM 755 C VAL A 53 -6.690 -3.159 7.844 1.00 0.89 C ATOM 756 O VAL A 53 -5.628 -3.317 7.244 1.00 1.32 O ATOM 757 CB VAL A 53 -7.732 -1.150 6.664 1.00 0.89 C ATOM 758 CG1 VAL A 53 -6.828 -1.620 5.523 1.00 0.80 C ATOM 759 CG2 VAL A 53 -9.199 -1.468 6.369 1.00 1.08 C ATOM 0 H VAL A 53 -5.481 -0.721 8.120 1.00 0.84 H new ATOM 0 HA VAL A 53 -8.196 -1.863 8.603 1.00 0.89 H new ATOM 0 HB VAL A 53 -7.634 -0.067 6.744 1.00 0.89 H new ATOM 0 HG11 VAL A 53 -7.160 -1.170 4.587 1.00 0.80 H new ATOM 0 HG12 VAL A 53 -5.800 -1.319 5.726 1.00 0.80 H new ATOM 0 HG13 VAL A 53 -6.879 -2.706 5.442 1.00 0.80 H new ATOM 0 HG21 VAL A 53 -9.484 -1.022 5.416 1.00 1.08 H new ATOM 0 HG22 VAL A 53 -9.334 -2.548 6.318 1.00 1.08 H new ATOM 0 HG23 VAL A 53 -9.826 -1.061 7.162 1.00 1.08 H new ATOM 769 N LYS A 54 -7.393 -4.136 8.396 1.00 0.61 N ATOM 770 CA LYS A 54 -6.939 -5.515 8.329 1.00 0.65 C ATOM 771 C LYS A 54 -6.740 -5.911 6.865 1.00 0.59 C ATOM 772 O LYS A 54 -7.709 -6.146 6.145 1.00 0.72 O ATOM 773 CB LYS A 54 -7.897 -6.433 9.090 1.00 0.74 C ATOM 774 CG LYS A 54 -7.722 -6.277 10.601 1.00 2.06 C ATOM 775 CD LYS A 54 -9.075 -6.300 11.316 1.00 2.37 C ATOM 776 CE LYS A 54 -9.180 -7.503 12.255 1.00 3.02 C ATOM 777 NZ LYS A 54 -10.409 -7.415 13.075 1.00 3.60 N ATOM 0 H LYS A 54 -8.274 -4.001 8.892 1.00 0.61 H new ATOM 0 HA LYS A 54 -5.973 -5.622 8.823 1.00 0.65 H new ATOM 0 HB2 LYS A 54 -8.925 -6.201 8.814 1.00 0.74 H new ATOM 0 HB3 LYS A 54 -7.717 -7.469 8.805 1.00 0.74 H new ATOM 0 HG2 LYS A 54 -7.092 -7.080 10.982 1.00 2.06 H new ATOM 0 HG3 LYS A 54 -7.209 -5.340 10.816 1.00 2.06 H new ATOM 0 HD2 LYS A 54 -9.206 -5.379 11.884 1.00 2.37 H new ATOM 0 HD3 LYS A 54 -9.878 -6.338 10.580 1.00 2.37 H new ATOM 0 HE2 LYS A 54 -9.189 -8.425 11.674 1.00 3.02 H new ATOM 0 HE3 LYS A 54 -8.305 -7.543 12.904 1.00 3.02 H new ATOM 0 HZ1 LYS A 54 -10.465 -8.239 13.707 1.00 3.60 H new ATOM 0 HZ2 LYS A 54 -10.386 -6.544 13.643 1.00 3.60 H new ATOM 0 HZ3 LYS A 54 -11.242 -7.399 12.452 1.00 3.60 H new ATOM 791 N ALA A 55 -5.477 -5.973 6.469 1.00 0.58 N ATOM 792 CA ALA A 55 -5.139 -6.336 5.102 1.00 0.53 C ATOM 793 C ALA A 55 -3.988 -7.344 5.118 1.00 0.55 C ATOM 794 O ALA A 55 -3.374 -7.575 6.158 1.00 0.63 O ATOM 795 CB ALA A 55 -4.799 -5.074 4.307 1.00 0.53 C ATOM 0 H ALA A 55 -4.676 -5.778 7.070 1.00 0.58 H new ATOM 0 HA ALA A 55 -5.987 -6.811 4.610 1.00 0.53 H new ATOM 0 HB1 ALA A 55 -4.546 -5.347 3.282 1.00 0.53 H new ATOM 0 HB2 ALA A 55 -5.659 -4.404 4.302 1.00 0.53 H new ATOM 0 HB3 ALA A 55 -3.950 -4.571 4.769 1.00 0.53 H new ATOM 801 N ALA A 56 -3.729 -7.916 3.951 1.00 0.52 N ATOM 802 CA ALA A 56 -2.661 -8.893 3.817 1.00 0.58 C ATOM 803 C ALA A 56 -1.919 -8.653 2.502 1.00 0.51 C ATOM 804 O ALA A 56 -2.530 -8.299 1.495 1.00 0.49 O ATOM 805 CB ALA A 56 -3.248 -10.304 3.908 1.00 0.71 C ATOM 0 H ALA A 56 -4.240 -7.722 3.090 1.00 0.52 H new ATOM 0 HA ALA A 56 -1.938 -8.787 4.626 1.00 0.58 H new ATOM 0 HB1 ALA A 56 -2.448 -11.038 3.808 1.00 0.71 H new ATOM 0 HB2 ALA A 56 -3.739 -10.432 4.873 1.00 0.71 H new ATOM 0 HB3 ALA A 56 -3.975 -10.448 3.109 1.00 0.71 H new ATOM 811 N VAL A 57 -0.611 -8.856 2.553 1.00 0.56 N ATOM 812 CA VAL A 57 0.222 -8.666 1.378 1.00 0.53 C ATOM 813 C VAL A 57 0.499 -10.024 0.728 1.00 0.57 C ATOM 814 O VAL A 57 0.953 -10.954 1.394 1.00 0.66 O ATOM 815 CB VAL A 57 1.500 -7.915 1.758 1.00 0.59 C ATOM 816 CG1 VAL A 57 2.098 -8.468 3.053 1.00 2.02 C ATOM 817 CG2 VAL A 57 2.522 -7.959 0.619 1.00 1.78 C ATOM 0 H VAL A 57 -0.107 -9.150 3.390 1.00 0.56 H new ATOM 0 HA VAL A 57 -0.294 -8.051 0.641 1.00 0.53 H new ATOM 0 HB VAL A 57 1.236 -6.872 1.931 1.00 0.59 H new ATOM 0 HG11 VAL A 57 3.005 -7.916 3.300 1.00 2.02 H new ATOM 0 HG12 VAL A 57 1.376 -8.360 3.862 1.00 2.02 H new ATOM 0 HG13 VAL A 57 2.339 -9.523 2.921 1.00 2.02 H new ATOM 0 HG21 VAL A 57 3.421 -7.418 0.915 1.00 1.78 H new ATOM 0 HG22 VAL A 57 2.778 -8.996 0.400 1.00 1.78 H new ATOM 0 HG23 VAL A 57 2.096 -7.495 -0.270 1.00 1.78 H new ATOM 827 N SER A 58 0.213 -10.096 -0.563 1.00 0.56 N ATOM 828 CA SER A 