USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=17 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 24 HIS : no HD1:sc= 0.836 K(o=1.7,f=-2.4) USER MOD Set 1.2: A 65 THR OG1 : rot -72:sc= 0.867 USER MOD Single : A 6 SER OG : rot 180:sc= -0.998 USER MOD Single : A 7 SER OG : rot 180:sc= -0.908 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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 180:sc= 0 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 -71:sc= 0.459 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 -169:sc= 0 (180deg=-0.27) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 15:sc= -1.11 USER MOD Single : A 79 TYR OH : rot 44:sc= 1.01 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 24:sc= 0.068 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 10.121 2.729 -5.666 1.00 1.13 N ATOM 57 CA LEU A 4 8.954 2.099 -6.257 1.00 0.70 C ATOM 58 C LEU A 4 8.867 2.482 -7.736 1.00 0.68 C ATOM 59 O LEU A 4 8.510 3.611 -8.068 1.00 0.71 O ATOM 60 CB LEU A 4 7.696 2.444 -5.457 1.00 1.51 C ATOM 61 CG LEU A 4 6.378 1.890 -6.006 1.00 0.92 C ATOM 62 CD1 LEU A 4 5.689 2.912 -6.911 1.00 1.16 C ATOM 63 CD2 LEU A 4 6.600 0.553 -6.715 1.00 0.77 C ATOM 0 HA LEU A 4 9.044 1.014 -6.213 1.00 0.70 H new ATOM 0 HB2 LEU A 4 7.825 2.077 -4.439 1.00 1.51 H new ATOM 0 HB3 LEU A 4 7.614 3.529 -5.397 1.00 1.51 H new ATOM 0 HG LEU A 4 5.709 1.702 -5.166 1.00 0.92 H new ATOM 0 HD11 LEU A 4 4.756 2.494 -7.288 1.00 1.16 H new ATOM 0 HD12 LEU A 4 5.477 3.817 -6.342 1.00 1.16 H new ATOM 0 HD13 LEU A 4 6.342 3.154 -7.749 1.00 1.16 H new ATOM 0 HD21 LEU A 4 5.649 0.181 -7.096 1.00 0.77 H new ATOM 0 HD22 LEU A 4 7.294 0.692 -7.544 1.00 0.77 H new ATOM 0 HD23 LEU A 4 7.016 -0.168 -6.011 1.00 0.77 H new ATOM 75 N VAL A 5 9.199 1.520 -8.584 1.00 0.68 N ATOM 76 CA VAL A 5 9.163 1.741 -10.019 1.00 0.73 C ATOM 77 C VAL A 5 7.766 2.220 -10.423 1.00 0.72 C ATOM 78 O VAL A 5 7.598 3.359 -10.855 1.00 0.74 O ATOM 79 CB VAL A 5 9.596 0.473 -10.756 1.00 0.81 C ATOM 80 CG1 VAL A 5 9.340 0.597 -12.259 1.00 0.94 C ATOM 81 CG2 VAL A 5 11.065 0.150 -10.476 1.00 0.89 C ATOM 0 H VAL A 5 9.494 0.585 -8.304 1.00 0.68 H new ATOM 0 HA VAL A 5 9.869 2.522 -10.302 1.00 0.73 H new ATOM 0 HB VAL A 5 8.993 -0.354 -10.380 1.00 0.81 H new ATOM 0 HG11 VAL A 5 9.657 -0.318 -12.759 1.00 0.94 H new ATOM 0 HG12 VAL A 5 8.276 0.757 -12.435 1.00 0.94 H new ATOM 0 HG13 VAL A 5 9.904 1.441 -12.656 1.00 0.94 H new ATOM 0 HG21 VAL A 5 11.347 -0.756 -11.012 1.00 0.89 H new ATOM 0 HG22 VAL A 5 11.690 0.978 -10.810 1.00 0.89 H new ATOM 0 HG23 VAL A 5 11.206 -0.003 -9.406 1.00 0.89 H new ATOM 91 N SER A 6 6.802 1.326 -10.266 1.00 0.74 N ATOM 92 CA SER A 6 5.425 1.643 -10.609 1.00 0.76 C ATOM 93 C SER A 6 4.470 0.747 -9.816 1.00 0.69 C ATOM 94 O SER A 6 4.815 -0.382 -9.470 1.00 0.67 O ATOM 95 CB SER A 6 5.181 1.483 -12.110 1.00 0.87 C ATOM 96 OG SER A 6 6.315 1.872 -12.880 1.00 1.01 O ATOM 0 H SER A 6 6.946 0.382 -9.906 1.00 0.74 H new ATOM 0 HA SER A 6 5.237 2.684 -10.348 1.00 0.76 H new ATOM 0 HB2 SER A 6 4.934 0.444 -12.328 1.00 0.87 H new ATOM 0 HB3 SER A 6 4.320 2.084 -12.403 1.00 0.87 H new ATOM 0 HG SER A 6 6.120 1.754 -13.833 1.00 1.01 H new ATOM 102 N SER A 7 3.288 1.284 -9.554 1.00 0.68 N ATOM 103 CA SER A 7 2.280 0.548 -8.809 1.00 0.62 C ATOM 104 C SER A 7 0.889 1.101 -9.124 1.00 0.64 C ATOM 105 O SER A 7 0.762 2.182 -9.697 1.00 0.70 O ATOM 106 CB SER A 7 2.549 0.613 -7.304 1.00 0.56 C ATOM 107 OG SER A 7 2.620 1.957 -6.832 1.00 0.57 O ATOM 0 H SER A 7 3.005 2.220 -9.844 1.00 0.68 H new ATOM 0 HA SER A 7 2.326 -0.498 -9.113 1.00 0.62 H new ATOM 0 HB2 SER A 7 1.760 0.083 -6.771 1.00 0.56 H new ATOM 0 HB3 SER A 7 3.484 0.100 -7.080 1.00 0.56 H new ATOM 0 HG SER A 7 2.791 1.956 -5.867 1.00 0.57 H new ATOM 113 N THR A 8 -0.120 0.334 -8.736 1.00 0.61 N ATOM 114 CA THR A 8 -1.496 0.733 -8.969 1.00 0.64 C ATOM 115 C THR A 8 -2.354 0.440 -7.736 1.00 0.58 C ATOM 116 O THR A 8 -3.323 -0.313 -7.814 1.00 0.58 O ATOM 117 CB THR A 8 -1.987 0.024 -10.233 1.00 0.70 C ATOM 118 OG1 THR A 8 -1.340 0.720 -11.295 1.00 1.12 O ATOM 119 CG2 THR A 8 -3.477 0.252 -10.492 1.00 0.89 C ATOM 0 H THR A 8 -0.011 -0.562 -8.261 1.00 0.61 H new ATOM 0 HA THR A 8 -1.573 1.808 -9.131 1.00 0.64 H new ATOM 0 HB THR A 8 -1.793 -1.045 -10.147 1.00 0.70 H new ATOM 0 HG1 THR A 8 -1.601 0.324 -12.153 1.00 1.12 H new ATOM 0 HG21 THR A 8 -3.773 -0.273 -11.400 1.00 0.89 H new ATOM 0 HG22 THR A 8 -4.055 -0.127 -9.649 1.00 0.89 H new ATOM 0 HG23 THR A 8 -3.667 1.319 -10.611 1.00 0.89 H new ATOM 127 N PRO A 9 -1.955 1.067 -6.597 1.00 0.56 N ATOM 128 CA PRO A 9 -2.676 0.880 -5.349 1.00 0.53 C ATOM 129 C PRO A 9 -3.994 1.657 -5.356 1.00 0.57 C ATOM 130 O PRO A 9 -5.054 1.090 -5.093 1.00 0.73 O ATOM 131 CB PRO A 9 -1.716 1.349 -4.268 1.00 0.52 C ATOM 132 CG PRO A 9 -0.680 2.209 -4.973 1.00 0.55 C ATOM 133 CD PRO A 9 -0.812 1.966 -6.467 1.00 0.58 C ATOM 0 HA PRO A 9 -2.968 -0.157 -5.182 1.00 0.53 H new ATOM 0 HB2 PRO A 9 -2.240 1.919 -3.501 1.00 0.52 H new ATOM 0 HB3 PRO A 9 -1.246 0.502 -3.769 1.00 0.52 H new ATOM 0 HG2 PRO A 9 -0.837 3.263 -4.742 1.00 0.55 H new ATOM 0 HG3 PRO A 9 0.323 1.954 -4.632 1.00 0.55 H new ATOM 0 HD2 PRO A 9 -0.978 2.898 -7.007 1.00 0.58 H new ATOM 0 HD3 PRO A 9 0.093 1.518 -6.877 1.00 0.58 H new ATOM 141 N ALA A 10 -3.886 2.942 -5.660 1.00 0.55 N ATOM 142 CA ALA A 10 -5.057 3.802 -5.705 1.00 0.58 C ATOM 143 C ALA A 10 -4.612 5.264 -5.635 1.00 0.58 C ATOM 144 O ALA A 10 -5.161 6.047 -4.862 1.00 0.56 O ATOM 145 CB ALA A 10 -6.009 3.427 -4.568 1.00 0.58 C ATOM 0 H ALA A 10 -3.006 3.409 -5.878 1.00 0.55 H new ATOM 0 HA ALA A 10 -5.598 3.666 -6.641 1.00 0.58 H new ATOM 0 HB1 ALA A 10 -6.887 4.072 -4.601 1.00 0.58 H new ATOM 0 HB2 ALA A 10 -6.317 2.388 -4.680 1.00 0.58 H new ATOM 0 HB3 ALA A 10 -5.502 3.554 -3.612 1.00 0.58 H new ATOM 151 N GLU A 11 -3.623 5.588 -6.455 1.00 0.64 N ATOM 152 CA GLU A 11 -3.098 6.943 -6.496 1.00 0.68 C ATOM 153 C GLU A 11 -4.243 7.957 -6.453 1.00 0.71 C ATOM 154 O GLU A 11 -4.973 8.116 -7.430 1.00 0.82 O ATOM 155 CB GLU A 11 -2.224 7.155 -7.734 1.00 0.82 C ATOM 156 CG GLU A 11 -0.754 7.316 -7.345 1.00 0.85 C ATOM 157 CD GLU A 11 0.159 6.597 -8.341 1.00 1.20 C ATOM 158 OE1 GLU A 11 0.254 5.322 -8.172 1.00 2.37 O ATOM 159 OE2 GLU A 11 0.740 7.242 -9.226 1.00 1.90 O ATOM 0 H GLU A 11 -3.171 4.936 -7.096 1.00 0.64 H new ATOM 0 HA GLU A 11 -2.470 7.096 -5.618 1.00 0.68 H new ATOM 0 HB2 GLU A 11 -2.334 6.308 -8.411 1.00 0.82 H new ATOM 0 HB3 GLU A 11 -2.560 8.040 -8.274 1.00 0.82 H new ATOM 0 HG2 GLU A 11 -0.497 8.375 -7.310 1.00 0.85 H new ATOM 0 HG3 GLU A 11 -0.593 6.916 -6.344 1.00 0.85 H new ATOM 166 N GLY A 12 -4.366 8.616 -5.310 1.00 0.64 N ATOM 167 CA GLY A 12 -5.410 9.610 -5.127 1.00 0.67 C ATOM 168 C GLY A 12 -6.720 9.153 -5.772 1.00 0.77 C ATOM 169 O GLY A 12 -7.481 9.971 -6.287 1.00 1.01 O ATOM 0 H GLY A 12 -3.760 8.481 -4.501 1.00 0.64 H new ATOM 0 HA2 GLY A 12 -5.567 9.787 -4.063 1.00 0.67 H new ATOM 0 HA3 GLY A 12 -5.096 10.558 -5.565 1.00 0.67 H new ATOM 173 N SER A 13 -6.944 7.848 -5.722 1.00 0.65 N ATOM 174 CA SER A 13 -8.149 7.273 -6.294 1.00 0.74 C ATOM 175 C SER A 13 -9.368 7.674 -5.460 1.00 0.67 C ATOM 176 O SER A 13 -9.646 7.066 -4.428 1.00 0.66 O ATOM 177 CB SER A 13 -8.045 5.750 -6.382 1.00 