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 80 LYS NZ :NH3+ 133:sc= -1.64! (180deg=-4.15!) USER MOD Set 1.2: A 96 SER OG : rot -160:sc=-0.00306 USER MOD Set 2.1: A 78 THR OG1 : rot 170:sc= -1.29 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 79 TYR OH : rot 19:sc= 1.22 USER MOD Set 4.1: A 24 HIS : no HD1:sc= 0.496 K(o=1.1,f=-2.6) USER MOD Set 4.2: A 65 THR OG1 : rot -71:sc= 0.558 USER MOD Single : A 6 SER OG : rot 180:sc= -0.731 USER MOD Single : A 7 SER OG : rot 180:sc= -3.35! 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= -0.049 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 -61:sc= 0.153 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=-0.251) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.381 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00673 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 102 LYS NZ :NH3+ -145:sc=-0.00411 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 10.096 3.100 -5.875 1.00 1.07 N ATOM 57 CA LEU A 4 9.042 2.259 -6.419 1.00 0.73 C ATOM 58 C LEU A 4 8.944 2.486 -7.929 1.00 0.70 C ATOM 59 O LEU A 4 8.457 3.525 -8.373 1.00 0.80 O ATOM 60 CB LEU A 4 7.728 2.497 -5.674 1.00 1.54 C ATOM 61 CG LEU A 4 6.538 1.646 -6.123 1.00 0.69 C ATOM 62 CD1 LEU A 4 5.520 2.489 -6.894 1.00 1.29 C ATOM 63 CD2 LEU A 4 7.006 0.433 -6.929 1.00 0.63 C ATOM 0 HA LEU A 4 9.279 1.206 -6.269 1.00 0.73 H new ATOM 0 HB2 LEU A 4 7.898 2.317 -4.612 1.00 1.54 H new ATOM 0 HB3 LEU A 4 7.458 3.548 -5.780 1.00 1.54 H new ATOM 0 HG LEU A 4 6.034 1.267 -5.234 1.00 0.69 H new ATOM 0 HD11 LEU A 4 4.685 1.860 -7.201 1.00 1.29 H new ATOM 0 HD12 LEU A 4 5.153 3.292 -6.254 1.00 1.29 H new ATOM 0 HD13 LEU A 4 5.996 2.917 -7.776 1.00 1.29 H new ATOM 0 HD21 LEU A 4 6.141 -0.155 -7.236 1.00 0.63 H new ATOM 0 HD22 LEU A 4 7.548 0.770 -7.813 1.00 0.63 H new ATOM 0 HD23 LEU A 4 7.663 -0.182 -6.313 1.00 0.63 H new ATOM 75 N VAL A 5 9.413 1.498 -8.676 1.00 0.62 N ATOM 76 CA VAL A 5 9.383 1.577 -10.126 1.00 0.61 C ATOM 77 C VAL A 5 7.965 1.924 -10.585 1.00 0.57 C ATOM 78 O VAL A 5 7.724 3.017 -11.097 1.00 0.73 O ATOM 79 CB VAL A 5 9.905 0.272 -10.733 1.00 0.61 C ATOM 80 CG1 VAL A 5 9.837 0.312 -12.261 1.00 0.70 C ATOM 81 CG2 VAL A 5 11.327 -0.024 -10.254 1.00 0.68 C ATOM 0 H VAL A 5 9.816 0.638 -8.304 1.00 0.62 H new ATOM 0 HA VAL A 5 10.042 2.370 -10.478 1.00 0.61 H new ATOM 0 HB VAL A 5 9.261 -0.538 -10.391 1.00 0.61 H new ATOM 0 HG11 VAL A 5 10.214 -0.627 -12.667 1.00 0.70 H new ATOM 0 HG12 VAL A 5 8.803 0.454 -12.576 1.00 0.70 H new ATOM 0 HG13 VAL A 5 10.446 1.137 -12.631 1.00 0.70 H new ATOM 0 HG21 VAL A 5 11.674 -0.956 -10.700 1.00 0.68 H new ATOM 0 HG22 VAL A 5 11.988 0.789 -10.553 1.00 0.68 H new ATOM 0 HG23 VAL A 5 11.333 -0.117 -9.168 1.00 0.68 H new ATOM 91 N SER A 6 7.063 0.974 -10.385 1.00 0.46 N ATOM 92 CA SER A 6 5.676 1.166 -10.771 1.00 0.43 C ATOM 93 C SER A 6 4.765 0.307 -9.892 1.00 0.37 C ATOM 94 O SER A 6 5.157 -0.773 -9.453 1.00 0.35 O ATOM 95 CB SER A 6 5.463 0.825 -12.248 1.00 0.47 C ATOM 96 OG SER A 6 6.617 1.114 -13.034 1.00 0.56 O ATOM 0 H SER A 6 7.266 0.069 -9.961 1.00 0.46 H new ATOM 0 HA SER A 6 5.423 2.217 -10.628 1.00 0.43 H new ATOM 0 HB2 SER A 6 5.214 -0.232 -12.344 1.00 0.47 H new ATOM 0 HB3 SER A 6 4.613 1.389 -12.631 1.00 0.47 H new ATOM 0 HG SER A 6 6.442 0.881 -13.970 1.00 0.56 H new ATOM 102 N SER A 7 3.565 0.819 -9.662 1.00 0.36 N ATOM 103 CA SER A 7 2.594 0.112 -8.843 1.00 0.33 C ATOM 104 C SER A 7 1.179 0.580 -9.188 1.00 0.37 C ATOM 105 O SER A 7 1.004 1.587 -9.874 1.00 0.42 O ATOM 106 CB SER A 7 2.873 0.321 -7.354 1.00 0.30 C ATOM 107 OG SER A 7 2.824 1.698 -6.989 1.00 0.37 O ATOM 0 H SER A 7 3.243 1.715 -10.028 1.00 0.36 H new ATOM 0 HA SER A 7 2.680 -0.954 -9.055 1.00 0.33 H new ATOM 0 HB2 SER A 7 2.143 -0.236 -6.767 1.00 0.30 H new ATOM 0 HB3 SER A 7 3.855 -0.084 -7.109 1.00 0.30 H new ATOM 0 HG SER A 7 3.006 1.789 -6.030 1.00 0.37 H new ATOM 113 N THR A 8 0.205 -0.172 -8.697 1.00 0.38 N ATOM 114 CA THR A 8 -1.189 0.153 -8.945 1.00 0.44 C ATOM 115 C THR A 8 -2.016 -0.039 -7.672 1.00 0.43 C ATOM 116 O THR A 8 -2.984 -0.799 -7.665 1.00 0.48 O ATOM 117 CB THR A 8 -1.673 -0.702 -10.118 1.00 0.53 C ATOM 118 OG1 THR A 8 -1.064 -0.101 -11.259 1.00 0.66 O ATOM 119 CG2 THR A 8 -3.174 -0.548 -10.375 1.00 0.98 C ATOM 0 H THR A 8 0.354 -1.006 -8.128 1.00 0.38 H new ATOM 0 HA THR A 8 -1.308 1.202 -9.218 1.00 0.44 H new ATOM 0 HB THR A 8 -1.443 -1.749 -9.923 1.00 0.53 H new ATOM 0 HG1 THR A 