58 0.425 -11.325 -1.309 1.00 0.65 C ATOM 829 C SER A 58 0.964 -11.003 -2.705 1.00 0.67 C ATOM 830 O SER A 58 0.466 -10.098 -3.372 1.00 1.06 O ATOM 831 CB SER A 58 -0.869 -12.135 -1.413 1.00 0.87 C ATOM 832 OG SER A 58 -1.619 -12.103 -0.203 1.00 0.99 O ATOM 0 H SER A 58 -0.164 -9.323 -1.112 1.00 0.56 H new ATOM 0 HA SER A 58 1.158 -11.929 -0.774 1.00 0.65 H new ATOM 0 HB2 SER A 58 -1.478 -11.742 -2.227 1.00 0.87 H new ATOM 0 HB3 SER A 58 -0.630 -13.168 -1.664 1.00 0.87 H new ATOM 0 HG SER A 58 -2.438 -12.630 -0.312 1.00 0.99 H new ATOM 838 N GLY A 59 1.973 -11.762 -3.103 1.00 0.64 N ATOM 839 CA GLY A 59 2.586 -11.569 -4.407 1.00 0.61 C ATOM 840 C GLY A 59 1.644 -12.018 -5.526 1.00 0.82 C ATOM 841 O GLY A 59 0.647 -12.692 -5.271 1.00 1.16 O ATOM 0 H GLY A 59 2.382 -12.512 -2.546 1.00 0.64 H new ATOM 0 HA2 GLY A 59 2.841 -10.518 -4.541 1.00 0.61 H new ATOM 0 HA3 GLY A 59 3.517 -12.133 -4.462 1.00 0.61 H new ATOM 885 N LYS A 64 8.650 -10.522 -7.755 1.00 0.84 N ATOM 886 CA LYS A 64 8.975 -9.139 -8.063 1.00 0.77 C ATOM 887 C LYS A 64 7.685 -8.317 -8.113 1.00 0.62 C ATOM 888 O LYS A 64 7.723 -7.091 -8.020 1.00 0.67 O ATOM 889 CB LYS A 64 9.807 -9.057 -9.344 1.00 0.81 C ATOM 890 CG LYS A 64 9.043 -9.640 -10.533 1.00 0.91 C ATOM 891 CD LYS A 64 9.535 -9.037 -11.851 1.00 1.02 C ATOM 892 CE LYS A 64 8.487 -9.199 -12.954 1.00 1.73 C ATOM 893 NZ LYS A 64 8.573 -10.549 -13.555 1.00 2.77 N ATOM 0 HA LYS A 64 9.598 -8.709 -7.279 1.00 0.77 H new ATOM 0 HB2 LYS A 64 10.066 -8.018 -9.548 1.00 0.81 H new ATOM 0 HB3 LYS A 64 10.744 -9.598 -9.209 1.00 0.81 H new ATOM 0 HG2 LYS A 64 9.169 -10.722 -10.555 1.00 0.91 H new ATOM 0 HG3 LYS A 64 7.977 -9.445 -10.416 1.00 0.91 H new ATOM 0 HD2 LYS A 64 9.759 -7.980 -11.710 1.00 1.02 H new ATOM 0 HD3 LYS A 64 10.463 -9.522 -12.153 1.00 1.02 H new ATOM 0 HE2 LYS A 64 7.490 -9.040 -12.543 1.00 1.73 H new ATOM 0 HE3 LYS A 64 8.639 -8.442 -13.723 1.00 1.73 H new ATOM 0 HZ1 LYS A 64 7.855 -10.643 -14.302 1.00 2.77 H new ATOM 0 HZ2 LYS A 64 9.519 -10.687 -13.965 1.00 2.77 H new ATOM 0 HZ3 LYS A 64 8.405 -11.267 -12.821 1.00 2.77 H new ATOM 907 N THR A 65 6.575 -9.025 -8.260 1.00 0.56 N ATOM 908 CA THR A 65 5.277 -8.376 -8.324 1.00 0.49 C ATOM 909 C THR A 65 4.481 -8.648 -7.046 1.00 0.46 C ATOM 910 O THR A 65 4.215 -9.801 -6.710 1.00 0.58 O ATOM 911 CB THR A 65 4.570 -8.856 -9.594 1.00 0.57 C ATOM 912 OG1 THR A 65 5.194 -8.114 -10.639 1.00 0.62 O ATOM 913 CG2 THR A 65 3.105 -8.417 -9.650 1.00 0.64 C ATOM 0 H THR A 65 6.548 -10.042 -8.337 1.00 0.56 H new ATOM 0 HA THR A 65 5.379 -7.292 -8.381 1.00 0.49 H new ATOM 0 HB THR A 65 4.626 -9.943 -9.652 1.00 0.57 H new ATOM 0 HG1 THR A 65 5.194 -7.161 -10.409 1.00 0.62 H new ATOM 0 HG21 THR A 65 2.650 -8.783 -10.570 1.00 0.64 H new ATOM 0 HG22 THR A 65 2.570 -8.826 -8.793 1.00 0.64 H new ATOM 0 HG23 THR A 65 3.050 -7.329 -9.626 1.00 0.64 H new ATOM 921 N MET A 66 4.123 -7.568 -6.368 1.00 0.47 N ATOM 922 CA MET A 66 3.362 -7.676 -5.135 1.00 0.47 C ATOM 923 C MET A 66 1.903 -7.274 -5.354 1.00 0.44 C ATOM 924 O MET A 66 1.583 -6.584 -6.320 1.00 0.47 O ATOM 925 CB MET A 66 3.987 -6.773 -4.069 1.00 0.51 C ATOM 926 CG MET A 66 4.228 -7.545 -2.770 1.00 0.67 C ATOM 927 SD MET A 66 5.963 -7.930 -2.602 1.00 1.23 S ATOM 928 CE MET A 66 6.211 -8.895 -4.084 1.00 1.49 C ATOM 0 H MET A 66 4.346 -6.613 -6.649 1.00 0.47 H new ATOM 0 HA MET A 66 3.387 -8.714 -4.804 1.00 0.47 H new ATOM 0 HB2 MET A 66 4.930 -6.369 -4.437 1.00 0.51 H new ATOM 0 HB3 MET A 66 3.331 -5.924 -3.876 1.00 0.51 H new ATOM 0 HG2 MET A 66 3.894 -6.953 -1.918 1.00 0.67 H new ATOM 0 HG3 MET A 66 3.641 -8.464 -2.769 1.00 0.67 H new ATOM 0 HE1 MET A 66 7.128 -9.477 -3.990 1.00 1.49 H new ATOM 0 HE2 MET A 66 5.366 -9.569 -4.225 1.00 1.49 H new ATOM 0 HE3 MET A 66 6.291 -8.229 -4.943 1.00 1.49 H new ATOM 938 N VAL A 67 1.056 -7.723 -4.439 1.00 0.45 N ATOM 939 CA VAL A 67 -0.363 -7.418 -4.520 1.00 0.45 C ATOM 940 C VAL A 67 -0.949 -7.363 -3.108 1.00 0.45 C ATOM 941 O VAL A 67 -0.901 -8.349 -2.373 1.00 0.54 O ATOM 942 CB VAL A 67 -1.066 -8.436 -5.420 1.00 0.51 C ATOM 943 CG1 VAL A 67 -2.587 -8.298 -5.319 1.00 1.82 C ATOM 944 CG2 VAL A 67 -0.599 -8.299 -6.871 1.00 1.40 C ATOM 0 H VAL A 67 1.325 -8.295 -3.638 1.00 0.45 H new ATOM 0 HA VAL A 67 -0.519 -6.440 -4.975 1.00 0.45 H new ATOM 0 HB VAL A 67 -0.796 -9.433 -5.073 1.00 0.51 H new ATOM 0 HG11 VAL A 67 -3.063 -9.033 -5.968 1.00 1.82 H new ATOM 0 HG12 VAL A 67 -2.900 -8.467 -4.289 1.00 1.82 H new ATOM 0 HG13 VAL A 67 -2.883 -7.295 -5.628 1.00 1.82 H new ATOM 0 HG21 VAL A 67 -1.114 -9.034 -7.490 1.00 1.40 H new ATOM 0 HG22 VAL A 67 -0.826 -7.296 -7.233 1.00 1.40 H new ATOM 0 HG23 VAL A 67 0.476 -8.469 -6.925 1.00 1.40 H new ATOM 954 N ILE A 68 -1.492 -6.202 -2.771 1.00 0.40 N ATOM 955 CA ILE A 68 -2.086 -6.006 -1.459 1.00 0.41 C ATOM 956 C ILE A 68 -3.589 -6.283 -1.540 1.00 0.42 C ATOM 957 O ILE A 68 -4.306 -5.623 -2.289 1.00 0.46 O ATOM 958 CB ILE A 68 -1.745 -4.616 -0.919 1.00 0.43 C ATOM 959 CG1 ILE A 68 -0.575 -4.682 0.064 1.00 0.49 C ATOM 960 CG2 ILE A 68 -2.977 -3.951 -0.300 1.00 0.47 C ATOM 961 CD1 ILE A 68 0.764 -4.678 -0.677 1.00 0.53 C ATOM 0 H ILE A 68 -1.533 -5.388 -3.384 1.00 0.40 H new ATOM 0 HA ILE A 68 -1.669 -6.712 -0.741 1.00 0.41 H new ATOM 0 HB ILE A 68 -1.428 -3.993 -1.755 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -0.620 -3.833 0.746 1.00 0.49 H new ATOM 0 HG13 ILE A 68 -0.656 -5.583 0.671 1.00 0.49 H new ATOM 0 HG21 ILE A 68 -2.707 -2.964 0.076 1.00 0.47 H new ATOM 0 HG22 ILE A 68 -3.755 -3.851 -1.057 1.00 0.47 H new ATOM 0 HG23 ILE A 68 -3.347 -4.564 0.522 1.00 0.47 H new ATOM 0 HD11 ILE A 68 1.579 -4.726 0.045 1.00 0.53 H new ATOM 0 HD12 ILE A 68 0.815 -5.542 -1.340 1.00 0.53 H new ATOM 0 HD13 ILE A 68 0.852 -3.764 -1.264 1.00 0.53 H new ATOM 973 N THR A 69 -4.020 -7.262 -0.756 1.00 0.43 N ATOM 974 CA THR A 69 -5.424 -7.634 -0.730 1.00 0.46 C ATOM 975 C THR A 69 -5.984 -7.503 0.688 1.00 0.47 C ATOM 976 O THR A 69 -5.623 -8.274 1.576 1.00 0.61 O ATOM 977 CB THR A 69 -5.550 -9.047 -1.304 1.00 0.57 C ATOM 978 OG1 THR A 69 -6.000 -8.839 -2.640 1.00 0.62 O ATOM 979 CG2 THR A 69 -6.678 -9.846 -0.651 1.00 0.55 C ATOM 0 H THR A 69 -3.422 -7.808 -0.135 1.00 0.43 H new ATOM 0 HA THR A 69 -6.022 -6.963 -1.346 1.00 0.46 H new ATOM 0 HB THR A 69 -4.607 -9.578 -1.173 1.00 0.57 H new ATOM 0 HG1 THR A 69 -6.107 -9.704 -3.088 1.00 0.62 H new ATOM 0 HG21 THR A 69 -6.724 -10.840 -1.095 1.00 0.55 H new ATOM 0 HG22 THR A 69 -6.489 -9.934 0.419 1.00 0.55 H new ATOM 0 HG23 THR A 69 -7.627 -9.334 -0.811 1.00 0.55 H new ATOM 987 N PRO A 70 -6.880 -6.494 0.862 1.00 0.40 N ATOM 988 CA PRO A 70 -7.492 -6.252 2.156 1.00 0.47 C ATOM 989 C PRO A 70 -8.563 -7.303 2.461 1.00 0.51 C ATOM 990 O PRO A 70 -9.377 -7.632 1.600 1.00 0.51 O ATOM 991 CB PRO A 70 -8.051 -4.842 2.069 1.00 0.49 C ATOM 992 CG PRO A 70 -8.143 -4.520 0.587 1.00 0.46 C ATOM 993 CD PRO A 70 -7.331 -5.561 -0.167 1.00 0.38 C ATOM 0 HA PRO A 70 -6.782 -6.334 2.979 1.00 0.47 H new ATOM 0 HB2 PRO A 70 -9.030 -4.780 2.543 1.00 0.49 H new ATOM 0 HB3 PRO A 70 -7.403 -4.133 2.583 1.00 0.49 H new ATOM 0 HG2 PRO A 70 -9.182 -4.534 0.257 1.00 0.46 H new ATOM 0 HG3 PRO A 70 -7.759 -3.519 0.389 1.00 0.46 H new ATOM 0 HD2 PRO A 70 -7.935 -6.065 -0.921 1.00 0.38 H new ATOM 0 HD3 PRO A 70 -6.488 -5.106 -0.686 1.00 0.38 H new ATOM 1001 N ALA A 71 -8.528 -7.798 3.689 1.00 0.64 N ATOM 1002 CA ALA A 71 -9.485 -8.803 4.119 1.00 0.74 C ATOM 1003 C ALA A 71 -10.861 -8.155 4.282 1.00 0.72 C ATOM 1004 O ALA A 71 -11.884 -8.834 4.211 1.00 0.87 O ATOM 1005 CB ALA A 71 -8.992 -9.460 5.410 1.00 0.88 C ATOM 0 H ALA A 71 -7.851 -7.522 4.401 1.00 0.64 H new ATOM 0 HA ALA A 71 -9.578 -9.589 3.369 1.00 0.74 H new ATOM 0 HB1 ALA A 71 -9.710 -10.214 5.732 1.00 0.88 H new ATOM 0 HB2 ALA A 71 -8.026 -9.932 5.232 1.00 0.88 H new ATOM 0 HB3 ALA A 71 -8.888 -8.703 6.187 1.00 0.88 H new ATOM 1011 N SER A 72 -10.842 -6.848 4.497 1.00 0.66 N ATOM 1012 CA SER A 72 -12.075 -6.100 4.672 1.00 0.68 C ATOM 1013 C SER A 72 -12.297 -5.171 3.476 1.00 0.62 C ATOM 1014 O SER A 72 -11.338 -4.683 