0.90 C ATOM 178 OG SER A 13 -7.468 5.324 -7.613 1.00 1.16 O ATOM 0 H SER A 13 -6.311 7.172 -5.294 1.00 0.65 H new ATOM 0 HA SER A 13 -8.265 7.661 -7.306 1.00 0.74 H new ATOM 0 HB2 SER A 13 -7.443 5.379 -5.552 1.00 0.90 H new ATOM 0 HB3 SER A 13 -9.038 5.312 -6.276 1.00 0.90 H new ATOM 0 HG SER A 13 -7.418 4.345 -7.629 1.00 1.16 H new ATOM 184 N GLU A 14 -10.063 8.696 -5.939 1.00 0.70 N ATOM 185 CA GLU A 14 -11.245 9.185 -5.251 1.00 0.76 C ATOM 186 C GLU A 14 -12.505 8.832 -6.043 1.00 0.90 C ATOM 187 O GLU A 14 -12.637 9.209 -7.207 1.00 1.04 O ATOM 188 CB GLU A 14 -11.154 10.694 -5.009 1.00 0.89 C ATOM 189 CG GLU A 14 -9.813 11.067 -4.373 1.00 0.93 C ATOM 190 CD GLU A 14 -9.476 12.538 -4.629 1.00 1.16 C ATOM 191 OE1 GLU A 14 -10.319 13.287 -5.144 1.00 1.28 O ATOM 192 OE2 GLU A 14 -8.289 12.894 -4.271 1.00 1.89 O ATOM 0 H GLU A 14 -9.830 9.198 -6.795 1.00 0.70 H new ATOM 0 HA GLU A 14 -11.303 8.697 -4.278 1.00 0.76 H new ATOM 0 HB2 GLU A 14 -11.273 11.225 -5.953 1.00 0.89 H new ATOM 0 HB3 GLU A 14 -11.970 11.012 -4.359 1.00 0.89 H new ATOM 0 HG2 GLU A 14 -9.851 10.880 -3.300 1.00 0.93 H new ATOM 0 HG3 GLU A 14 -9.025 10.433 -4.779 1.00 0.93 H new ATOM 199 N GLY A 15 -13.400 8.113 -5.381 1.00 0.91 N ATOM 200 CA GLY A 15 -14.645 7.705 -6.009 1.00 1.11 C ATOM 201 C GLY A 15 -15.151 6.387 -5.418 1.00 0.76 C ATOM 202 O GLY A 15 -16.330 6.260 -5.094 1.00 0.73 O ATOM 0 H GLY A 15 -13.287 7.803 -4.416 1.00 0.91 H new ATOM 0 HA2 GLY A 15 -15.397 8.482 -5.872 1.00 1.11 H new ATOM 0 HA3 GLY A 15 -14.495 7.592 -7.083 1.00 1.11 H new ATOM 206 N ALA A 16 -14.232 5.439 -5.297 1.00 0.77 N ATOM 207 CA ALA A 16 -14.570 4.136 -4.751 1.00 0.73 C ATOM 208 C ALA A 16 -13.288 3.329 -4.536 1.00 1.06 C ATOM 209 O ALA A 16 -12.244 3.656 -5.098 1.00 1.70 O ATOM 210 CB ALA A 16 -15.553 3.429 -5.687 1.00 0.93 C ATOM 0 H ALA A 16 -13.255 5.548 -5.568 1.00 0.77 H new ATOM 0 HA ALA A 16 -15.060 4.242 -3.783 1.00 0.73 H new ATOM 0 HB1 ALA A 16 -15.807 2.451 -5.277 1.00 0.93 H new ATOM 0 HB2 ALA A 16 -16.459 4.028 -5.783 1.00 0.93 H new ATOM 0 HB3 ALA A 16 -15.095 3.303 -6.668 1.00 0.93 H new ATOM 216 N ALA A 17 -13.409 2.292 -3.720 1.00 0.79 N ATOM 217 CA ALA A 17 -12.273 1.437 -3.424 1.00 1.09 C ATOM 218 C ALA A 17 -12.153 0.362 -4.506 1.00 0.92 C ATOM 219 O ALA A 17 -13.153 -0.215 -4.927 1.00 0.86 O ATOM 220 CB ALA A 17 -12.434 0.840 -2.024 1.00 1.44 C ATOM 0 H ALA A 17 -14.277 2.025 -3.255 1.00 0.79 H new ATOM 0 HA ALA A 17 -11.348 2.013 -3.428 1.00 1.09 H new ATOM 0 HB1 ALA A 17 -11.581 0.198 -1.802 1.00 1.44 H new ATOM 0 HB2 ALA A 17 -12.484 1.644 -1.289 1.00 1.44 H new ATOM 0 HB3 ALA A 17 -13.351 0.252 -1.982 1.00 1.44 H new ATOM 226 N PRO A 18 -10.885 0.120 -4.938 1.00 1.00 N ATOM 227 CA PRO A 18 -10.621 -0.874 -5.962 1.00 1.03 C ATOM 228 C PRO A 18 -10.735 -2.291 -5.394 1.00 0.90 C ATOM 229 O PRO A 18 -11.089 -2.470 -4.231 1.00 1.30 O ATOM 230 CB PRO A 18 -9.227 -0.551 -6.475 1.00 1.30 C ATOM 231 CG PRO A 18 -8.580 0.314 -5.406 1.00 1.39 C ATOM 232 CD PRO A 18 -9.675 0.785 -4.462 1.00 1.24 C ATOM 0 HA PRO A 18 -11.347 -0.843 -6.774 1.00 1.03 H new ATOM 0 HB2 PRO A 18 -8.651 -1.462 -6.642 1.00 1.30 H new ATOM 0 HB3 PRO A 18 -9.274 -0.024 -7.428 1.00 1.30 H new ATOM 0 HG2 PRO A 18 -7.825 -0.253 -4.862 1.00 1.39 H new ATOM 0 HG3 PRO A 18 -8.074 1.166 -5.859 1.00 1.39 H new ATOM 0 HD2 PRO A 18 -9.453 0.512 -3.430 1.00 1.24 H new ATOM 0 HD3 PRO A 18 -9.782 1.869 -4.489 1.00 1.24 H new ATOM 240 N ALA A 19 -10.429 -3.261 -6.244 1.00 0.74 N ATOM 241 CA ALA A 19 -10.494 -4.656 -5.841 1.00 0.70 C ATOM 242 C ALA A 19 -9.271 -4.992 -4.985 1.00 0.58 C ATOM 243 O ALA A 19 -9.405 -5.551 -3.897 1.00 0.56 O ATOM 244 CB ALA A 19 -10.595 -5.542 -7.084 1.00 0.89 C ATOM 0 H ALA A 19 -10.136 -3.109 -7.209 1.00 0.74 H new ATOM 0 HA ALA A 19 -11.382 -4.840 -5.236 1.00 0.70 H new ATOM 0 HB1 ALA A 19 -10.644 -6.588 -6.782 1.00 0.89 H new ATOM 0 HB2 ALA A 19 -11.494 -5.283 -7.643 1.00 0.89 H new ATOM 0 HB3 ALA A 19 -9.719 -5.387 -7.714 1.00 0.89 H new ATOM 250 N LYS A 20 -8.106 -4.635 -5.507 1.00 0.52 N ATOM 251 CA LYS A 20 -6.861 -4.892 -4.803 1.00 0.45 C ATOM 252 C LYS A 20 -5.802 -3.890 -5.267 1.00 0.45 C ATOM 253 O LYS A 20 -5.910 -3.326 -6.355 1.00 0.53 O ATOM 254 CB LYS A 20 -6.440 -6.353 -4.973 1.00 0.48 C ATOM 255 CG LYS A 20 -6.067 -6.651 -6.427 1.00 0.56 C ATOM 256 CD LYS A 20 -7.174 -7.441 -7.127 1.00 1.43 C ATOM 257 CE LYS A 20 -6.868 -8.940 -7.114 1.00 2.24 C ATOM 258 NZ LYS A 20 -8.093 -9.716 -6.816 1.00 3.48 N ATOM 0 H LYS A 20 -7.998 -4.170 -6.409 1.00 0.52 H new ATOM 0 HA LYS A 20 -6.993 -4.745 -3.731 1.00 0.45 H new ATOM 0 HB2 LYS A 20 -5.591 -6.568 -4.325 1.00 0.48 H new ATOM 0 HB3 LYS A 20 -7.253 -7.008 -4.661 1.00 0.48 H new ATOM 0 HG2 LYS A 20 -5.890 -5.716 -6.959 1.00 0.56 H new ATOM 0 HG3 LYS A 20 -5.136 -7.217 -6.458 1.00 0.56 H new ATOM 0 HD2 LYS A 20 -8.127 -7.256 -6.631 1.00 1.43 H new ATOM 0 HD3 LYS A 20 -7.278 -7.096 -8.156 1.00 1.43 H new ATOM 0 HE2 LYS A 20 -6.464 -9.243 -8.080 1.00 2.24 H new ATOM 0 HE3 LYS A 20 -6.104 -9.155 -6.367 1.00 2.24 H new ATOM 0 HZ1 LYS A 20 -7.868 -10.731 -6.811 1.00 3.48 H new ATOM 0 HZ2 LYS A 20 -8.462 -9.438 -5.884 1.00 3.48 H new ATOM 0 HZ3 LYS A 20 -8.811 -9.524 -7.543 1.00 3.48 H new ATOM 272 N ILE A 21 -4.803 -3.697 -4.419 1.00 0.41 N ATOM 273 CA ILE A 21 -3.726 -2.773 -4.729 1.00 0.43 C ATOM 274 C ILE A 21 -2.673 -3.489 -5.576 1.00 0.44 C ATOM 275 O ILE A 21 -2.357 -4.652 -5.329 1.00 0.40 O ATOM 276 CB ILE A 21 -3.166 -2.154 -3.446 1.00 0.42 C ATOM 277 CG1 ILE A 21 -3.925 -0.878 -3.075 1.00 0.46 C ATOM 278 CG2 ILE A 21 -1.660 -1.911 -3.568 1.00 0.42 C ATOM 279 CD1 ILE A 21 -4.602 -1.021 -1.711 1.00 0.49 C ATOM 0 H ILE A 21 -4.717 -4.165 -3.517 1.00 0.41 H new ATOM 0 HA ILE A 21 -4.099 -1.938 -5.323 1.00 0.43 H new ATOM 0 HB ILE A 21 -3.313 -2.863 -2.632 1.00 0.42 H new ATOM 0 HG12 ILE A 21 -3.236 -0.033 -3.057 1.00 0.46 H new ATOM 0 HG13 ILE A 21 -4.675 -0.662 -3.836 1.00 0.46 H new ATOM 0 HG21 ILE A 21 -1.286 -1.471 -2.643 1.00 0.42 H new ATOM 0 HG22 ILE A 21 -1.152 -2.858 -3.750 1.00 0.42 H new ATOM 0 HG23 ILE A 21 -1.467 -1.231 -4.398 1.00 0.42 H new ATOM 0 HD11 ILE A 21 -5.135 -0.101 -1.471 1.00 0.49 H new ATOM 0 HD12 ILE A 21 -5.307 -1.851 -1.740 1.00 0.49 H new ATOM 0 HD13 ILE A 21 -3.847 -1.213 -0.948 1.00 0.49 H new ATOM 291 N GLU A 22 -2.158 -2.765 -6.560 1.00 0.53 N ATOM 292 CA GLU A 22 -1.148 -3.317 -7.446 1.00 0.59 C ATOM 293 C GLU A 22 0.210 -2.667 -7.173 1.00 0.56 C ATOM 294 O GLU A 22 0.278 -1.496 -6.801 1.00 0.53 O ATOM 295 CB GLU A 22 -1.552 -3.147 -8.912 1.00 0.68 C ATOM 296 CG GLU A 22 -1.759 -4.505 -9.584 1.00 0.90 C ATOM 297 CD GLU A 22 -1.847 -4.356 -11.105 1.00 1.47 C ATOM 298 OE1 GLU A 22 -2.743 -3.662 -11.609 1.00 2.75 O ATOM 299 OE2 GLU A 22 -0.943 -4.992 -11.769 1.00 1.57 O ATOM 0 H GLU A 22 -2.422 -1.801 -6.763 1.00 0.53 H new ATOM 0 HA GLU A 22 -1.064 -4.386 -7.248 1.00 0.59 H new ATOM 0 HB2 GLU A 22 -2.470 -2.563 -8.975 1.00 0.68 H new ATOM 0 HB3 GLU A 22 -0.781 -2.588 -9.443 1.00 0.68 H new ATOM 0 HG2 GLU A 22 -0.935 -5.171 -9.327 1.00 0.90 H new ATOM 0 HG3 GLU A 22 -2.672 -4.966 -9.207 1.00 0.90 H new ATOM 306 N LEU A 23 1.257 -3.454 -7.367 1.00 0.58 N ATOM 307 CA LEU A 23 2.610 -2.970 -7.146 1.00 0.57 C ATOM 308 C LEU A 23 3.560 -3.659 -8.127 1.00 0.63 C ATOM 309 O LEU A 23 3.417 -4.849 -8.404 1.00 0.64 O ATOM 310 CB LEU A 23 3.008 -3.143 -5.679 1.00 0.55 C ATOM 311 CG LEU A 23 2.051 -2.541 -4.648 1.00 0.54 C ATOM 312 CD1 LEU A 23 2.271 -3.161 -3.268 1.00 0.51 C ATOM 313 CD2 LEU A 23 2.169 -1.015 -4.617 1.00 0.64 C ATOM 0 H LEU A 23 1.197 -4.424 -7.675 1.00 0.58 H new ATOM 0 HA LEU A 23 2.669 -1.900 -7.344 1.00 0.57 H new ATOM 0 HB2 LEU A 23 3.108 -4.209 -5.474 1.00 0.55 H new ATOM 0 HB3 LEU A 23 3.992 -2.697 -5.535 1.00 0.55 H new ATOM 0 HG LEU A 23 1.031 -2.779 -4.948 1.00 0.54 H new ATOM 0 HD11 LEU A 23 1.578 -2.715 -2.554 1.00 0.51 H new ATOM 0 HD12 LEU A 23 2.097 -4.236 -3.320 1.00 0.51 H new ATOM 0 HD13 LEU A 23 3.295 -2.975 -2.944 1.00 0.51 H new ATOM 0 HD21 LEU A 23 1.479 -0.612 -3.876 1.00 0.64 H new ATOM 0 HD22 LEU A 23 3.189 -0.734 -4.353 1.00 0.64 H new ATOM 0 HD23 LEU A 23 1.924 -0.611 -5.599 1.00 0.64 H new ATOM 325 N HIS A 24 4.509 -2.881 -8.626 1.00 0.69 N ATOM 326 CA HIS A 24 5.483 -3.401 -9.571 1.00 0.76 C ATOM 327 C HIS A 24 6.887 -2.953 -9.160 1.00 0.73 C ATOM 328 O HIS A 24 7.052 -1.897 -8.551 1.00 0.70 O ATOM 329 CB HIS A 24 5.125 -2.992 -11.002 1.00 0.83 C ATOM 330 CG HIS A 24 4.040 -3.835 -11.628 1.00 0.90 C ATOM 331 ND1 HIS A 24 4.305 -4.993 -12.337 1.00 1.05 N ATOM 332 CD2 HIS A 24 2.685 -3.675 -11.643 1.00 0.90 C ATOM 333 CE1 HIS A 24 3.155 -5.499 -12.757 1.00 1.09 C ATOM 334 NE2 HIS A 24 2.152 -4.682 -12.327 1.00 0.99 N ATOM 0 H HIS A 24 4.624 -1.894 -8.394 1.00 0.69 H new ATOM 0 HA HIS A 24 5.467 -4.491 -9.552 1.00 0.76 H new ATOM 0 HB2 HIS A 24 4.807 -1.950 -11.002 1.00 0.83 H new ATOM 0 HB3 HIS A 24 6.020 -3.052 -11.621 1.00 0.83 H new ATOM 0 HD2 HIS A 24 2.139 -2.868 -11.178 1.00 0.90 H new ATOM 0 HE1 HIS A 24 3.033 -6.401 -13.338 1.00 1.09 H new ATOM 0 HE2 HIS A 24 1.157 -4.821 -12.501 1.00 0.99 H new ATOM 342 N PHE A 25 7.863 -3.779 -9.510 1.00 0.78 N ATOM 343 CA PHE A 25 9.247 -3.480 -9.185 1.00 0.78 C ATOM 344 C PHE A 25 10.201 -4.185 -10.151 1.00 0.83 C ATOM 345 O PHE A 25 10.105 -5.395 -10.352 1.00 1.16 O ATOM 346 CB PHE A 25 9.496 -4.002 -7.769 1.00 0.83 C ATOM 347 CG PHE A 25 9.163 -2.994 -6.667 1.00 0.82 C ATOM 348 CD1 PHE A 25 10.043 -2.003 -6.363 1.00 1.98 C ATOM 349 CD2 PHE A 25 7.986 -3.090 -5.991 1.00 1.84 C ATOM 350 CE1 PHE A 25 9.734 -1.067 -5.340 1.00 2.30 C ATOM 351 CE2 PHE A 25 7.677 -2.154 -4.968 1.00 1.77 C ATOM 352 CZ PHE A 25 8.558 -1.164 -4.664 1.00 1.32 C ATOM 0 H PHE A 25 7.722 -4.654 -10.015 1.00 0.78 H new ATOM 0 HA PHE A 25 9.424 -2.407 -9.260 1.00 0.78 H new ATOM 0 HB2 PHE A 25 8.902 -4.903 -7.615 1.00 0.83 H new ATOM 0 HB3 PHE A 25 10.543 -4.291 -7.678 1.00 0.83 H new ATOM 0 HD1 PHE A 25 10.977 -1.927 -6.899 1.00 1.98 H new ATOM 0 HD2 PHE A 25 7.287 -3.877 -6.232 1.00 1.84 H new ATOM 0 HE1 PHE A 25 10.432 -0.279 -5.099 1.00 2.30 H new ATOM 0 HE2 PHE A 25 6.742 -2.229 -4.432 1.00 1.77 H new ATOM 0 HZ PHE A 25 8.324 -0.454 -3.885 1.00 1.32 H new ATOM 362 N SER A 26 11.101 -3.399 -10.723 1.00 0.68 N ATOM 363 CA SER A 26 12.072 -3.934 -11.663 1.00 0.74 C ATOM 364 C SER A 26 13.084 -4.814 -10.927 1.00 0.89 C ATOM 365 O SER A 26 13.816 -5.580 -11.551 1.00 1.08 O ATOM 366 CB SER A 26 12.792 -2.809 -12.410 1.00 0.96 C ATOM 367 OG SER A 26 12.170 -2.514 -13.657 1.00 1.62 O ATOM 0 H SER A 26 11.179 -2.396 -10.554 1.00 0.68 H new ATOM 0 HA SER A 26 11.540 -4.540 -12.397 1.00 0.74 H new ATOM 0 HB2 SER A 26 12.805 -1.912 -11.790 1.00 0.96 H new ATOM 0 HB3 SER A 26 13.830 -3.094 -12.581 1.00 0.96 H new ATOM 0 HG SER A 26 12.658 -1.790 -14.103 1.00 1.62 H new ATOM 499 N GLY A 35 7.301 -4.775 2.166 1.00 0.95 N ATOM 500 CA GLY A 35 5.895 -4.915 1.831 1.00 1.55 C ATOM 501 C GLY A 35 5.169 -3.572 1.938 1.00 1.28 C ATOM 502 O GLY A 35 5.737 -2.528 1.621 1.00 1.31 O ATOM 0 HA2 GLY A 35 5.796 -5.306 0.818 1.00 1.55 H new ATOM 0 HA3 GLY A 35 5.429 -5.639 2.499 1.00 1.55 H new ATOM 506 N ALA A 36 3.924 -3.643 2.386 1.00 1.12 N ATOM 507 CA ALA A 36 3.114 -2.446 2.540 1.00 0.93 C ATOM 508 C ALA A 36 2.039 -2.694 3.598 1.00 0.92 C ATOM 509 O ALA A 36 1.879 -3.818 4.074 1.00 1.05 O ATOM 510 CB ALA A 36 2.521 -2.054 1.185 1.00 1.14 C ATOM 0 H ALA A 36 3.456 -4.511 2.647 1.00 1.12 H new ATOM 0 HA ALA A 36 3.725 -1.611 2.883 1.00 0.93 H new ATOM 0 HB1 ALA A 36 1.913 -1.156 1.300 1.00 1.14 H new ATOM 0 HB2 ALA A 36 3.327 -1.859 0.478 1.00 1.14 H new ATOM 0 HB3 ALA A 36 1.899 -2.867 0.811 1.00 1.14 H new ATOM 516 N LYS A 37 1.327 -1.629 3.935 1.00 0.79 N ATOM 517 CA LYS A 37 0.271 -1.718 4.929 1.00 0.82 C ATOM 518 C LYS A 37 -0.742 -0.595 4.692 1.00 0.70 C ATOM 519 O LYS A 37 -0.367 0.571 4.582 1.00 0.61 O ATOM 520 CB LYS A 37 0.861 -1.725 6.341 1.00 0.87 C ATOM 521 CG LYS A 37 0.783 -3.121 6.960 1.00 1.02 C ATOM 522 CD LYS A 37 -0.582 -3.357 7.611 1.00 2.36 C ATOM 523 CE LYS A 37 -0.434 -4.104 8.938 1.00 2.40 C ATOM 524 NZ LYS A 37 -1.694 -4.800 9.283 1.00 3.97 N ATOM 0 H LYS A 37 1.461 -0.699 3.537 1.00 0.79 H new ATOM 0 HA LYS A 37 -0.267 -2.661 4.829 1.00 0.82 H new ATOM 0 HB2 LYS A 37 1.900 -1.396 6.307 1.00 0.87 H new ATOM 0 HB3 LYS A 37 0.322 -1.015 6.968 1.00 0.87 H new ATOM 0 HG2 LYS A 37 0.958 -3.874 6.191 1.00 1.02 H new ATOM 0 HG3 LYS A 37 1.570 -3.237 7.705 1.00 1.02 H new ATOM 0 HD2 LYS A 37 -1.078 -2.401 7.781 1.00 2.36 H new ATOM 0 HD3 LYS A 37 -1.217 -3.930 6.936 1.00 2.36 H new ATOM 0 HE2 LYS A 37 0.380 -4.826 8.867 1.00 2.40 H new ATOM 0 HE3 LYS A 37 -0.170 -3.403 9.730 1.00 2.40 H new ATOM 0 HZ1 LYS A 37 -1.577 -5.302 10.186 1.00 3.97 H new ATOM 0 HZ2 LYS A 37 -2.462 -4.104 9.371 1.00 3.97 H new ATOM 0 HZ3 LYS A 37 -1.929 -5.483 8.535 1.00 3.97 H new ATOM 538 N LEU A 38 -2.006 -0.988 4.619 1.00 0.71 N ATOM 539 CA LEU A 38 -3.075 -0.030 4.397 1.00 0.62 C ATOM 540 C LEU A 38 -3.589 0.477 5.747 1.00 0.62 C ATOM 541 O LEU A 38 -3.683 -0.288 6.705 1.00 0.75 O ATOM 542 CB LEU A 38 -4.165 -0.639 3.514 1.00 0.60 C ATOM 543 CG LEU A 38 -5.535 0.040 3.575 1.00 0.50 C ATOM 544 CD1 LEU A 38 -5.415 1.541 3.302 1.00 0.53 C ATOM 545 CD2 LEU A 38 -6.526 -0.637 2.625 1.00 0.63 C ATOM 0 H LEU A 38 -2.313 -1.956 4.710 1.00 0.71 H new ATOM 0 HA LEU A 38 -2.702 0.837 3.851 1.00 0.62 H new ATOM 0 HB2 LEU A 38 -3.819 -0.622 2.480 1.00 0.60 H new ATOM 0 HB3 LEU A 38 -4.288 -1.686 3.792 1.00 0.60 H new ATOM 0 HG LEU A 38 -5.928 -0.074 4.585 1.00 0.50 H new ATOM 0 HD11 LEU A 38 -6.402 2.000 3.351 1.00 0.53 H new ATOM 0 HD12 LEU A 38 -4.766 1.996 4.050 1.00 0.53 H new ATOM 0 HD13 LEU A 38 -4.991 1.698 2.310 1.00 0.53 H new ATOM 0 HD21 LEU A 38 -7.491 -0.135 2.688 1.00 0.63 H new ATOM 0 HD22 LEU A 38 -6.151 -0.575 1.603 1.00 0.63 H new ATOM 0 HD23 LEU A 38 -6.642 -1.684 2.906 1.00 0.63 H new ATOM 557 N VAL A 39 -3.906 1.763 5.778 1.00 0.56 N ATOM 558 CA VAL A 39 -4.408 2.381 6.994 1.00 0.59 C ATOM 559 C VAL A 39 -5.555 3.330 6.643 1.00 0.52 C ATOM 560 O VAL A 39 -5.449 4.117 5.704 1.00 0.47 O ATOM 561 CB VAL A 39 -3.264 3.073 7.738 1.00 0.66 C ATOM 562 CG1 VAL A 39 -2.042 2.159 7.840 1.00 0.81 C ATOM 563 CG2 VAL A 39 -2.901 4.401 7.071 1.00 0.59 C ATOM 0 H VAL A 39 -3.825 2.394 4.981 1.00 0.56 H new ATOM 0 HA VAL A 39 -4.808 1.626 7.670 1.00 0.59 H new ATOM 0 HB VAL A 39 -3.606 3.288 8.751 1.00 0.66 H new ATOM 0 HG11 VAL A 39 -1.244 2.676 8.373 1.00 0.81 H new ATOM 0 HG12 VAL A 39 -2.311 1.251 8.380 1.00 0.81 H new ATOM 0 HG13 VAL A 39 -1.699 1.897 6.839 1.00 0.81 H new ATOM 0 HG21 VAL A 39 -2.085 4.873 7.619 1.00 0.59 H new ATOM 0 HG22 VAL A 39 -2.589 4.218 6.043 1.00 0.59 H new ATOM 0 HG23 VAL A 39 -3.769 5.060 7.075 1.00 0.59 H new ATOM 573 N MET A 40 -6.626 3.223 7.416 1.00 0.57 N ATOM 574 CA MET A 40 -7.791 4.063 7.198 1.00 0.55 C ATOM 575 C MET A 40 -7.710 5.342 8.034 1.00 0.62 C ATOM 576 O MET A 40 -8.045 5.337 9.218 1.00 0.74 O ATOM 577 CB MET A 40 -9.056 3.288 7.572 1.00 0.60 C ATOM 578 CG MET A 40 -10.293 4.184 7.494 1.00 0.63 C ATOM 579 SD MET A 40 -11.293 3.976 8.958 1.00 1.04 S ATOM 580 CE MET A 40 -12.124 2.450 8.551 1.00 2.79 C ATOM 0 H MET A 40 -6.711 2.568 8.193 1.00 0.57 H new ATOM 0 HA MET A 40 -7.822 4.342 6.145 1.00 0.55 H new ATOM 0 HB2 MET A 40 -9.177 2.437 6.902 1.00 0.60 H new ATOM 0 HB3 MET A 40 -8.956 2.887 8.581 1.00 0.60 H new ATOM 0 HG2 MET A 40 -9.991 5.227 7.395 1.00 0.63 H new ATOM 0 HG3 MET A 40 -10.876 3.936 6.607 1.00 0.63 H new ATOM 0 HE1 MET A 40 -12.794 2.172 9.365 1.00 2.79 H new ATOM 0 HE2 MET A 40 -12.701 2.583 7.636 1.00 2.79 H new ATOM 0 HE3 MET A 40 -11.386 1.662 8.403 1.00 2.79 H new ATOM 590 N THR A 41 -7.263 6.407 7.385 1.00 0.59 N ATOM 591 CA THR A 41 -7.134 7.691 8.054 1.00 0.70 C ATOM 592 C THR A 41 -8.117 8.702 7.462 1.00 0.73 C ATOM 593 O THR A 41 -7.709 9.744 6.950 1.00 0.83 O ATOM 594 CB THR A 41 -5.673 8.133 7.952 1.00 0.78 C ATOM 595 OG1 THR A 41 -5.637 9.378 8.641 1.00 0.93 O ATOM 596 CG2 THR A 41 -5.268 8.488 6.519 1.00 0.82 C ATOM 0 H THR A 41 -6.986 6.407 6.403 1.00 0.59 H new ATOM 0 HA THR A 41 -7.392 7.614 9.110 1.00 0.70 H new ATOM 0 HB THR A 41 -5.027 7.339 8.326 1.00 0.78 H new ATOM 0 HG1 THR A 41 -6.106 10.058 8.113 1.00 0.93 H new ATOM 0 HG21 THR A 41 -4.222 8.795 6.502 1.00 0.82 H new ATOM 0 HG22 THR A 41 -5.401 7.617 5.877 1.00 0.82 H new ATOM 0 HG23 THR A 41 -5.892 9.305 6.156 1.00 0.82 H new ATOM 604 N ALA A 42 -9.395 8.361 7.551 1.00 0.70 N ATOM 605 CA ALA A 42 -10.439 9.225 7.030 1.00 0.77 C ATOM 606 C ALA A 42 -10.736 10.330 8.048 1.00 1.32 C ATOM 607 O ALA A 42 -10.827 10.067 9.246 1.00 3.08 O ATOM 608 CB ALA A 42 -11.677 8.390 6.700 1.00 0.98 C ATOM 0 H ALA A 42 -9.730 7.497 7.977 1.00 0.70 H new ATOM 0 HA ALA A 42 -10.114 9.705 6.107 1.00 0.77 H new ATOM 0 HB1 ALA A 42 -12.460 9.039 6.309 1.00 0.98 H new ATOM 0 HB2 ALA A 42 -11.421 7.639 5.952 1.00 0.98 H new ATOM 0 HB3 ALA A 42 -12.033 7.895 7.603 1.00 0.98 H new ATOM 726 N MET A 51 -5.428 4.479 10.922 1.00 1.12 N ATOM 727 CA MET A 51 -5.902 3.236 11.506 1.00 0.99 C ATOM 728 C MET A 51 -5.592 2.048 10.593 1.00 0.90 C ATOM 729 O MET A 51 -6.203 1.897 9.535 1.00 0.97 O ATOM 730 CB MET A 51 -7.413 3.323 11.736 1.00 1.01 C ATOM 731 CG MET A 51 -7.743 4.348 12.823 1.00 1.40 C ATOM 732 SD MET A 51 -9.486 4.287 13.208 1.00 2.05 S ATOM 733 CE MET A 51 -9.432 3.382 14.746 1.00 2.21 C ATOM 0 HA MET A 51 -5.389 3.084 12.456 1.00 0.99 H new ATOM 0 HB2 MET A 51 -7.911 3.600 10.807 1.00 1.01 H new ATOM 0 HB3 MET A 51 -7.798 2.345 12.024 1.00 1.01 H new ATOM 0 HG2 MET A 51 -7.157 4.143 13.719 1.00 1.40 H new ATOM 0 HG3 MET A 51 -7.471 5.348 12.486 1.00 1.40 H new ATOM 0 HE1 MET A 51 -10.445 3.254 15.128 1.00 2.21 H new ATOM 0 HE2 MET A 51 -8.981 2.404 14.577 1.00 2.21 H new ATOM 0 HE3 MET A 51 -8.837 3.935 15.473 1.00 2.21 H new ATOM 743 N ALA A 52 -4.645 1.235 11.035 1.00 0.94 N ATOM 744 CA ALA A 52 -4.246 0.064 10.272 1.00 0.87 C ATOM 745 C ALA A 52 -5.477 -0.802 9.996 1.00 0.78 C ATOM 746 O ALA A 52 -6.324 -0.981 10.871 1.00 0.82 O ATOM 747 CB ALA A 52 -3.157 -0.695 11.032 1.00 0.91 C ATOM 0 H ALA A 52 -4.141 1.364 11.913 1.00 0.94 H new ATOM 0 HA ALA A 52 -3.826 0.357 9.310 1.00 0.87 H new ATOM 0 HB1 ALA A 52 -2.858 -1.573 10.459 1.00 0.91 H new ATOM 0 HB2 ALA A 52 -2.294 -0.045 11.177 1.00 0.91 H new ATOM 0 HB3 ALA A 52 -3.542 -1.008 12.002 1.00 0.91 H new ATOM 753 N VAL A 53 -5.537 -1.318 8.777 1.00 0.70 N ATOM 754 CA VAL A 53 -6.649 -2.162 8.376 1.00 0.65 C ATOM 755 C VAL A 53 -6.183 -3.618 8.313 1.00 0.65 C ATOM 756 O VAL A 53 -4.985 -3.894 8.367 1.00 0.84 O ATOM 757 CB VAL A 53 -7.232 -1.664 7.051 1.00 0.68 C ATOM 758 CG1 VAL A 53 -6.350 -2.082 5.873 1.00 0.69 C ATOM 759 CG2 VAL A 53 -8.667 -2.159 6.863 1.00 0.78 C ATOM 0 H VAL A 53 -4.833 -1.168 8.054 1.00 0.70 H new ATOM 0 HA VAL A 53 -7.452 -2.109 9.111 1.00 0.65 H new ATOM 0 HB VAL A 53 -7.255 -0.575 7.083 1.00 0.68 H new ATOM 0 HG11 VAL A 53 -6.786 -1.716 4.944 1.00 0.69 H new ATOM 0 HG12 VAL A 53 -5.353 -1.659 5.997 1.00 0.69 H new ATOM 0 HG13 VAL A 53 -6.281 -3.169 5.838 1.00 0.69 H new ATOM 0 HG21 VAL A 53 -9.057 -1.791 5.914 1.00 0.78 H new ATOM 0 HG22 VAL A 53 -8.679 -3.249 6.862 1.00 0.78 H new ATOM 0 HG23 VAL A 53 -9.289 -1.790 7.679 1.00 0.78 H new ATOM 769 N LYS A 54 -7.154 -4.513 8.202 1.00 0.62 N ATOM 770 CA LYS A 54 -6.858 -5.934 8.132 1.00 0.66 C ATOM 771 C LYS A 54 -6.717 -6.349 6.667 1.00 0.63 C ATOM 772 O LYS A 54 -7.706 -6.675 6.012 1.00 0.81 O ATOM 773 CB LYS A 54 -7.908 -6.737 8.902 1.00 0.73 C ATOM 774 CG LYS A 54 -7.534 -6.854 10.381 1.00 1.82 C ATOM 775 CD LYS A 54 -8.748 -7.246 11.225 1.00 1.97 C ATOM 776 CE LYS A 54 -8.394 -7.283 12.712 1.00 3.34 C ATOM 777 NZ LYS A 54 -8.856 -6.048 13.386 1.00 4.28 N ATOM 0 H LYS A 54 -8.146 -4.282 8.159 1.00 0.62 H new ATOM 0 HA LYS A 54 -5.906 -6.151 8.617 1.00 0.66 H new ATOM 0 HB2 LYS A 54 -8.881 -6.255 8.806 1.00 0.73 H new ATOM 0 HB3 LYS A 54 -8.001 -7.732 8.467 1.00 0.73 H new ATOM 0 HG2 LYS A 54 -6.747 -7.598 10.503 1.00 1.82 H new ATOM 0 HG3 LYS A 54 -7.133 -5.904 10.734 1.00 1.82 H new ATOM 0 HD2 LYS A 54 -9.556 -6.534 11.058 1.00 1.97 H new ATOM 0 HD3 LYS A 54 -9.114 -8.223 10.910 1.00 1.97 H new ATOM 0 HE2 LYS A 54 -8.854 -8.153 13.180 1.00 3.34 H new ATOM 0 HE3 LYS A 54 -7.316 -7.389 12.833 1.00 3.34 H new ATOM 0 HZ1 LYS A 54 -8.608 -6.090 14.395 1.00 4.28 H new ATOM 0 HZ2 LYS A 54 -8.398 -5.222 12.950 1.00 4.28 H new ATOM 0 HZ3 LYS A 54 -9.888 -5.964 13.287 1.00 4.28 H new ATOM 791 N ALA A 55 -5.480 -6.325 6.194 1.00 0.59 N ATOM 792 CA ALA A 55 -5.197 -6.696 4.818 1.00 0.56 C ATOM 793 C ALA A 55 -3.978 -7.620 4.783 1.00 0.53 C ATOM 794 O ALA A 55 -3.352 -7.866 5.813 1.00 0.57 O ATOM 795 CB ALA A 55 -4.994 -5.432 3.980 1.00 0.60 C ATOM 0 H ALA A 55 -4.662 -6.054 6.739 1.00 0.59 H new ATOM 0 HA ALA A 55 -6.037 -7.242 4.388 1.00 0.56 H new ATOM 0 HB1 ALA A 55 -4.782 -5.710 2.948 1.00 0.60 H new ATOM 0 HB2 ALA A 55 -5.898 -4.824 4.013 1.00 0.60 H new ATOM 0 HB3 ALA A 55 -4.157 -4.860 4.381 1.00 0.60 H new ATOM 801 N ALA A 56 -3.677 -8.107 3.588 1.00 0.52 N ATOM 802 CA ALA A 56 -2.544 -8.998 3.406 1.00 0.55 C ATOM 803 C ALA A 56 -1.831 -8.648 2.098 1.00 0.48 C ATOM 804 O ALA A 56 -2.441 -8.099 1.181 1.00 0.45 O ATOM 805 CB ALA A 56 -3.026 -10.450 3.437 1.00 0.67 C ATOM 0 H ALA A 56 -4.199 -7.901 2.736 1.00 0.52 H new ATOM 0 HA ALA A 56 -1.825 -8.876 4.216 1.00 0.55 H new ATOM 0 HB1 ALA A 56 -2.176 -11.119 3.300 1.00 0.67 H new ATOM 0 HB2 ALA A 56 -3.499 -10.656 4.397 1.00 0.67 H new ATOM 0 HB3 ALA A 56 -3.747 -10.611 2.635 1.00 0.67 H new ATOM 811 N VAL A 57 -0.549 -8.980 2.053 1.00 0.56 N ATOM 812 CA VAL A 57 0.253 -8.708 0.873 1.00 0.54 C ATOM 813 C VAL A 57 0.528 -10.020 0.136 1.00 0.60 C ATOM 814 O VAL A 