8 -1.323 -0.594 -12.066 1.00 0.66 H new ATOM 0 HG21 THR A 8 -3.465 -1.176 -11.217 1.00 0.98 H new ATOM 0 HG22 THR A 8 -3.728 -0.852 -9.487 1.00 0.98 H new ATOM 0 HG23 THR A 8 -3.399 0.494 -10.604 1.00 0.98 H new ATOM 127 N PRO A 9 -1.594 0.681 -6.599 1.00 0.37 N ATOM 128 CA PRO A 9 -2.285 0.596 -5.323 1.00 0.38 C ATOM 129 C PRO A 9 -3.607 1.366 -5.363 1.00 0.42 C ATOM 130 O PRO A 9 -4.679 0.767 -5.324 1.00 0.50 O ATOM 131 CB PRO A 9 -1.303 1.156 -4.306 1.00 0.34 C ATOM 132 CG PRO A 9 -0.287 1.957 -5.105 1.00 0.31 C ATOM 133 CD PRO A 9 -0.453 1.591 -6.571 1.00 0.33 C ATOM 0 HA PRO A 9 -2.567 -0.425 -5.065 1.00 0.38 H new ATOM 0 HB2 PRO A 9 -1.812 1.787 -3.578 1.00 0.34 H new ATOM 0 HB3 PRO A 9 -0.818 0.354 -3.749 1.00 0.34 H new ATOM 0 HG2 PRO A 9 -0.443 3.026 -4.958 1.00 0.31 H new ATOM 0 HG3 PRO A 9 0.725 1.734 -4.768 1.00 0.31 H new ATOM 0 HD2 PRO A 9 -0.637 2.475 -7.182 1.00 0.33 H new ATOM 0 HD3 PRO A 9 0.444 1.113 -6.964 1.00 0.33 H new ATOM 141 N ALA A 10 -3.485 2.684 -5.440 1.00 0.42 N ATOM 142 CA ALA A 10 -4.657 3.542 -5.486 1.00 0.47 C ATOM 143 C ALA A 10 -4.210 5.004 -5.541 1.00 0.40 C ATOM 144 O ALA A 10 -4.765 5.852 -4.843 1.00 0.37 O ATOM 145 CB ALA A 10 -5.552 3.249 -4.280 1.00 0.52 C ATOM 0 H ALA A 10 -2.593 3.178 -5.472 1.00 0.42 H new ATOM 0 HA ALA A 10 -5.244 3.343 -6.382 1.00 0.47 H new ATOM 0 HB1 ALA A 10 -6.431 3.893 -4.314 1.00 0.52 H new ATOM 0 HB2 ALA A 10 -5.865 2.205 -4.304 1.00 0.52 H new ATOM 0 HB3 ALA A 10 -4.998 3.440 -3.361 1.00 0.52 H new ATOM 151 N GLU A 11 -3.214 5.255 -6.377 1.00 0.44 N ATOM 152 CA GLU A 11 -2.688 6.600 -6.531 1.00 0.49 C ATOM 153 C GLU A 11 -3.830 7.618 -6.552 1.00 0.52 C ATOM 154 O GLU A 11 -4.537 7.742 -7.551 1.00 0.61 O ATOM 155 CB GLU A 11 -1.830 6.711 -7.793 1.00 0.65 C ATOM 156 CG GLU A 11 -0.345 6.810 -7.441 1.00 0.71 C ATOM 157 CD GLU A 11 0.492 5.887 -8.328 1.00 1.41 C ATOM 158 OE1 GLU A 11 0.504 4.666 -8.115 1.00 2.77 O ATOM 159 OE2 GLU A 11 1.145 6.480 -9.270 1.00 1.92 O ATOM 0 H GLU A 11 -2.757 4.550 -6.955 1.00 0.44 H new ATOM 0 HA GLU A 11 -2.049 6.820 -5.676 1.00 0.49 H new ATOM 0 HB2 GLU A 11 -1.999 5.842 -8.429 1.00 0.65 H new ATOM 0 HB3 GLU A 11 -2.131 7.589 -8.365 1.00 0.65 H new ATOM 0 HG2 GLU A 11 -0.007 