2.878 1.00 0.59 O ATOM 1015 CB SER A 72 -12.052 -5.295 5.972 1.00 0.73 C ATOM 1016 OG SER A 72 -13.072 -5.711 6.876 1.00 0.79 O ATOM 0 H SER A 72 -9.992 -6.288 4.554 1.00 0.66 H new ATOM 0 HA SER A 72 -12.900 -6.810 4.731 1.00 0.68 H new ATOM 0 HB2 SER A 72 -11.078 -5.405 6.449 1.00 0.73 H new ATOM 0 HB3 SER A 72 -12.178 -4.236 5.745 1.00 0.73 H new ATOM 0 HG SER A 72 -13.023 -5.174 7.694 1.00 0.79 H new ATOM 1022 N PRO A 73 -13.600 -4.947 3.156 1.00 0.63 N ATOM 1023 CA PRO A 73 -13.959 -4.085 2.042 1.00 0.61 C ATOM 1024 C PRO A 73 -13.759 -2.611 2.404 1.00 0.56 C ATOM 1025 O PRO A 73 -14.251 -2.149 3.432 1.00 0.62 O ATOM 1026 CB PRO A 73 -15.406 -4.429 1.730 1.00 0.69 C ATOM 1027 CG PRO A 73 -15.944 -5.130 2.968 1.00 0.73 C ATOM 1028 CD PRO A 73 -14.760 -5.508 3.841 1.00 0.70 C ATOM 0 HA PRO A 73 -13.329 -4.242 1.167 1.00 0.61 H new ATOM 0 HB2 PRO A 73 -15.982 -3.531 1.509 1.00 0.69 H new ATOM 0 HB3 PRO A 73 -15.474 -5.075 0.855 1.00 0.69 H new ATOM 0 HG2 PRO A 73 -16.625 -4.475 3.511 1.00 0.73 H new ATOM 0 HG3 PRO A 73 -16.511 -6.018 2.688 1.00 0.73 H new ATOM 0 HD2 PRO A 73 -14.863 -5.099 4.846 1.00 0.70 H new ATOM 0 HD3 PRO A 73 -14.674 -6.590 3.945 1.00 0.70 H new ATOM 1036 N LEU A 74 -13.038 -1.916 1.537 1.00 0.53 N ATOM 1037 CA LEU A 74 -12.767 -0.505 1.751 1.00 0.52 C ATOM 1038 C LEU A 74 -14.011 0.310 1.391 1.00 0.55 C ATOM 1039 O LEU A 74 -14.429 0.331 0.234 1.00 0.64 O ATOM 1040 CB LEU A 74 -11.510 -0.078 0.989 1.00 0.57 C ATOM 1041 CG LEU A 74 -10.233 -0.854 1.315 1.00 0.61 C ATOM 1042 CD1 LEU A 74 -9.169 -0.636 0.238 1.00 0.71 C ATOM 1043 CD2 LEU A 74 -9.716 -0.499 2.711 1.00 0.63 C ATOM 0 H LEU A 74 -12.633 -2.304 0.685 1.00 0.53 H new ATOM 0 HA LEU A 74 -12.554 -0.314 2.803 1.00 0.52 H new ATOM 0 HB2 LEU A 74 -11.707 -0.173 -0.079 1.00 0.57 H new ATOM 0 HB3 LEU A 74 -11.330 0.979 1.187 1.00 0.57 H new ATOM 0 HG LEU A 74 -10.472 -1.917 1.321 1.00 0.61 H new ATOM 0 HD11 LEU A 74 -8.271 -1.199 0.494 1.00 0.71 H new ATOM 0 HD12 LEU A 74 -9.550 -0.978 -0.724 1.00 0.71 H new ATOM 0 HD13 LEU A 74 -8.927 0.425 0.175 1.00 0.71 H new ATOM 0 HD21 LEU A 74 -8.807 -1.065 2.917 1.00 0.63 H new ATOM 0 HD22 LEU A 74 -9.498 0.568 2.758 1.00 0.63 H new ATOM 0 HD23 LEU A 74 -10.474 -0.747 3.454 1.00 0.63 H new ATOM 1055 N THR A 75 -14.569 0.958 2.402 1.00 0.57 N ATOM 1056 CA THR A 75 -15.757 1.772 2.205 1.00 0.66 C ATOM 1057 C THR A 75 -15.367 3.214 1.876 1.00 0.65 C ATOM 1058 O THR A 75 -14.190 3.569 1.924 1.00 0.64 O ATOM 1059 CB THR A 75 -16.626 1.649 3.459 1.00 0.78 C ATOM 1060 OG1 THR A 75 -15.781 2.101 4.513 1.00 0.74 O ATOM 1061 CG2 THR A 75 -16.929 0.193 3.821 1.00 0.85 C ATOM 0 H THR A 75 -14.221 0.936 3.361 1.00 0.57 H new ATOM 0 HA THR A 75 -16.339 1.423 1.352 1.00 0.66 H new ATOM 0 HB THR A 75 -17.562 2.187 3.306 1.00 0.78 H new ATOM 0 HG1 THR A 75 -14.969 2.498 4.134 1.00 0.74 H new ATOM 0 HG21 THR A 75 -17.548 0.162 4.718 1.00 0.85 H new ATOM 0 HG22 THR A 75 -17.460 -0.284 2.997 1.00 0.85 H new ATOM 0 HG23 THR A 75 -15.995 -0.338 4.007 1.00 0.85 H new ATOM 1069 N ALA A 76 -16.377 4.006 1.548 1.00 0.69 N ATOM 1070 CA ALA A 76 -16.155 5.402 1.211 1.00 0.70 C ATOM 1071 C ALA A 76 -15.232 6.034 2.254 1.00 0.69 C ATOM 1072 O ALA A 76 -15.038 5.479 3.334 1.00 0.76 O ATOM 1073 CB ALA A 76 -17.501 6.123 1.108 1.00 0.76 C ATOM 0 H ALA A 76 -17.352 3.708 1.508 1.00 0.69 H new ATOM 0 HA ALA A 76 -15.664 5.489 0.242 1.00 0.70 H new ATOM 0 HB1 ALA A 76 -17.334 7.170 0.855 1.00 0.76 H new ATOM 0 HB2 ALA A 76 -18.106 5.654 0.332 1.00 0.76 H new ATOM 0 HB3 ALA A 76 -18.022 6.059 2.063 1.00 0.76 H new ATOM 1079 N GLY A 77 -14.688 7.187 1.895 1.00 0.68 N ATOM 1080 CA GLY A 77 -13.791 7.902 2.788 1.00 0.68 C ATOM 1081 C GLY A 77 -12.405 8.059 2.160 1.00 0.60 C ATOM 1082 O GLY A 77 -12.268 8.051 0.938 1.00 0.60 O ATOM 0 H GLY A 77 -14.851 7.644 0.998 1.00 0.68 H new ATOM 0 HA2 GLY A 77 -14.205 8.884 3.015 1.00 0.68 H new ATOM 0 HA3 GLY A 77 -13.708 7.365 3.733 1.00 0.68 H new ATOM 1086 N THR A 78 -11.411 8.198 3.026 1.00 0.60 N ATOM 1087 