57 1.014 -10.981 0.730 1.00 0.71 O ATOM 815 CB VAL A 57 1.531 -7.966 1.269 1.00 0.63 C ATOM 816 CG1 VAL A 57 1.217 -6.789 2.195 1.00 1.54 C ATOM 817 CG2 VAL A 57 2.541 -8.917 1.915 1.00 1.89 C ATOM 0 H VAL A 57 -0.046 -9.435 2.815 1.00 0.56 H new ATOM 0 HA VAL A 57 -0.286 -8.056 0.186 1.00 0.54 H new ATOM 0 HB VAL A 57 1.981 -7.567 0.360 1.00 0.63 H new ATOM 0 HG11 VAL A 57 2.143 -6.279 2.461 1.00 1.54 H new ATOM 0 HG12 VAL A 57 0.552 -6.092 1.685 1.00 1.54 H new ATOM 0 HG13 VAL A 57 0.732 -7.157 3.099 1.00 1.54 H new ATOM 0 HG21 VAL A 57 3.440 -8.363 2.187 1.00 1.89 H new ATOM 0 HG22 VAL A 57 2.103 -9.360 2.810 1.00 1.89 H new ATOM 0 HG23 VAL A 57 2.800 -9.706 1.209 1.00 1.89 H new ATOM 827 N SER A 58 0.208 -10.018 -1.150 1.00 0.58 N ATOM 828 CA SER A 58 0.414 -11.195 -1.975 1.00 0.69 C ATOM 829 C SER A 58 0.920 -10.783 -3.359 1.00 0.80 C ATOM 830 O SER A 58 0.350 -9.896 -3.993 1.00 1.26 O ATOM 831 CB SER A 58 -0.874 -12.012 -2.103 1.00 0.76 C ATOM 832 OG SER A 58 -1.520 -12.190 -0.845 1.00 0.83 O ATOM 0 H SER A 58 -0.193 -9.219 -1.641 1.00 0.58 H new ATOM 0 HA SER A 58 1.164 -11.822 -1.493 1.00 0.69 H new ATOM 0 HB2 SER A 58 -1.554 -11.511 -2.792 1.00 0.76 H new ATOM 0 HB3 SER A 58 -0.644 -12.987 -2.534 1.00 0.76 H new ATOM 0 HG SER A 58 -2.338 -12.715 -0.969 1.00 0.83 H new ATOM 838 N GLY A 59 1.984 -11.446 -3.786 1.00 0.69 N ATOM 839 CA GLY A 59 2.573 -11.159 -5.084 1.00 0.76 C ATOM 840 C GLY A 59 1.697 -11.699 -6.215 1.00 0.96 C ATOM 841 O GLY A 59 0.801 -12.508 -5.980 1.00 1.19 O ATOM 0 H GLY A 59 2.454 -12.181 -3.257 1.00 0.69 H new ATOM 0 HA2 GLY A 59 2.700 -10.083 -5.200 1.00 0.76 H new ATOM 0 HA3 GLY A 59 3.566 -11.605 -5.143 1.00 0.76 H new ATOM 885 N LYS A 64 8.545 -9.816 -8.026 1.00 0.91 N ATOM 886 CA LYS A 64 8.779 -8.489 -8.567 1.00 0.94 C ATOM 887 C LYS A 64 7.482 -7.680 -8.501 1.00 0.81 C ATOM 888 O LYS A 64 7.503 -6.489 -8.192 1.00 0.73 O ATOM 889 CB LYS A 64 9.375 -8.581 -9.973 1.00 1.11 C ATOM 890 CG LYS A 64 8.286 -8.842 -11.015 1.00 1.26 C ATOM 891 CD LYS A 64 8.895 -9.086 -12.397 1.00 1.45 C ATOM 892 CE LYS A 64 7.983 -8.548 -13.501 1.00 2.29 C ATOM 893 NZ LYS A 64 8.348 -9.138 -14.808 1.00 2.66 N ATOM 0 HA LYS A 64 9.518 -7.958 -7.967 1.00 0.94 H new ATOM 0 HB2 LYS A 64 9.897 -7.654 -10.212 1.00 1.11 H new ATOM 0 HB3 LYS A 64 10.114 -9.381 -10.007 1.00 1.11 H new ATOM 0 HG2 LYS A 64 7.693 -9.707 -10.717 1.00 1.26 H new ATOM 0 HG3 LYS A 64 7.608 -7.990 -11.058 1.00 1.26 H new ATOM 0 HD2 LYS A 64 9.870 -8.603 -12.459 1.00 1.45 H new ATOM 0 HD3 LYS A 64 9.058 -10.154 -12.543 1.00 1.45 H new ATOM 0 HE2 LYS A 64 6.944 -8.780 -13.268 1.00 2.29 H new ATOM 0 HE3 LYS A 64 8.063 -7.462 -13.550 1.00 2.29 H new ATOM 0 HZ1 LYS A 64 7.719 -8.762 -15.546 1.00 2.66 H new ATOM 0 HZ2 LYS A 64 9.333 -8.895 -15.036 1.00 2.66 H new ATOM 0 HZ3 LYS A 64 8.248 -10.172 -14.762 1.00 2.66 H new ATOM 907 N THR A 65 6.383 -8.359 -8.796 1.00 0.92 N ATOM 908 CA THR A 65 5.078 -7.719 -8.774 1.00 0.87 C ATOM 909 C THR A 65 4.342 -8.052 -7.475 1.00 0.76 C ATOM 910 O THR A 65 4.235 -9.219 -7.101 1.00 0.82 O ATOM 911 CB THR A 65 4.320 -8.149 -10.030 1.00 1.10 C ATOM 912 OG1 THR A 65 4.945 -7.418 -11.081 1.00 1.11 O ATOM 913 CG2 THR A 65 2.873 -7.650 -10.040 1.00 1.25 C ATOM 0 H THR A 65 6.369 -9.346 -9.052 1.00 0.92 H new ATOM 0 HA THR A 65 5.170 -6.633 -8.788 1.00 0.87 H new ATOM 0 HB THR A 65 4.330 -9.236 -10.105 1.00 1.10 H new ATOM 0 HG1 THR A 65 4.697 -6.472 -11.014 1.00 1.11 H new ATOM 0 HG21 THR A 65 2.380 -7.983 -10.953 1.00 1.25 H new ATOM 0 HG22 THR A 65 2.344 -8.050 -9.175 1.00 1.25 H new ATOM 0 HG23 THR A 65 2.863 -6.561 -9.999 1.00 1.25 H new ATOM 921 N MET A 66 3.855 -7.007 -6.823 1.00 0.68 N ATOM 922 CA MET A 66 3.132 -7.175 -5.574 1.00 0.59 C ATOM 923 C MET A 66 1.653 -6.823 -5.744 1.00 0.51 C ATOM 924 O MET A 66 1.296 -6.039 -6.622 1.00 0.53 O ATOM 925 CB MET A 66 3.751 -6.277 -4.501 1.00 0.56 C ATOM 926 CG MET A 66 4.398 -7.111 -3.393 1.00 0.62 C ATOM 927 SD MET A 66 6.149 -6.772 -3.315 1.00 1.46 S ATOM 928 CE MET A 66 6.694 -7.626 -4.786 1.00 0.79 C ATOM 0 H MET A 66 3.947 -6.041 -7.136 1.00 0.68 H new ATOM 0 HA MET A 66 3.204 -8.220 -5.272 1.00 0.59 H new ATOM 0 HB2 MET A 66 4.498 -5.626 -4.954 1.00 0.56 H new ATOM 0 HB3 MET A 66 2.983 -5.632 -4.074 1.00 0.56 H new ATOM 0 HG2 MET A 66 3.932 -6.881 -2.435 1.00 0.62 H new ATOM 0 HG3 MET A 66 4.233 -8.172 -3.582 1.00 0.62 H new ATOM 0 HE1 MET A 66 7.782 -7.685 -4.791 1.00 0.79 H new ATOM 0 HE2 MET A 66 6.276 -8.633 -4.798 1.00 0.79 H new ATOM 0 HE3 MET A 66 6.356 -7.083 -5.668 1.00 0.79 H new ATOM 938 N VAL A 67 0.833 -7.418 -4.891 1.00 0.47 N ATOM 939 CA VAL A 67 -0.599 -7.176 -4.936 1.00 0.43 C ATOM 940 C VAL A 67 -1.165 -7.227 -3.515 1.00 0.41 C ATOM 941 O VAL A 67 -1.074 -8.254 -2.843 1.00 0.46 O ATOM 942 CB VAL A 67 -1.268 -8.174 -5.883 1.00 0.46 C ATOM 943 CG1 VAL A 67 -2.790 -8.126 -5.742 1.00 1.75 C ATOM 944 CG2 VAL A 67 -0.842 -7.926 -7.331 1.00 1.75 C ATOM 0 H VAL A 67 1.133 -8.068 -4.164 1.00 0.47 H new ATOM 0 HA VAL A 67 -0.807 -6.182 -5.333 1.00 0.43 H new ATOM 0 HB VAL A 67 -0.937 -9.175 -5.605 1.00 0.46 H new ATOM 0 HG11 VAL A 67 -3.242 -8.845 -6.426 1.00 1.75 H new ATOM 0 HG12 VAL A 67 -3.069 -8.375 -4.718 1.00 1.75 H new ATOM 0 HG13 VAL A 67 -3.146 -7.124 -5.982 1.00 1.75 H new ATOM 0 HG21 VAL A 67 -1.332 -8.649 -7.983 1.00 1.75 H new ATOM 0 HG22 VAL A 67 -1.129 -6.917 -7.627 1.00 1.75 H new ATOM 0 HG23 VAL A 67 0.239 -8.035 -7.416 1.00 1.75 H new ATOM 954 N ILE A 68 -1.738 -6.108 -3.101 1.00 0.39 N ATOM 955 CA ILE A 68 -2.320 -6.011 -1.773 1.00 0.39 C ATOM 956 C ILE A 68 -3.808 -6.356 -1.845 1.00 0.38 C ATOM 957 O ILE A 68 -4.560 -5.725 -2.586 1.00 0.40 O ATOM 958 CB ILE A 68 -2.036 -4.637 -1.161 1.00 0.41 C ATOM 959 CG1 ILE A 68 -0.832 -4.694 -0.220 1.00 0.46 C ATOM 960 CG2 ILE A 68 -3.281 -4.079 -0.468 1.00 0.47 C ATOM 961 CD1 ILE A 68 0.481 -4.634 -1.004 1.00 0.47 C ATOM 0 H ILE A 68 -1.812 -5.259 -3.662 1.00 0.39 H new ATOM 0 HA ILE A 68 -1.857 -6.735 -1.102 1.00 0.39 H new ATOM 0 HB ILE A 68 -1.781 -3.949 -1.967 1.00 0.41 H new ATOM 0 HG12 ILE A 68 -0.877 -3.864 0.485 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -0.868 -5.612 0.367 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -3.053 -3.102 -0.041 1.00 0.47 H new ATOM 0 HG22 ILE A 68 -4.087 -3.978 -1.194 1.00 0.47 H new ATOM 0 HG23 ILE A 68 -3.591 -4.758 0.326 1.00 0.47 H new ATOM 0 HD11 ILE A 68 1.321 -4.676 -0.311 1.00 0.47 H new ATOM 0 HD12 ILE A 68 0.534 -5.479 -1.690 1.00 0.47 H new ATOM 0 HD13 ILE A 68 0.524 -3.704 -1.570 1.00 0.47 H new ATOM 973 N THR A 69 -4.189 -7.360 -1.068 1.00 0.41 N ATOM 974 CA THR A 69 -5.574 -7.797 -1.036 1.00 0.44 C ATOM 975 C THR A 69 -6.104 -7.786 0.399 1.00 0.44 C ATOM 976 O THR A 69 -5.696 -8.604 1.223 1.00 0.48 O ATOM 977 CB THR A 69 -5.651 -9.173 -1.700 1.00 0.49 C ATOM 978 OG1 THR A 69 -6.317 -8.924 -2.935 1.00 0.55 O ATOM 979 CG2 THR A 69 -6.587 -10.130 -0.960 1.00 0.51 C ATOM 0 H THR A 69 -3.562 -7.883 -0.456 1.00 0.41 H new ATOM 0 HA THR A 69 -6.216 -7.114 -1.592 1.00 0.44 H new ATOM 0 HB THR A 69 -4.653 -9.608 -1.750 1.00 0.49 H new ATOM 0 HG1 THR A 69 -6.408 -9.763 -3.432 1.00 0.55 H new ATOM 0 HG21 THR A 69 -6.605 -11.091 -1.473 1.00 0.51 H new ATOM 0 HG22 THR A 69 -6.231 -10.270 0.061 1.00 