7.839 -7.561 1.00 0.71 H new ATOM 0 HG3 GLU A 11 -0.198 6.546 -6.394 1.00 0.71 H new ATOM 166 N GLY A 12 -3.975 8.320 -5.438 1.00 0.46 N ATOM 167 CA GLY A 12 -5.019 9.323 -5.317 1.00 0.50 C ATOM 168 C GLY A 12 -6.309 8.856 -5.992 1.00 0.57 C ATOM 169 O GLY A 12 -7.021 9.655 -6.598 1.00 0.73 O ATOM 0 H GLY A 12 -3.387 8.214 -4.611 1.00 0.46 H new ATOM 0 HA2 GLY A 12 -5.210 9.529 -4.264 1.00 0.50 H new ATOM 0 HA3 GLY A 12 -4.685 10.257 -5.769 1.00 0.50 H new ATOM 173 N SER A 13 -6.572 7.564 -5.866 1.00 0.54 N ATOM 174 CA SER A 13 -7.764 6.981 -6.457 1.00 0.63 C ATOM 175 C SER A 13 -9.009 7.470 -5.715 1.00 0.48 C ATOM 176 O SER A 13 -9.390 6.904 -4.692 1.00 0.50 O ATOM 177 CB SER A 13 -7.699 5.452 -6.434 1.00 0.84 C ATOM 178 OG SER A 13 -7.482 4.908 -7.733 1.00 1.25 O ATOM 0 H SER A 13 -5.979 6.904 -5.363 1.00 0.54 H new ATOM 0 HA SER A 13 -7.820 7.300 -7.498 1.00 0.63 H new ATOM 0 HB2 SER A 13 -6.897 5.133 -5.769 1.00 0.84 H new ATOM 0 HB3 SER A 13 -8.629 5.056 -6.025 1.00 0.84 H new ATOM 0 HG SER A 13 -7.445 3.930 -7.676 1.00 1.25 H new ATOM 184 N GLU A 14 -9.609 8.519 -6.259 1.00 0.46 N ATOM 185 CA GLU A 14 -10.804 9.092 -5.662 1.00 0.51 C ATOM 186 C GLU A 14 -12.039 8.719 -6.484 1.00 0.63 C ATOM 187 O GLU A 14 -12.116 9.028 -7.671 1.00 0.74 O ATOM 188 CB GLU A 14 -10.674 10.609 -5.524 1.00 0.70 C ATOM 189 CG GLU A 14 -9.355 10.988 -4.848 1.00 0.77 C ATOM 190 CD GLU A 14 -8.962 12.429 -5.182 1.00 1.06 C ATOM 191 OE1 GLU A 14 -9.779 13.347 -5.023 1.00 1.26 O ATOM 192 OE2 GLU A 14 -7.756 12.577 -5.619 1.00 1.89 O ATOM 0 H GLU A 14 -9.290 8.987 -7.107 1.00 0.46 H new ATOM 0 HA GLU A 14 -10.921 8.678 -4.660 1.00 0.51 H new ATOM 0 HB2 GLU A 14 -10.728 11.073 -6.509 1.00 0.70 H new ATOM 0 HB3 GLU A 14 -11.510 10.998 -4.942 1.00 0.70 H new ATOM 0 HG2 GLU A 14 -9.450 10.874 -3.768 1.00 0.77 H new ATOM 0 HG3 GLU A 14 -8.567 10.308 -5.172 1.00 0.77 H new ATOM 199 N GLY A 15 -12.977 8.060 -5.818 1.00 0.68 N ATOM 200 CA GLY A 15 -14.204 7.642 -6.472 1.00 0.89 C ATOM 201 C GLY A 15 -14.714 6.322 -5.890 1.00 0.62 C ATOM 202 O GLY A 15 -15.916 6.148 -5.694 1.00 0.66 O ATOM 0 H GLY A 15 -12.911 7.806 -4.832 1.00 0.68 H new ATOM 0 HA2 GLY A 15 -14.965 8.414 -6.353 1.00 0.89 H new ATOM 0 HA3 GLY A 15 -14.029 7.528 -7.542 1.00 0.89 H new ATOM 206 N ALA A 16 -13.774 5.424 -5.632 1.00 0.76 N ATOM 207 CA ALA A 16 -14.112 4.125 -5.076 1.00 0.85 C ATOM 208 C ALA A 16 -12.825 3.368 -4.742 1.00 1.21 C ATOM 209 O ALA A 16 -11.752 3.710 -5.238 1.00 1.85 O ATOM 210 CB ALA A 16 -14.998 3.363 -6.064 1.00 1.14 C ATOM 0 H ALA A 16 -12.778 5.571 -5.798 1.00 0.76 H new ATOM 0 HA ALA A 16 -14.677 4.238 -4.151 1.00 0.85 H new ATOM 0 HB1 ALA A 16 -15.252 2.388 -5.648 1.00 1.14 H new ATOM 0 HB2 ALA A 16 -15.911 3.929 -6.245 1.00 1.14 H new ATOM 0 HB3 ALA A 16 -14.462 3.228 -7.004 1.00 1.14 H new ATOM 216 N ALA A 17 -12.975 2.352 -3.903 1.00 0.94 N ATOM 217 CA ALA A 17 -11.838 1.544 -3.497 1.00 1.25 C ATOM 218 C ALA A 17 -11.589 0.459 -4.547 1.00 1.02 C ATOM 219 O ALA A 17 -12.532 -0.130 -5.072 1.00 0.90 O ATOM 220 CB ALA A 17 -12.096 0.962 -2.107 1.00 1.61 C ATOM 0 H ALA A 17 -13.866 2.071 -3.494 1.00 0.94 H new ATOM 0 HA ALA A 17 -10.937 2.154 -3.432 1.00 1.25 H new ATOM 0 HB1 ALA A 17 -11.243 0.356 -1.802 1.00 1.61 H new ATOM 0 HB2 ALA A 17 -12.238 1.774 -1.393 1.00 1.61 H new ATOM 0 HB3 ALA A 17 -12.992 0.341 -2.133 1.00 1.61 H new ATOM 226 N PRO A 18 -10.280 0.220 -4.827 1.00 1.02 N ATOM 227 CA PRO A 18 -9.895 -0.784 -5.804 1.00 0.91 C ATOM 228 C PRO A 18 -10.066 -2.194 -5.237 1.00 0.77 C ATOM 229 O PRO A 18 -10.207 -2.368 -4.028 1.00 1.14 O ATOM 230 CB PRO A 18 -8.453 -0.456 -6.157 1.00 1.08 C ATOM 231 CG PRO A 18 -7.938 0.426 -5.032 1.00 1.24 C ATOM 232 CD PRO A 18 -9.136 0.898 -4.225 1.00 1.22 C ATOM 0 HA PRO A 18 -10.523 -0.767 -6.695 1.00 0.91 H new ATOM 0 HB2 PRO A 18 -7.857 -1.364 -6.245 1.00 1.08 H new ATOM 0 HB3 PRO A 18 -8.393 0.059 -7.116 1.00 1.08 H new ATOM 0 HG2 PRO A 18 -7.245 -0.128 -4.399 1.00 1.24 H new ATOM 0 HG3 PRO A 18 -7.390 1.277 -5.435 1.00 1.24 H new ATOM 0 HD2 PRO A 18 -9.031 0.638 -3.172 1.00 1.22 H new ATOM 0 HD3 PRO A 18 -9.246 1.981 -4.276 1.00 1.22 H new ATOM 240 N ALA A 19 -10.045 -3.166 -6.137 1.00 0.65 N ATOM 241 CA ALA A 19 -10.196 -4.557 -5.742 1.00 0.63 C ATOM 242 C ALA A 19 -8.987 -4.978 -4.905 1.00 0.55 C ATOM 243 O ALA A 19 -9.143 -5.547 -3.825 1.00 0.54 O ATOM 244 CB ALA A 19 -10.373 -5.426 -6.988 1.00 0.82 C ATOM 0 H ALA A 19 -9.926 -3.018 -7.139 