CA THR A 78 -10.039 8.356 2.572 1.00 0.54 C ATOM 1088 C THR A 78 -9.128 7.342 3.265 1.00 0.49 C ATOM 1089 O THR A 78 -9.318 7.032 4.440 1.00 0.53 O ATOM 1090 CB THR A 78 -9.627 9.810 2.814 1.00 0.57 C ATOM 1091 OG1 THR A 78 -10.587 10.570 2.085 1.00 0.66 O ATOM 1092 CG2 THR A 78 -8.293 10.157 2.150 1.00 0.75 C ATOM 0 H THR A 78 -11.528 8.204 4.039 1.00 0.60 H new ATOM 0 HA THR A 78 -9.948 8.150 1.505 1.00 0.54 H new ATOM 0 HB THR A 78 -9.558 9.994 3.886 1.00 0.57 H new ATOM 0 HG1 THR A 78 -10.606 11.488 2.427 1.00 0.66 H new ATOM 0 HG21 THR A 78 -8.046 11.199 2.352 1.00 0.75 H new ATOM 0 HG22 THR A 78 -7.509 9.514 2.551 1.00 0.75 H new ATOM 0 HG23 THR A 78 -8.372 10.005 1.074 1.00 0.75 H new ATOM 1100 N TYR A 79 -8.157 6.853 2.508 1.00 0.48 N ATOM 1101 CA TYR A 79 -7.215 5.880 3.034 1.00 0.46 C ATOM 1102 C TYR A 79 -5.814 6.111 2.466 1.00 0.41 C ATOM 1103 O TYR A 79 -5.662 6.701 1.397 1.00 0.46 O ATOM 1104 CB TYR A 79 -7.721 4.511 2.574 1.00 0.56 C ATOM 1105 CG TYR A 79 -9.165 4.213 2.980 1.00 0.58 C ATOM 1106 CD1 TYR A 79 -10.201 4.937 2.428 1.00 2.00 C ATOM 1107 CD2 TYR A 79 -9.432 3.218 3.899 1.00 1.44 C ATOM 1108 CE1 TYR A 79 -11.561 4.656 2.810 1.00 2.03 C ATOM 1109 CE2 TYR A 79 -10.791 2.937 4.281 1.00 1.45 C ATOM 1110 CZ TYR A 79 -11.789 3.670 3.718 1.00 0.68 C ATOM 1111 OH TYR A 79 -13.073 3.404 4.080 1.00 0.75 O ATOM 0 H TYR A 79 -8.002 7.113 1.534 1.00 0.48 H new ATOM 0 HA TYR A 79 -7.149 5.957 4.119 1.00 0.46 H new ATOM 0 HB2 TYR A 79 -7.640 4.451 1.489 1.00 0.56 H new ATOM 0 HB3 TYR A 79 -7.072 3.738 2.985 1.00 0.56 H new ATOM 0 HD1 TYR A 79 -9.992 5.715 1.709 1.00 2.00 H new ATOM 0 HD2 TYR A 79 -8.621 2.650 4.331 1.00 1.44 H new ATOM 0 HE1 TYR A 79 -12.381 5.216 2.385 1.00 2.03 H new ATOM 0 HE2 TYR A 79 -11.013 2.161 4.999 1.00 1.45 H new ATOM 0 HH TYR A 79 -13.686 3.913 3.509 1.00 0.75 H new ATOM 1121 N LYS A 80 -4.824 5.631 3.205 1.00 0.40 N ATOM 1122 CA LYS A 80 -3.440 5.777 2.788 1.00 0.40 C ATOM 1123 C LYS A 80 -2.730 4.427 2.907 1.00 0.38 C ATOM 1124 O LYS A 80 -2.609 3.880 4.001 1.00 0.42 O ATOM 1125 CB LYS A 80 -2.760 6.900 3.572 1.00 0.45 C ATOM 1126 CG LYS A 80 -2.212 7.974 2.630 1.00 1.45 C ATOM 1127 CD LYS A 80 -2.564 9.376 3.131 1.00 3.07 C ATOM 1128 CE LYS A 80 -1.336 10.288 3.118 1.00 2.96 C ATOM 1129 NZ LYS A 80 -0.310 9.791 4.062 1.00 2.36 N ATOM 0 H LYS A 80 -4.953 5.141 4.090 1.00 0.40 H new ATOM 0 HA LYS A 80 -3.388 6.074 1.740 1.00 0.40 H new ATOM 0 HB2 LYS A 80 -3.473 7.348 4.264 1.00 0.45 H new ATOM 0 HB3 LYS A 80 -1.948 6.489 4.172 1.00 0.45 H new ATOM 0 HG2 LYS A 80 -1.130 7.874 2.550 1.00 1.45 H new ATOM 0 HG3 LYS A 80 -2.621 7.828 1.630 1.00 1.45 H new ATOM 0 HD2 LYS A 80 -3.346 9.804 2.504 1.00 3.07 H new ATOM 0 HD3 LYS A 80 -2.965 9.314 4.143 1.00 3.07 H new ATOM 0 HE2 LYS A 80 -0.920 10.334 2.111 1.00 2.96 H new ATOM 0 HE3 LYS A 80 -1.627 11.303 3.389 1.00 2.96 H new ATOM 0 HZ1 LYS A 80 0.240 10.593 4.430 1.00 2.36 H new ATOM 0 HZ2 LYS A 80 -0.774 9.298 4.851 1.00 2.36 H new ATOM 0 HZ3 LYS A 80 0.326 9.132 3.569 1.00 2.36 H new ATOM 1143 N VAL A 81 -2.280 3.928 1.765 1.00 0.38 N ATOM 1144 CA VAL A 81 -1.585 2.652 1.727 1.00 0.37 C ATOM 1145 C VAL A 81 -0.075 2.899 1.731 1.00 0.40 C ATOM 1146 O VAL A 81 0.506 3.228 0.699 1.00 0.56 O ATOM 1147 CB VAL A 81 -2.056 1.837 0.521 1.00 0.37 C ATOM 1148 CG1 VAL A 81 -1.379 0.464 0.490 1.00 0.46 C ATOM 1149 CG2 VAL A 81 -3.579 1.697 0.513 1.00 0.46 C ATOM 0 H VAL A 81 -2.383 4.384 0.859 1.00 0.38 H new ATOM 0 HA VAL A 81 -1.819 2.061 2.613 1.00 0.37 H new ATOM 0 HB VAL A 81 -1.765 2.376 -0.381 1.00 0.37 H new ATOM 0 HG11 VAL A 81 -1.731 -0.096 -0.377 1.00 0.46 H new ATOM 0 HG12 VAL A 81 -0.299 0.592 0.425 1.00 0.46 H new ATOM 0 HG13 VAL A 81 -1.625 -0.084 1.400 1.00 0.46 H new ATOM 0 HG21 VAL A 81 -3.886 1.113 -0.355 1.00 0.46 H new ATOM 0 HG22 VAL A 81 -3.903 1.192 1.423 1.00 0.46 H new ATOM 0 HG23 VAL A 81 -4.035 2.686 0.465 1.00 0.46 H new ATOM 1159 N ASP A 82 0.516 2.728 2.904 1.00 0.44 N ATOM 1160 CA ASP A 82 1.948 2.927 3.057 1.00 0.46 C ATOM 