0.51 H new ATOM 0 HG23 THR A 69 -7.593 -9.711 -0.939 1.00 0.51 H new ATOM 987 N PRO A 70 -7.028 -6.823 0.663 1.00 0.46 N ATOM 988 CA PRO A 70 -7.618 -6.695 1.985 1.00 0.47 C ATOM 989 C PRO A 70 -8.645 -7.799 2.238 1.00 0.52 C ATOM 990 O PRO A 70 -9.466 -8.098 1.371 1.00 0.59 O ATOM 991 CB PRO A 70 -8.226 -5.301 2.010 1.00 0.56 C ATOM 992 CG PRO A 70 -8.362 -4.879 0.556 1.00 0.62 C ATOM 993 CD PRO A 70 -7.535 -5.837 -0.286 1.00 0.53 C ATOM 0 HA PRO A 70 -6.887 -6.812 2.785 1.00 0.47 H new ATOM 0 HB2 PRO A 70 -9.196 -5.307 2.507 1.00 0.56 H new ATOM 0 HB3 PRO A 70 -7.590 -4.607 2.560 1.00 0.56 H new ATOM 0 HG2 PRO A 70 -9.407 -4.904 0.247 1.00 0.62 H new ATOM 0 HG3 PRO A 70 -8.014 -3.855 0.422 1.00 0.62 H new ATOM 0 HD2 PRO A 70 -8.141 -6.308 -1.060 1.00 0.53 H new ATOM 0 HD3 PRO A 70 -6.720 -5.318 -0.791 1.00 0.53 H new ATOM 1001 N ALA A 71 -8.567 -8.376 3.428 1.00 0.54 N ATOM 1002 CA ALA A 71 -9.480 -9.441 3.805 1.00 0.63 C ATOM 1003 C ALA A 71 -10.866 -8.851 4.067 1.00 0.68 C ATOM 1004 O ALA A 71 -11.867 -9.564 4.025 1.00 0.88 O ATOM 1005 CB ALA A 71 -8.924 -10.183 5.022 1.00 0.72 C ATOM 0 H ALA A 71 -7.885 -8.126 4.144 1.00 0.54 H new ATOM 0 HA ALA A 71 -9.578 -10.166 2.997 1.00 0.63 H new ATOM 0 HB1 ALA A 71 -9.609 -10.982 5.305 1.00 0.72 H new ATOM 0 HB2 ALA A 71 -7.951 -10.609 4.775 1.00 0.72 H new ATOM 0 HB3 ALA A 71 -8.815 -9.487 5.854 1.00 0.72 H new ATOM 1011 N SER A 72 -10.881 -7.551 4.330 1.00 0.62 N ATOM 1012 CA SER A 72 -12.129 -6.857 4.598 1.00 0.68 C ATOM 1013 C SER A 72 -12.484 -5.947 3.420 1.00 0.67 C ATOM 1014 O SER A 72 -11.601 -5.484 2.700 1.00 0.67 O ATOM 1015 CB SER A 72 -12.039 -6.042 5.890 1.00 0.70 C ATOM 1016 OG SER A 72 -13.095 -6.357 6.793 1.00 0.86 O ATOM 0 H SER A 72 -10.049 -6.962 4.363 1.00 0.62 H new ATOM 0 HA SER A 72 -12.915 -7.602 4.724 1.00 0.68 H new ATOM 0 HB2 SER A 72 -11.080 -6.232 6.373 1.00 0.70 H new ATOM 0 HB3 SER A 72 -12.071 -4.979 5.651 1.00 0.70 H new ATOM 0 HG SER A 72 -13.002 -5.818 7.606 1.00 0.86 H new ATOM 1022 N PRO A 73 -13.814 -5.711 3.257 1.00 0.73 N ATOM 1023 CA PRO A 73 -14.297 -4.865 2.178 1.00 0.78 C ATOM 1024 C PRO A 73 -14.038 -3.389 2.482 1.00 0.71 C ATOM 1025 O PRO A 73 -14.307 -2.922 3.589 1.00 0.70 O ATOM 1026 CB PRO A 73 -15.776 -5.195 2.052 1.00 0.89 C ATOM 1027 CG PRO A 73 -16.166 -5.865 3.359 1.00 0.90 C ATOM 1028 CD PRO A 73 -14.889 -6.243 4.090 1.00 0.81 C ATOM 0 HA PRO A 73 -13.780 -5.048 1.236 1.00 0.78 H new ATOM 0 HB2 PRO A 73 -16.365 -4.293 1.885 1.00 0.89 H new ATOM 0 HB3 PRO A 73 -15.958 -5.856 1.205 1.00 0.89 H new ATOM 0 HG2 PRO A 73 -16.769 -5.191 3.968 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -16.772 -6.750 3.168 1.00 0.90 H new ATOM 0 HD2 PRO A 73 -14.864 -5.813 5.091 1.00 0.81 H new ATOM 0 HD3 PRO A 73 -14.803 -7.324 4.205 1.00 0.81 H new ATOM 1036 N LEU A 74 -13.517 -2.694 1.482 1.00 0.75 N ATOM 1037 CA LEU A 74 -13.218 -1.279 1.628 1.00 0.75 C ATOM 1038 C LEU A 74 -14.491 -0.466 1.387 1.00 0.78 C ATOM 1039 O LEU A 74 -15.040 -0.477 0.286 1.00 0.85 O ATOM 1040 CB LEU A 74 -12.052 -0.881 0.721 1.00 0.82 C ATOM 1041 CG LEU A 74 -10.742 -1.642 0.939 1.00 0.79 C ATOM 1042 CD1 LEU A 74 -9.811 -1.486 -0.265 1.00 0.93 C ATOM 1043 CD2 LEU A 74 -10.070 -1.213 2.244 1.00 0.71 C ATOM 0 H LEU A 74 -13.294 -3.084 0.566 1.00 0.75 H new ATOM 0 HA LEU A 74 -12.889 -1.062 2.644 1.00 0.75 H new ATOM 0 HB2 LEU A 74 -12.361 -1.018 -0.315 1.00 0.82 H new ATOM 0 HB3 LEU A 74 -11.858 0.183 0.858 1.00 0.82 H new ATOM 0 HG LEU A 74 -10.974 -2.703 1.031 1.00 0.79 H new ATOM 0 HD11 LEU A 74 -8.888 -2.036 -0.085 1.00 0.93 H new ATOM 0 HD12 LEU A 74 -10.300 -1.880 -1.156 1.00 0.93 H new ATOM 0 HD13 LEU A 74 -9.582 -0.431 -0.413 1.00 0.93 H new ATOM 0 HD21 LEU A 74 -9.141 -1.769 2.375 1.00 0.71 H new ATOM 0 HD22 LEU A 74 -9.852 -0.146 2.207 1.00 0.71 H new ATOM 0 HD23 LEU A 74 -10.737 -1.419 3.081 1.00 0.71 H new ATOM 1055 N THR A 75 -14.924 0.221 2.434 1.00 0.75 N ATOM 1056 CA THR A 75 -16.122 1.038 2.349 1.00 0.79 C ATOM 1057 C THR A 75 -15.751 2.515 2.200 1.00 0.72 C ATOM 1058 O THR A 75 -14.601 2.894 2.413 1.00 0.74 O ATOM 1059 CB THR A 75 -16.980 0.750 3.583 1.00 1.01 C ATOM 1060 OG1 THR A 75 -16.323 1.452 4.634 1.00 1.06 O ATOM 1061 CG2 THR A 75 -16.910 -0.717 4.015 1.00 0.93 C ATOM 0 H THR A 75 -14.466 0.228 3.346 1.00 0.75 H new ATOM 0 HA THR A 75 -16.707 0.790 1.463 1.00 0.79 H new ATOM 0 HB THR A 75 -18.016 1.019 3.376 1.00 1.01 H new ATOM 0 HG1 THR A 75 -16.814 1.321 5.472 1.00 1.06 H new ATOM 0 HG21 THR A 75 -17.536 -0.868 4.894 1.00 0.93 H new ATOM 0 HG22 THR A 75 -17.265 -1.353 3.204 1.00 0.93 H new ATOM 0 HG23 THR A 75 -15.879 -0.977 4.255 1.00 0.93 H new ATOM 1069 N ALA A 76 -16.747 3.308 1.835 1.00 0.72 N ATOM 1070 CA ALA A 76 -16.540 4.735 1.655 1.00 0.70 C ATOM 1071 C ALA A 76 -15.629 5.258 2.766 1.00 0.78 C ATOM 1072 O ALA A 76 -15.566 4.676 3.848 1.00 0.96 O ATOM 1073 CB ALA A 76 -17.893 5.448 1.626 1.00 0.73 C ATOM 0 H ALA A 76 -17.700 2.990 1.659 1.00 0.72 H new ATOM 0 HA ALA A 76 -16.047 4.934 0.704 1.00 0.70 H new ATOM 0 HB1 ALA A 76 -17.737 6.518 1.491 1.00 0.73 H new ATOM 0 HB2 ALA A 76 -18.490 5.061 0.800 1.00 0.73 H new ATOM 0 HB3 ALA A 76 -18.417 5.273 2.566 1.00 0.73 H new ATOM 1079 N GLY A 77 -14.944 6.352 2.462 1.00 0.75 N ATOM 1080 CA GLY A 77 -14.039 6.960 3.422 1.00 0.86 C ATOM 1081 C GLY A 77 -12.730 7.380 2.751 1.00 0.72 C ATOM 1082 O GLY A 77 -12.693 7.615 1.545 1.00 0.67 O ATOM 0 H GLY A 77 -14.998 6.832 1.564 1.00 0.75 H new ATOM 0 HA2 GLY A 77 -14.515 7.830 3.876 1.00 0.86 H new ATOM 0 HA3 GLY A 77 -13.830 6.255 4.227 1.00 0.86 H new ATOM 1086 N THR A 78 -11.686 7.462 3.563 1.00 0.73 N ATOM 1087 CA THR A 78 -10.378 7.849 3.064 1.00 0.64 C ATOM 1088 C THR A 78 -9.282 7.034 3.750 1.00 0.51 C ATOM 1089 O THR A 78 -9.252 6.933 4.976 1.00 0.48 O ATOM 1090 CB THR A 78 -10.225 9.359 3.260 1.00 0.77 C ATOM 1091 OG1 THR A 78 -10.895 9.925 2.136 1.00 0.76 O ATOM 1092 CG2 THR A 78 -8.777 9.826 3.105 1.00 0.91 C ATOM 0 H THR A 78 -11.720 7.267 4.564 1.00 0.73 H new ATOM 0 HA THR A 78 -10.282 7.633 2.000 1.00 0.64 H new ATOM 0 HB THR A 78 -10.591 9.635 4.249 1.00 0.77 H new ATOM 0 HG1 THR A 78 -11.444 9.239 1.703 1.00 0.76 H new ATOM 0 HG21 THR A 78 -8.725 10.905 3.254 1.00 0.91 H new ATOM 0 HG22 THR A 78 -8.152 9.327 3.846 1.00 0.91 H new ATOM 0 HG23 THR A 78 -8.420 9.580 2.105 1.00 0.91 H new ATOM 1100 N TYR A 79 -8.405 6.470 2.930 1.00 0.49 N ATOM 1101 CA TYR A 79 -7.310 5.666 3.444 1.00 0.40 C ATOM 1102 C TYR A 79 -5.991 6.036 2.760 1.00 0.37 C ATOM 1103 O TYR A 79 -5.973 6.848 1.837 1.00 0.46 O ATOM 1104 CB TYR A 79 -7.657 4.215 3.105 1.00 0.40 C ATOM 1105 CG TYR A 79 -9.108 3.836 3.408 1.00 0.42 C ATOM 1106 CD1 TYR A 79 -10.134 4.393 2.673 1.00 1.65 C ATOM 1107 CD2 TYR A 79 -9.390 2.938 4.417 1.00 1.75 C ATOM 1108 CE1 TYR A 79 -11.500 4.035 2.957 1.00 1.71 C ATOM 1109 CE2 TYR A 79 -10.755 2.581 4.701 1.00 1.75 C ATOM 1110 CZ TYR A 79 -11.743 3.147 3.958 1.00 0.61 C ATOM 1111 OH TYR A 79 -13.033 2.809 4.227 1.00 0.74 O ATOM 0 H TYR A 79 -8.432 6.555 1.914 1.00 0.49 H new ATOM 0 HA TYR A 79 -7.185 5.827 4.515 1.00 0.40 H new ATOM 0 HB2 TYR A 79 -7.460 4.043 2.047 1.00 0.40 H new ATOM 0 HB3 TYR A 79 -6.995 3.554 3.664 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -9.913 