1161 C ASP A 82 2.675 1.617 2.749 1.00 0.44 C ATOM 1162 O ASP A 82 2.362 0.578 3.329 1.00 0.52 O ATOM 1163 CB ASP A 82 2.297 3.339 4.488 1.00 0.56 C ATOM 1164 CG ASP A 82 1.453 4.482 5.057 1.00 0.68 C ATOM 1165 OD1 ASP A 82 0.842 5.257 4.308 1.00 1.69 O ATOM 1166 OD2 ASP A 82 1.439 4.559 6.345 1.00 1.25 O ATOM 0 H ASP A 82 0.030 2.454 3.758 1.00 0.44 H new ATOM 0 HA ASP A 82 2.255 3.717 2.371 1.00 0.46 H new ATOM 0 HB2 ASP A 82 2.189 2.470 5.137 1.00 0.56 H new ATOM 0 HB3 ASP A 82 3.346 3.632 4.520 1.00 0.56 H new ATOM 1171 N TRP A 83 3.634 1.709 1.839 1.00 0.42 N ATOM 1172 CA TRP A 83 4.410 0.544 1.449 1.00 0.42 C ATOM 1173 C TRP A 83 5.889 0.863 1.672 1.00 0.48 C ATOM 1174 O TRP A 83 6.276 2.030 1.706 1.00 0.49 O ATOM 1175 CB TRP A 83 4.096 0.135 0.008 1.00 0.38 C ATOM 1176 CG TRP A 83 4.219 1.277 -1.003 1.00 0.35 C ATOM 1177 CD1 TRP A 83 3.235 1.919 -1.645 1.00 0.39 C ATOM 1178 CD2 TRP A 83 5.443 1.889 -1.464 1.00 0.37 C ATOM 1179 NE1 TRP A 83 3.731 2.896 -2.485 1.00 0.44 N ATOM 1180 CE2 TRP A 83 5.116 2.878 -2.370 1.00 0.40 C ATOM 1181 CE3 TRP A 83 6.780 1.616 -1.127 1.00 0.42 C ATOM 1182 CZ2 TRP A 83 6.072 3.673 -3.014 1.00 0.47 C ATOM 1183 CZ3 TRP A 83 7.722 2.420 -1.779 1.00 0.48 C ATOM 1184 CH2 TRP A 83 7.411 3.419 -2.694 1.00 0.49 C ATOM 0 H TRP A 83 3.891 2.572 1.361 1.00 0.42 H new ATOM 0 HA TRP A 83 4.146 -0.318 2.061 1.00 0.42 H new ATOM 0 HB2 TRP A 83 4.769 -0.670 -0.285 1.00 0.38 H new ATOM 0 HB3 TRP A 83 3.083 -0.265 -0.033 1.00 0.38 H new ATOM 0 HD1 TRP A 83 2.185 1.700 -1.521 1.00 0.39 H new ATOM 0 HE1 TRP A 83 3.182 3.517 -3.080 1.00 0.44 H new ATOM 0 HE3 TRP A 83 7.058 0.847 -0.421 1.00 0.42 H new ATOM 0 HZ2 TRP A 83 5.791 4.441 -3.720 1.00 0.47 H new ATOM 0 HZ3 TRP A 83 8.765 2.252 -1.555 1.00 0.48 H new ATOM 0 HH2 TRP A 83 8.198 3.996 -3.156 1.00 0.49 H new ATOM 1195 N ARG A 84 6.674 -0.193 1.819 1.00 0.56 N ATOM 1196 CA ARG A 84 8.102 -0.039 2.037 1.00 0.64 C ATOM 1197 C ARG A 84 8.867 -1.189 1.379 1.00 0.64 C ATOM 1198 O ARG A 84 8.572 -2.357 1.625 1.00 0.68 O ATOM 1199 CB ARG A 84 8.430 -0.009 3.532 1.00 0.78 C ATOM 1200 CG ARG A 84 8.655 1.426 4.015 1.00 1.13 C ATOM 1201 CD ARG A 84 8.367 1.553 5.512 1.00 1.56 C ATOM 1202 NE ARG A 84 6.927 1.327 5.771 1.00 1.58 N ATOM 1203 CZ ARG A 84 6.401 0.138 6.134 1.00 2.56 C ATOM 1204 NH1 ARG A 84 7.193 -0.945 6.284 1.00 3.08 N ATOM 1205 NH2 ARG A 84 5.100 0.051 6.341 1.00 3.96 N ATOM 0 H ARG A 84 6.348 -1.159 1.791 1.00 0.56 H new ATOM 0 HA ARG A 84 8.405 0.907 1.589 1.00 0.64 H new ATOM 0 HB2 ARG A 84 7.615 -0.463 4.096 1.00 0.78 H new ATOM 0 HB3 ARG A 84 9.322 -0.605 3.724 1.00 0.78 H new ATOM 0 HG2 ARG A 84 9.684 1.724 3.813 1.00 1.13 H new ATOM 0 HG3 ARG A 84 8.010 2.106 3.458 1.00 1.13 H new ATOM 0 HD2 ARG A 84 8.963 0.829 6.068 1.00 1.56 H new ATOM 0 HD3 ARG A 84 8.657 2.543 5.864 1.00 1.56 H new ATOM 0 HE ARG A 84 6.293 2.119 5.669 1.00 1.58 H new ATOM 0 HH11 ARG A 84 8.197 -0.869 6.123 1.00 3.08 H new ATOM 0 HH12 ARG A 84 6.787 -1.840 6.559 1.00 3.08 H new ATOM 0 HH21 ARG A 84 4.509 0.874 6.226 1.00 3.96 H new ATOM 0 HH22 ARG A 84 4.686 -0.840 6.616 1.00 3.96 H new ATOM 1324 N ILE A 93 13.217 1.927 1.253 1.00 0.75 N ATOM 1325 CA ILE A 93 12.427 2.650 0.270 1.00 0.84 C ATOM 1326 C ILE A 93 10.999 2.816 0.791 1.00 0.78 C ATOM 1327 O ILE A 93 10.177 1.912 0.658 1.00 1.03 O ATOM 1328 CB ILE A 93 12.509 1.960 -1.093 1.00 0.97 C ATOM 1329 CG1 ILE A 93 13.963 1.803 -1.543 1.00 1.50 C ATOM 1330 CG2 ILE A 93 11.664 2.700 -2.133 1.00 1.54 C ATOM 1331 CD1 ILE A 93 14.280 0.342 -1.870 1.00 2.92 C ATOM 0 HA ILE A 93 12.829 3.652 0.120 1.00 0.84 H new ATOM 0 HB ILE A 93 12.094 0.957 -0.993 1.00 0.97 H new ATOM 0 HG12 ILE A 93 14.145 2.424 -2.420 1.00 1.50 H new ATOM 0 HG13 ILE A 93 14.631 2.157 -0.758 1.00 1.50 H new ATOM 0 HG21 ILE A 93 11.739 2.189 -3.093 1.00 1.54 H new ATOM 0 HG22 ILE A 93 10.623 2.716 -1.811 1.00 1.54 H new ATOM 0 HG23 ILE A 93 12.027 3.722 -2.236 1.00 1.54 H new ATOM 0 HD11 ILE A 93 15.319 0.257 -2.187 1.00 2.92 H new ATOM 0 HD12 ILE A 93 14.120 -0.272 -0.984 1.00 2.92 H new ATOM 0 HD13 ILE A 93 13.627 -0.001 -2.672 1.00 2.92 H new ATOM 1343 N THR A 94 10.747 3.979 1.374 1.00 0.68 N ATOM 1344 CA THR A 94 9.432 4.276 1.916 1.00 0.72 C ATOM 1345 C THR A 94 8.540 4.900 0.840 1.00 0.66 C ATOM 1346 O THR A 94 9.035 5.536 -0.089 1.00 0.82 O ATOM 1347 CB THR A 94 9.617 5.167 3.145 1.00 1.03 C ATOM 1348 OG1 THR A 94 10.227 6.347 2.629 1.00 1.19 O ATOM 1349 CG2 THR A 94 10.653 4.609 4.122 1.00 1.23 C ATOM 0 H THR A 94 11.432 4.727 1.483 1.00 0.68 H new ATOM 0 HA THR A 94 8.919 3.367 2.231 1.00 0.72 H new ATOM 0 HB THR A 94 8.661 5.283 3.656 1.00 1.03 H new ATOM 0 HG1 THR A 94 10.382 6.982 3.360 1.00 1.19 H new ATOM 0 HG21 THR A 94 10.746 5.280 4.976 1.00 1.23 H new ATOM 0 HG22 THR A 94 10.335 3.625 4.466 1.00 1.23 H new ATOM 0 HG23 THR A 94 11.617 4.525 3.621 1.00 1.23 H new ATOM 1357 N GLY A 95 7.241 4.697 1.003 1.00 0.59 N ATOM 1358 CA GLY A 95 6.276 5.232 0.058 1.00 0.53 C ATOM 1359 C GLY A 95 4.844 4.921 0.500 1.00 0.49 C ATOM 1360 O GLY A 95 4.622 4.013 1.300 1.00 0.53 O ATOM 0 H GLY A 95 6.834 4.169 1.775 1.00 0.59 H new ATOM 0 HA2 GLY A 95 6.407 6.311 -0.030 1.00 0.53 H new ATOM 0 HA3 GLY A 95 6.456 4.808 -0.930 1.00 0.53 H new ATOM 1364 N SER A 96 3.912 5.691 -0.040 1.00 0.52 N ATOM 1365 CA SER A 96 2.508 5.509 0.289 1.00 0.59 C ATOM 1366 C SER A 96 1.636 5.906 -0.903 1.00 0.57 C ATOM 1367 O SER A 96 2.058 6.689 -1.752 1.00 0.60 O ATOM 1368 CB SER A 96 2.122 6.324 1.525 1.00 0.69 C ATOM 1369 OG SER A 96 3.265 6.790 2.237 1.00 0.79 O ATOM 0 H SER A 96 4.101 6.443 -0.703 1.00 0.52 H new ATOM 0 HA SER A 96 2.343 4.456 0.516 1.00 0.59 H new ATOM 0 HB2 SER A 96 1.512 7.175 1.222 1.00 0.69 H new ATOM 0 HB3 SER A 96 1.508 5.712 2.186 1.00 0.69 H new ATOM 0 HG SER A 96 2.976 7.307 3.018 1.00 0.79 H new ATOM 1375 N VAL A 97 0.435 5.348 -0.928 1.00 0.56 N ATOM 1376 CA VAL A 97 -0.501 5.634 -2.002 1.00 0.55 C ATOM 1377 C VAL A 97 -1.867 5.976 -1.406 1.00 0.54 C ATOM 1378 O VAL A 97 -2.603 5.088 -0.978 1.00 0.56 O ATOM 1379 CB VAL A 97 -0.554 4.455 -2.978 1.00 0.54 C ATOM 1380 CG1 VAL A 97 -1.524 4.738 -4.126 1.00 0.60 C ATOM 1381 CG2 VAL A 97 0.841 4.120 -3.508 1.00 0.66 C ATOM 0 H VAL A 97 0.088 4.699 -0.222 1.00 0.56 H new ATOM 0 HA VAL A 97 -0.170 6.500 -2.575 1.00 0.55 H new ATOM 0 HB VAL A 97 -0.923 3.585 -2.434 1.00 0.54 H new ATOM 0 HG11 VAL A 97 -1.543 3.885 -4.805 1.00 0.60 H new ATOM 0 HG12 VAL A 97 -2.524 4.905 -3.725 1.00 0.60 H new ATOM 0 HG13 VAL A 97 -1.198 5.626 -4.668 1.00 0.60 H new ATOM 0 HG21 VAL A 97 0.776 3.279 -4.199 1.00 0.66 H new ATOM 0 HG22 VAL A 97 1.250 4.986 -4.028 1.00 0.66 H new ATOM 0 HG23 VAL A 97 1.493 3.855 -2.675 1.00 0.66 H new ATOM 1391 N THR A 98 -2.166 7.267 -1.395 1.00 0.52 N ATOM 1392 CA THR A 98 -3.431 7.739 -0.857 1.00 0.52 C ATOM 1393 C THR A 98 -4.519 7.686 -1.930 1.00 0.50 C ATOM 1394 O THR A 98 -4.258 7.968 -3.098 1.00 0.52 O ATOM 1395 CB THR A 98 -3.208 9.141 -0.286 1.00 0.56 C ATOM 1396 OG1 THR A 98 -4.324 9.347 0.576 1.00 0.56 O ATOM 1397 CG2 THR A 98 -3.349 10.234 -1.347 1.00 0.55 C ATOM 0 H THR A 98 -1.554 8.001 -1.750 1.00 0.52 H new ATOM 0 HA THR A 98 -3.783 7.096 -0.050 1.00 0.52 H new ATOM 0 HB THR A 98 -2.216 9.197 0.163 1.00 0.56 H new ATOM 0 HG1 THR A 98 -4.787 8.495 0.721 1.00 0.56 H new ATOM 0 HG21 THR A 98 -3.181 11.209 -0.889 1.00 0.55 H new ATOM 0 HG22 THR A 98 -2.614 10.072 -2.136 1.00 0.55 H new ATOM 0 HG23 THR A 98 -4.352 10.201 -1.773 1.00 0.55 H new ATOM 1405 N PHE A 99 -5.717 7.322 -1.494 1.00 0.47 N ATOM 1406 CA PHE A 99 -6.846 7.229 -2.404 1.00 0.46 C ATOM 1407 C PHE A 99 -8.165 7.477 -1.668 1.00 0.46 C ATOM 1408 O PHE A 99 -8.260 7.243 -0.464 1.00 0.45 O ATOM 1409 CB PHE A 99 -6.850 5.806 -2.967 1.00 0.44 C ATOM 1410 CG PHE A 99 -7.254 4.736 -1.951 1.00 0.42 C ATOM 1411 CD1 PHE A 99 -8.540 4.662 -1.516 1.00 1.74 C ATOM 1412 CD2 PHE A 99 -6.326 3.858 -1.484 1.00 1.78 C ATOM 1413 CE1 PHE A 99 -8.914 3.668 -0.572 1.00 1.74 C ATOM 1414 CE2 PHE A 99 -6.699 2.865 -0.540 1.00 1.79 C ATOM 1415 CZ PHE A 99 -7.986 2.791 -0.105 1.00 0.41 C ATOM 0 H PHE A 99 -5.930 7.088 -0.524 1.00 0.47 H new ATOM 0 HA PHE A 99 -6.753 7.978 -3.191 1.00 0.46 H new ATOM 0 HB2 PHE A 99 -7.534 5.764 -3.815 1.00 0.44 H new ATOM 0 HB3 PHE A 99 -5.855 5.574 -3.347 1.00 0.44 H new ATOM 0 HD1 PHE A 99 -9.277 5.358 -1.888 1.00 1.74 H new ATOM 0 HD2 PHE A 99 -5.305 3.916 -1.831 1.00 1.78 H new ATOM 0 HE1 PHE A 99 -9.935 3.609 -0.226 1.00 1.74 H new ATOM 0 HE2 PHE A 99 -5.962 2.169 -0.168 1.00 1.79 H new ATOM 0 HZ PHE A 99 -8.271 2.035 0.612 1.00 0.41 H new ATOM 1425 N LYS A 100 -9.148 7.946 -2.422 1.00 0.48 N ATOM 1426 CA LYS A 100 -10.456 8.227 -1.856 1.00 0.49 C ATOM 1427 C LYS A 100 -11.452 7.170 -2.336 1.00 0.49 C ATOM 1428 O LYS A 100 -11.203 6.479 -3.323 1.00 0.53 O ATOM 1429 CB LYS A 100 -10.881 9.662 -2.175 1.00 0.53 C ATOM 1430 CG LYS A 100 -9.962 10.672 -1.483 1.00 0.59 C ATOM 1431 CD LYS A 100 -10.654 12.028 -1.332 1.00 1.17 C ATOM 1432 CE LYS A 100 -10.226 12.720 -0.037 1.00 1.67 C ATOM 1433 NZ LYS A 100 -9.489 13.968 -0.335 1.00 2.58 N ATOM 0 H LYS A 100 -9.065 8.138 -3.420 1.00 0.48 H new ATOM 0 HA LYS A 100 -10.422 8.163 -0.768 1.00 0.49 H new ATOM 0 HB2 LYS A 100 -10.856 9.821 -3.253 1.00 0.53 H new ATOM 0 HB3 LYS A 100 -11.910 9.821 -1.853 1.00 0.53 H new ATOM 0 HG2 LYS A 100 -9.675 10.295 -0.502 1.00 0.59 H new ATOM 0 HG3 LYS A 100 -9.045 10.790 -2.060 1.00 0.59 H new ATOM 0 HD2 LYS A 100 -10.410 12.662 -2.185 1.00 1.17 H new ATOM 0 HD3 LYS A 100 -11.735 11.891 -1.335 1.00 1.17 H new ATOM 0 HE2 LYS A 100 -11.104 12.945 0.569 1.00 1.67 H new ATOM 0 HE3 LYS A 100 -9.597 12.050 0.549 1.00 1.67 H new ATOM 0 HZ1 LYS A 100 -9.206 14.425 0.555 1.00 2.58 H new ATOM 0 HZ2 LYS A 100 -8.641 13.745 -0.895 1.00 2.58 H new ATOM 0 HZ3 LYS A 100 -10.101 14.612 -0.875 1.00 2.58 H new ATOM 1447 N VAL A 101 -12.562 7.078 -1.616 1.00 0.48 N ATOM 1448 CA VAL A 101 -13.597 6.117 -1.956 1.00 0.50 C ATOM 1449 C VAL A 101 -14.964 6.799 -1.879 1.00 0.61 C ATOM 1450 O VAL A 101 -15.342 7.324 -0.832 1.00 0.67 O ATOM 1451 CB VAL A 101 -13.489 4.889 -1.050 1.00 0.47 C ATOM 1452 CG1 VAL A 101 -14.523 3.830 -1.436 1.00 0.62 C ATOM 1453 CG2 VAL A 101 -12.073 4.309 -1.078 1.00 0.39 C ATOM 0 H VAL A 101 -12.766 7.654 -0.799 1.00 0.48 H new ATOM 0 HA VAL A 101 -13.468 5.762 -2.978 1.00 0.50 H new ATOM 0 HB VAL A 101 -13.700 5.207 -0.029 1.00 0.47 H new ATOM 0 HG11 VAL A 101 -14.424 2.968 -0.776 1.00 0.62 H new ATOM 0 HG12 VAL A 101 -15.525 4.248 -1.340 1.00 0.62 H new ATOM 0 HG13 VAL A 101 -14.357 3.519 -2.467 1.00 0.62 H new ATOM 0 HG21 VAL A 101 -12.024 3.437 -0.426 1.00 0.39 H new ATOM 0 HG22 VAL A 101 -11.820 4.015 -2.097 1.00 0.39 H new ATOM 0 HG23 VAL A 101 -11.365 5.062 -0.732 1.00 0.39 H new ATOM 1463 N LYS A 102 -15.670 6.769 -3.000 1.00 0.66 N ATOM 1464 CA LYS A 102 -16.987 7.377 -3.072 1.00 0.76 C ATOM 1465 C LYS A 102 -18.028 6.295 -3.367 1.00 0.92 C ATOM 1466 O LYS A 102 -19.183 6.414 -2.963 1.00 1.22 O ATOM 1467 CB LYS A 102 -16.991 8.527 -4.081 1.00 0.81 C ATOM 1468 CG LYS A 102 -15.916 9.561 -3.739 1.00 0.73 C ATOM 1469 CD LYS A 102 -16.545 10.912 -3.395 1.00 1.09 C ATOM 1470 CE LYS A 102 -15.680 11.681 -2.393 1.00 1.59 C ATOM 1471 NZ LYS A 102 -16.005 11.273 -1.009 1.00 2.75 N ATOM 1472 OXT LYS A 102 -17.850 5.139 -2.991 1.00 1.06 O ATOM 0 H LYS A 102 -15.354 6.333 -3.866 1.00 0.66 H new ATOM 0 HA LYS A 102 -17.254 7.823 -2.114 1.00 0.76 H new ATOM 0 HB2 LYS A 102 -16.819 8.136 -5.084 1.00 0.81 H new ATOM 0 HB3 LYS A 102 -17.971 9.005 -4.089 1.00 0.81 H new ATOM 0 HG2 LYS A 102 -15.321 9.208 -2.897 1.00 0.73 H new ATOM 0 HG3 LYS A 102 -15.236 9.677 -4.583 1.00 0.73 H new ATOM 0 HD2 LYS A 102 -16.667 11.502 -4.303 1.00 1.09 H new ATOM 0 HD3 LYS A 102 -17.540 10.758 -2.979 1.00 1.09 H new ATOM 0 HE2 LYS A 102 -14.625 11.494 -2.595 1.00 1.59 H new ATOM 0 HE3 LYS A 102 -15.842 12.752 -2.510 1.00 1.59 H new ATOM 0 HZ1 LYS A 102 -15.410 11.804 -0.342 1.00 2.75 H new ATOM 0 HZ2 LYS A 102 -17.007 11.473 -0.814 1.00 2.75 H new ATOM 0 HZ3 LYS A 102 -15.827 10.254 -0.897 1.00 2.75 H new