5.097 1.885 1.00 1.65 H new ATOM 0 HD2 TYR A 79 -8.587 2.503 4.993 1.00 1.75 H new ATOM 0 HE1 TYR A 79 -12.313 4.462 2.388 1.00 1.71 H new ATOM 0 HE2 TYR A 79 -10.989 1.879 5.487 1.00 1.75 H new ATOM 0 HH TYR A 79 -13.512 2.652 3.387 1.00 0.74 H new ATOM 1121 N LYS A 80 -4.920 5.421 3.241 1.00 0.41 N ATOM 1122 CA LYS A 80 -3.601 5.675 2.688 1.00 0.45 C ATOM 1123 C LYS A 80 -2.770 4.392 2.751 1.00 0.45 C ATOM 1124 O LYS A 80 -2.469 3.897 3.836 1.00 0.47 O ATOM 1125 CB LYS A 80 -2.946 6.868 3.388 1.00 0.51 C ATOM 1126 CG LYS A 80 -1.438 6.892 3.134 1.00 1.09 C ATOM 1127 CD LYS A 80 -0.662 6.602 4.421 1.00 2.01 C ATOM 1128 CE LYS A 80 -0.542 7.859 5.284 1.00 2.29 C ATOM 1129 NZ LYS A 80 0.818 8.433 5.180 1.00 2.52 N ATOM 0 H LYS A 80 -4.939 4.748 4.007 1.00 0.41 H new ATOM 0 HA LYS A 80 -3.676 5.955 1.637 1.00 0.45 H new ATOM 0 HB2 LYS A 80 -3.394 7.795 3.030 1.00 0.51 H new ATOM 0 HB3 LYS A 80 -3.137 6.815 4.460 1.00 0.51 H new ATOM 0 HG2 LYS A 80 -1.181 6.153 2.375 1.00 1.09 H new ATOM 0 HG3 LYS A 80 -1.147 7.866 2.741 1.00 1.09 H new ATOM 0 HD2 LYS A 80 -1.166 5.817 4.984 1.00 2.01 H new ATOM 0 HD3 LYS A 80 0.332 6.230 4.174 1.00 2.01 H new ATOM 0 HE2 LYS A 80 -1.279 8.596 4.967 1.00 2.29 H new ATOM 0 HE3 LYS A 80 -0.762 7.616 6.324 1.00 2.29 H new ATOM 0 HZ1 LYS A 80 0.881 9.286 5.772 1.00 2.52 H new ATOM 0 HZ2 LYS A 80 1.516 7.733 5.505 1.00 2.52 H new ATOM 0 HZ3 LYS A 80 1.014 8.684 4.190 1.00 2.52 H new ATOM 1143 N VAL A 81 -2.423 3.891 1.576 1.00 0.47 N ATOM 1144 CA VAL A 81 -1.632 2.675 1.485 1.00 0.51 C ATOM 1145 C VAL A 81 -0.148 3.026 1.597 1.00 0.51 C ATOM 1146 O VAL A 81 0.436 3.573 0.662 1.00 0.60 O ATOM 1147 CB VAL A 81 -1.973 1.923 0.196 1.00 0.56 C ATOM 1148 CG1 VAL A 81 -1.193 0.611 0.104 1.00 0.65 C ATOM 1149 CG2 VAL A 81 -3.479 1.676 0.088 1.00 0.65 C ATOM 0 H VAL A 81 -2.675 4.304 0.678 1.00 0.47 H new ATOM 0 HA VAL A 81 -1.870 2.003 2.310 1.00 0.51 H new ATOM 0 HB VAL A 81 -1.675 2.548 -0.646 1.00 0.56 H new ATOM 0 HG11 VAL A 81 -1.454 0.097 -0.821 1.00 0.65 H new ATOM 0 HG12 VAL A 81 -0.124 0.822 0.113 1.00 0.65 H new ATOM 0 HG13 VAL A 81 -1.445 -0.022 0.955 1.00 0.65 H new ATOM 0 HG21 VAL A 81 -3.694 1.140 -0.837 1.00 0.65 H new ATOM 0 HG22 VAL A 81 -3.812 1.081 0.938 1.00 0.65 H new ATOM 0 HG23 VAL A 81 -4.005 2.631 0.085 1.00 0.65 H new ATOM 1159 N ASP A 82 0.420 2.699 2.748 1.00 0.49 N ATOM 1160 CA ASP A 82 1.826 2.975 2.995 1.00 0.51 C ATOM 1161 C ASP A 82 2.653 1.740 2.633 1.00 0.54 C ATOM 1162 O ASP A 82 2.590 0.722 3.323 1.00 0.58 O ATOM 1163 CB ASP A 82 2.074 3.296 4.469 1.00 0.56 C ATOM 1164 CG ASP A 82 0.845 3.779 5.242 1.00 0.91 C ATOM 1165 OD1 ASP A 82 -0.255 3.225 5.103 1.00 2.37 O ATOM 1166 OD2 ASP A 82 1.053 4.783 6.024 1.00 1.17 O ATOM 0 H ASP A 82 -0.068 2.245 3.521 1.00 0.49 H new ATOM 0 HA ASP A 82 2.114 3.833 2.387 1.00 0.51 H new ATOM 0 HB2 ASP A 82 2.465 2.404 4.959 1.00 0.56 H new ATOM 0 HB3 ASP A 82 2.848 4.060 4.533 1.00 0.56 H new ATOM 1171 N TRP A 83 3.411 1.868 1.554 1.00 0.61 N ATOM 1172 CA TRP A 83 4.250 0.776 1.094 1.00 0.67 C ATOM 1173 C TRP A 83 5.701 1.116 1.438 1.00 0.69 C ATOM 1174 O TRP A 83 6.056 2.287 1.560 1.00 0.69 O ATOM 1175 CB TRP A 83 4.037 0.512 -0.399 1.00 0.71 C ATOM 1176 CG TRP A 83 4.177 1.757 -1.277 1.00 0.70 C ATOM 1177 CD1 TRP A 83 3.200 2.513 -1.797 1.00 0.69 C ATOM 1178 CD2 TRP A 83 5.409 2.363 -1.720 1.00 0.73 C ATOM 1179 NE1 TRP A 83 3.711 3.559 -2.539 1.00 0.72 N ATOM 1180 CE2 TRP A 83 5.097 3.465 -2.491 1.00 0.75 C ATOM 1181 CE3 TRP A 83 6.744 1.993 -1.477 1.00 0.77 C ATOM 1182 CZ2 TRP A 83 6.065 4.286 -3.082 1.00 0.80 C ATOM 1183 CZ3 TRP A 83 7.699 2.824 -2.074 1.00 0.83 C ATOM 1184 CH2 TRP A 83 7.402 3.936 -2.853 1.00 0.84 C ATOM 0 H TRP A 83 3.461 2.713 0.985 1.00 0.61 H new ATOM 0 HA TRP A 83 3.982 -0.153 1.596 1.00 0.67 H new ATOM 0 HB2 TRP A 83 4.756 -0.237 -0.731 1.00 0.71 H new ATOM 0 HB3 TRP A 83 3.044 0.087 -0.544 1.00 0.71 H new ATOM 0 HD1 TRP A 83 2.146 2.327 -1.654 1.00 0.69 H new ATOM 0 HE1 TRP A 83 3.171 4.270 -3.032 1.00 0.72 H new ATOM 0 HE3 TRP A 83 7.011 1.136 -0.877 1.00 0.77 H new ATOM 0 HZ2 TRP A 83 5.796 5.143 -3.682 1.00 0.80 H new ATOM 0 HZ3 TRP A 83 8.740 2.584 -1.918 1.00 0.83 H new ATOM 0 HH2 TRP A 83 8.198 4.528 -3.280 1.00 0.84 H new ATOM 1195 N ARG A 84 6.501 0.071 1.587 1.00 0.75 N ATOM 1196 CA ARG A 84 7.905 0.243 1.917 1.00 0.80 C ATOM 1197 C ARG A 84 8.741 -0.871 1.284 1.00 0.78 C ATOM 1198 O ARG A 84 8.399 -2.048 1.397 1.00 0.84 O ATOM 1199 CB ARG A 84 8.122 0.236 3.431 1.00 0.91 C ATOM 1200 CG ARG A 84 7.865 1.620 4.028 1.00 1.05 C ATOM 1201 CD ARG A 84 7.788 1.554 5.555 1.00 1.31 C ATOM 1202 NE ARG A 84 6.818 2.552 6.058 1.00 1.94 N ATOM 1203 CZ ARG A 84 6.752 2.963 7.343 1.00 2.54 C ATOM 1204 NH1 ARG A 84 7.600 2.464 8.267 1.00 3.03 N ATOM 1205 NH2 ARG A 84 5.844 3.859 7.681 1.00 3.58 N ATOM 0 H ARG A 84 6.203 -0.899 1.485 1.00 0.75 H new ATOM 0 HA ARG A 84 8.221 1.208 1.521 1.00 0.80 H new ATOM 0 HB2 ARG A 84 7.457 -0.493 3.894 1.00 0.91 H new ATOM 0 HB3 ARG A 84 9.142 -0.077 3.654 1.00 0.91 H new ATOM 0 HG2 ARG A 84 8.661 2.302 3.730 1.00 1.05 H new ATOM 0 HG3 ARG A 84 6.934 2.024 3.631 1.00 1.05 H new ATOM 0 HD2 ARG A 84 7.489 0.554 5.869 1.00 1.31 H new ATOM 0 HD3 ARG A 84 8.772 1.742 5.985 1.00 1.31 H new ATOM 0 HE ARG A 84 6.158 2.955 5.393 1.00 1.94 H new ATOM 0 HH11 ARG A 84 8.298 1.771 7.997 1.00 3.03 H new ATOM 0 HH12 ARG A 84 7.543 2.780 9.235 1.00 3.03 H new ATOM 0 HH21 ARG A 84 5.206 4.230 6.976 1.00 3.58 H new ATOM 0 HH22 ARG A 84 5.780 4.181 8.647 1.00 3.58 H new ATOM 1324 N ILE A 93 13.420 2.443 1.521 1.00 0.94 N ATOM 1325 CA ILE A 93 12.592 3.456 0.891 1.00 1.02 C ATOM 1326 C ILE A 93 11.141 3.276 1.341 1.00 0.85 C ATOM 1327 O ILE A 93 10.675 2.150 1.511 1.00 0.98 O ATOM 1328 CB ILE A 93 12.773 3.428 -0.628 1.00 1.33 C ATOM 1329 CG1 ILE A 93 14.045 4.169 -1.042 1.00 2.27 C ATOM 1330 CG2 ILE A 93 11.533 3.976 -1.338 1.00 1.80 C ATOM 1331 CD1 ILE A 93 14.028 5.614 -0.538 1.00 4.13 C ATOM 0 HA ILE A 93 12.903 4.452 1.207 1.00 1.02 H new ATOM 0 HB ILE A 93 12.890 2.390 -0.939 1.00 1.33 H new ATOM 0 HG12 ILE A 93 14.917 3.651 -0.643 1.00 2.27 H new ATOM 0 HG13 ILE A 93 14.138 4.160 -2.128 1.00 2.27 H new ATOM 0 HG21 ILE A 93 11.688 3.945 -2.417 1.00 1.80 H new ATOM 0 HG22 ILE A 93 10.666 3.368 -1.078 1.00 1.80 H new ATOM 0 HG23 ILE A 93 11.360 5.006 -1.026 1.00 1.80 H new ATOM 0 HD11 ILE A 93 14.944 6.118 -0.846 1.00 4.13 H new ATOM 0 HD12 ILE A 93 13.168 6.136 -0.958 1.00 4.13 H new ATOM 0 HD13 ILE A 93 13.960 5.619 0.550 1.00 4.13 H new ATOM 1343 N THR A 94 10.466 4.401 1.521 1.00 0.85 N ATOM 1344 CA THR A 94 9.077 4.381 1.948 1.00 0.76 C ATOM 1345 C THR A 94 8.184 5.035 0.892 1.00 0.69 C ATOM 1346 O THR A 94 8.680 5.665 -0.043 1.00 0.81 O ATOM 1347 CB THR A 94 8.994 5.059 3.318 1.00 0.88 C ATOM 1348 OG1 THR A 94 9.312 6.421 3.052 1.00 1.14 O ATOM 1349 CG2 THR A 94 10.100 4.596 4.267 1.00 1.09 C ATOM 0 H THR A 94 10.855 5.333 1.379 1.00 0.85 H new ATOM 0 HA THR A 94 8.710 3.360 2.051 1.00 0.76 H new ATOM 0 HB THR A 94 8.022 4.854 3.766 1.00 0.88 H new ATOM 0 HG1 THR A 94 9.280 6.933 3.887 1.00 1.14 H new ATOM 0 HG21 THR A 94 9.996 5.107 5.224 1.00 1.09 H new ATOM 0 HG22 THR A 94 10.021 3.520 4.420 1.00 1.09 H new ATOM 0 HG23 THR A 94 11.073 4.831 3.834 1.00 1.09 H new ATOM 1357 N GLY A 95 6.883 4.864 1.073 1.00 0.70 N ATOM 1358 CA GLY A 95 5.917 5.430 0.148 1.00 0.65 C ATOM 1359 C GLY A 95 4.497 5.334 0.710 1.00 0.66 C ATOM 1360 O GLY A 95 4.235 4.538 1.610 1.00 0.76 O ATOM 0 H GLY A 95 6.475 4.341 1.848 1.00 0.70 H new ATOM 0 HA2 GLY A 95 6.164 6.473 -0.048 1.00 0.65 H new ATOM 0 HA3 GLY A 95 5.971 4.905 -0.806 1.00 0.65 H new ATOM 1364 N SER A 96 3.618 6.156 0.156 1.00 0.64 N ATOM 1365 CA SER A 96 2.232 6.173 0.590 1.00 0.68 C ATOM 1366 C SER A 96 1.323 6.565 -0.576 1.00 0.66 C ATOM 1367 O SER A 96 1.669 7.438 -1.371 1.00 0.80 O ATOM 1368 CB SER A 96 2.035 7.134 1.763 1.00 0.78 C ATOM 1369 OG SER A 96 3.255 7.759 2.153 1.00 1.15 O ATOM 0 H SER A 96 3.839 6.815 -0.590 1.00 0.64 H new ATOM 0 HA SER A 96 1.967 5.171 0.927 1.00 0.68 H new ATOM 0 HB2 SER A 96 1.308 7.898 1.487 1.00 0.78 H new ATOM 0 HB3 SER A 96 1.619 6.590 2.611 1.00 0.78 H new ATOM 0 HG SER A 96 3.086 8.366 2.904 1.00 1.15 H new ATOM 1375 N VAL A 97 0.178 5.903 -0.642 1.00 0.54 N ATOM 1376 CA VAL A 97 -0.784 6.172 -1.697 1.00 0.52 C ATOM 1377 C VAL A 97 -2.157 6.435 -1.076 1.00 0.48 C ATOM 1378 O VAL A 97 -2.843 5.504 -0.658 1.00 0.46 O ATOM 1379 CB VAL A 97 -0.795 5.017 -2.702 1.00 0.51 C ATOM 1380 CG1 VAL A 97 -1.635 5.369 -3.931 1.00 0.57 C ATOM 1381 CG2 VAL A 97 0.629 4.627 -3.104 1.00 0.58 C ATOM 0 H VAL A 97 -0.106 5.180 0.019 1.00 0.54 H new ATOM 0 HA VAL A 97 -0.501 7.067 -2.252 1.00 0.52 H new ATOM 0 HB VAL A 97 -1.254 4.155 -2.218 1.00 0.51 H new ATOM 0 HG11 VAL A 97 -1.627 4.532 -4.629 1.00 0.57 H new ATOM 0 HG12 VAL A 97 -2.660 5.575 -3.624 1.00 0.57 H new ATOM 0 HG13 VAL A 97 -1.217 6.251 -4.417 1.00 0.57 H new ATOM 0 HG21 VAL A 97 0.593 3.805 -3.818 1.00 0.58 H new ATOM 0 HG22 VAL A 97 1.125 5.483 -3.561 1.00 0.58 H new ATOM 0 HG23 VAL A 97 1.184 4.315 -2.219 1.00 0.58 H new ATOM 1391 N THR A 98 -2.516 7.710 -1.033 1.00 0.51 N ATOM 1392 CA THR A 98 -3.795 8.109 -0.469 1.00 0.50 C ATOM 1393 C THR A 98 -4.900 7.995 -1.521 1.00 0.48 C ATOM 1394 O THR A 98 -4.683 8.307 -2.690 1.00 0.51 O ATOM 1395 CB THR A 98 -3.640 9.520 0.101 1.00 0.56 C ATOM 1396 OG1 THR A 98 -4.709 9.635 1.037 1.00 0.55 O ATOM 1397 CG2 THR A 98 -3.935 10.605 -0.936 1.00 0.72 C ATOM 0 H THR A 98 -1.944 8.480 -1.379 1.00 0.51 H new ATOM 0 HA THR A 98 -4.094 7.446 0.343 1.00 0.50 H new ATOM 0 HB THR A 98 -2.627 9.648 0.483 1.00 0.56 H new ATOM 0 HG1 THR A 98 -4.975 8.742 1.341 1.00 0.55 H new ATOM 0 HG21 THR A 98 -3.811 11.587 -0.480 1.00 0.72 H new ATOM 0 HG22 THR A 98 -3.246 10.504 -1.774 1.00 0.72 H new ATOM 0 HG23 THR A 98 -4.959 10.498 -1.293 1.00 0.72 H new ATOM 1405 N PHE A 99 -6.062 7.547 -1.067 1.00 0.47 N ATOM 1406 CA PHE A 99 -7.201 7.389 -1.953 1.00 0.47 C ATOM 1407 C PHE A 99 -8.517 7.523 -1.185 1.00 0.47 C ATOM 1408 O PHE A 99 -8.589 7.179 -0.007 1.00 0.46 O ATOM 1409 CB PHE A 99 -7.113 5.982 -2.548 1.00 0.42 C ATOM 1410 CG PHE A 99 -7.501 4.869 -1.572 1.00 0.38 C ATOM 1411 CD1 PHE A 99 -8.800 4.715 -1.199 1.00 1.91 C ATOM 1412 CD2 PHE A 99 -6.548 4.035 -1.078 1.00 1.58 C ATOM 1413 CE1 PHE A 99 -9.161 3.682 -0.294 1.00 1.89 C ATOM 1414 CE2 PHE A 99 -6.908 3.001 -0.173 1.00 1.60 C ATOM 1415 CZ PHE A 99 -8.207 2.847 0.201 1.00 0.36 C ATOM 0 H PHE A 99 -6.238 7.289 -0.096 1.00 0.47 H new ATOM 0 HA PHE A 99 -7.182 8.159 -2.724 1.00 0.47 H new ATOM 0 HB2 PHE A 99 -7.761 5.927 -3.422 1.00 0.42 H new ATOM 0 HB3 PHE A 99 -6.094 5.808 -2.895 1.00 0.42 H new ATOM 0 HD1 PHE A 99 -9.557 5.378 -1.591 1.00 1.91 H new ATOM 0 HD2 PHE A 99 -5.517 4.159 -1.374 1.00 1.58 H new ATOM 0 HE1 PHE A 99 -10.192 3.559 0.001 1.00 1.89 H new ATOM 0 HE2 PHE A 99 -6.151 2.337 0.218 1.00 1.60 H new ATOM 0 HZ PHE A 99 -8.481 2.062 0.891 1.00 0.36 H new ATOM 1425 N LYS A 100 -9.524 8.026 -1.884 1.00 0.52 N ATOM 1426 CA LYS A 100 -10.835 8.210 -1.282 1.00 0.55 C ATOM 1427 C LYS A 100 -11.778 7.114 -1.780 1.00 0.52 C ATOM 1428 O LYS A 100 -11.473 6.420 -2.748 1.00 0.50 O ATOM 1429 CB LYS A 100 -11.347 9.628 -1.541 1.00 0.66 C ATOM 1430 CG LYS A 100 -10.397 10.672 -0.949 1.00 0.56 C ATOM 1431 CD LYS A 100 -10.915 12.089 -1.200 1.00 1.21 C ATOM 1432 CE LYS A 100 -12.068 12.426 -0.252 1.00 2.31 C ATOM 1433 NZ LYS A 100 -12.719 13.693 -0.657 1.00 2.92 N ATOM 0 H LYS A 100 -9.459 8.312 -2.861 1.00 0.52 H new ATOM 0 HA LYS A 100 -10.775 8.110 -0.198 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -11.449 9.791 -2.614 1.00 0.66 H new ATOM 0 HB3 LYS A 100 -12.339 9.745 -1.105 1.00 0.66 H new ATOM 0 HG2 LYS A 100 -10.289 10.505 0.123 1.00 0.56 H new ATOM 0 HG3 LYS A 100 -9.407 10.559 -1.390 1.00 0.56 H new ATOM 0 HD2 LYS A 100 -10.105 12.806 -1.063 1.00 1.21 H new ATOM 0 HD3 LYS A 100 -11.250 12.180 -2.233 1.00 1.21 H new ATOM 0 HE2 LYS A 100 -12.799 11.617 -0.257 1.00 2.31 H new ATOM 0 HE3 LYS A 100 -11.694 12.512 0.768 1.00 2.31 H new ATOM 0 HZ1 LYS A 100 -13.499 13.907 -0.003 1.00 2.92 H new ATOM 0 HZ2 LYS A 100 -12.023 14.465 -0.630 1.00 2.92 H new ATOM 0 HZ3 LYS A 100 -13.093 13.598 -1.623 1.00 2.92 H new ATOM 1447 N VAL A 101 -12.906 6.993 -1.095 1.00 0.52 N ATOM 1448 CA VAL A 101 -13.897 5.993 -1.455 1.00 0.51 C ATOM 1449 C VAL A 101 -15.298 6.560 -1.213 1.00 0.59 C ATOM 1450 O VAL A 101 -15.627 6.954 -0.095 1.00 0.61 O ATOM 1451 CB VAL A 101 -13.635 4.697 -0.687 1.00 0.46 C ATOM 1452 CG1 VAL A 101 -14.760 3.686 -0.918 1.00 0.53 C ATOM 1453 CG2 VAL A 101 -12.276 4.101 -1.064 1.00 0.46 C ATOM 0 H VAL A 101 -13.156 7.571 -0.293 1.00 0.52 H new ATOM 0 HA VAL A 101 -13.825 5.747 -2.514 1.00 0.51 H new ATOM 0 HB VAL A 101 -13.613 4.936 0.376 1.00 0.46 H new ATOM 0 HG11 VAL A 101 -14.549 2.773 -0.361 1.00 0.53 H new ATOM 0 HG12 VAL A 101 -15.705 4.109 -0.577 1.00 0.53 H new ATOM 0 HG13 VAL A 101 -14.828 3.454 -1.981 1.00 0.53 H new ATOM 0 HG21 VAL A 101 -12.115 3.180 -0.504 1.00 0.46 H new ATOM 0 HG22 VAL A 101 -12.258 3.884 -2.132 1.00 0.46 H new ATOM 0 HG23 VAL A 101 -11.487 4.814 -0.825 1.00 0.46 H new ATOM 1463 N LYS A 102 -16.085 6.580 -2.279 1.00 0.67 N ATOM 1464 CA LYS A 102 -17.443 7.091 -2.196 1.00 0.77 C ATOM 1465 C LYS A 102 -18.430 5.941 -2.408 1.00 0.83 C ATOM 1466 O LYS A 102 -19.416 5.823 -1.684 1.00 1.32 O ATOM 1467 CB LYS A 102 -17.637 8.256 -3.168 1.00 0.85 C ATOM 1468 CG LYS A 102 -16.452 9.223 -3.109 1.00 0.75 C ATOM 1469 CD LYS A 102 -16.932 10.672 -2.998 1.00 0.93 C ATOM 1470 CE LYS A 102 -17.030 11.106 -1.534 1.00 2.01 C ATOM 1471 NZ LYS A 102 -16.007 12.131 -1.228 1.00 2.47 N ATOM 1472 OXT LYS A 102 -18.258 4.860 -1.849 1.00 1.16 O ATOM 0 H LYS A 102 -15.809 6.251 -3.204 1.00 0.67 H new ATOM 0 HA LYS A 102 -17.637 7.499 -1.204 1.00 0.77 H new ATOM 0 HB2 LYS A 102 -17.748 7.873 -4.182 1.00 0.85 H new ATOM 0 HB3 LYS A 102 -18.557 8.788 -2.925 1.00 0.85 H new ATOM 0 HG2 LYS A 102 -15.821 8.979 -2.255 1.00 0.75 H new ATOM 0 HG3 LYS A 102 -15.838 9.107 -4.002 1.00 0.75 H new ATOM 0 HD2 LYS A 102 -16.244 11.329 -3.530 1.00 0.93 H new ATOM 0 HD3 LYS A 102 -17.906 10.774 -3.477 1.00 0.93 H new ATOM 0 HE2 LYS A 102 -18.024 11.504 -1.332 1.00 2.01 H new ATOM 0 HE3 LYS A 102 -16.895 10.243 -0.883 1.00 2.01 H new ATOM 0 HZ1 LYS A 102 -16.087 12.415 -0.231 1.00 2.47 H new ATOM 0 HZ2 LYS A 102 -15.060 11.738 -1.401 1.00 2.47 H new ATOM 0 HZ3 LYS A 102 -16.154 12.961 -1.837 1.00 2.47 H new