1.00 0.65 H new ATOM 0 HA ALA A 19 -11.086 -4.686 -5.126 1.00 0.63 H new ATOM 0 HB1 ALA A 19 -10.486 -6.469 -6.691 1.00 0.82 H new ATOM 0 HB2 ALA A 19 -11.261 -5.105 -7.532 1.00 0.82 H new ATOM 0 HB3 ALA A 19 -9.498 -5.324 -7.630 1.00 0.82 H new ATOM 250 N LYS A 20 -7.808 -4.680 -5.432 1.00 0.53 N ATOM 251 CA LYS A 20 -6.574 -5.022 -4.747 1.00 0.50 C ATOM 252 C LYS A 20 -5.461 -4.079 -5.210 1.00 0.49 C ATOM 253 O LYS A 20 -5.502 -3.567 -6.328 1.00 0.57 O ATOM 254 CB LYS A 20 -6.244 -6.503 -4.941 1.00 0.56 C ATOM 255 CG LYS A 20 -5.975 -6.817 -6.414 1.00 0.66 C ATOM 256 CD LYS A 20 -6.589 -8.161 -6.810 1.00 1.46 C ATOM 257 CE LYS A 20 -6.023 -8.649 -8.145 1.00 1.87 C ATOM 258 NZ LYS A 20 -6.022 -10.129 -8.197 1.00 3.00 N ATOM 0 H LYS A 20 -7.682 -4.205 -6.326 1.00 0.53 H new ATOM 0 HA LYS A 20 -6.685 -4.883 -3.672 1.00 0.50 H new ATOM 0 HB2 LYS A 20 -5.371 -6.766 -4.344 1.00 0.56 H new ATOM 0 HB3 LYS A 20 -7.072 -7.114 -4.581 1.00 0.56 H new ATOM 0 HG2 LYS A 20 -6.389 -6.026 -7.039 1.00 0.66 H new ATOM 0 HG3 LYS A 20 -4.900 -6.837 -6.595 1.00 0.66 H new ATOM 0 HD2 LYS A 20 -6.388 -8.900 -6.034 1.00 1.46 H new ATOM 0 HD3 LYS A 20 -7.672 -8.063 -6.884 1.00 1.46 H new ATOM 0 HE2 LYS A 20 -6.618 -8.251 -8.967 1.00 1.87 H new ATOM 0 HE3 LYS A 20 -5.008 -8.274 -8.276 1.00 1.87 H new ATOM 0 HZ1 LYS A 20 -5.635 -10.444 -9.109 1.00 3.00 H new ATOM 0 HZ2 LYS A 20 -5.435 -10.503 -7.424 1.00 3.00 H new ATOM 0 HZ3 LYS A 20 -6.995 -10.481 -8.094 1.00 3.00 H new ATOM 272 N ILE A 21 -4.494 -3.879 -4.328 1.00 0.43 N ATOM 273 CA ILE A 21 -3.371 -3.006 -4.632 1.00 0.42 C ATOM 274 C ILE A 21 -2.309 -3.798 -5.394 1.00 0.42 C ATOM 275 O ILE A 21 -2.075 -4.970 -5.104 1.00 0.42 O ATOM 276 CB ILE A 21 -2.848 -2.343 -3.357 1.00 0.42 C ATOM 277 CG1 ILE A 21 -3.604 -1.045 -3.064 1.00 0.44 C ATOM 278 CG2 ILE A 21 -1.336 -2.121 -3.435 1.00 0.41 C ATOM 279 CD1 ILE A 21 -4.354 -1.135 -1.734 1.00 0.50 C ATOM 0 H ILE A 21 -4.464 -4.306 -3.402 1.00 0.43 H new ATOM 0 HA ILE A 21 -3.687 -2.189 -5.281 1.00 0.42 H new ATOM 0 HB ILE A 21 -3.031 -3.018 -2.521 1.00 0.42 H new ATOM 0 HG12 ILE A 21 -2.903 -0.211 -3.035 1.00 0.44 H new ATOM 0 HG13 ILE A 21 -4.309 -0.841 -3.870 1.00 0.44 H new ATOM 0 HG21 ILE A 21 -0.990 -1.648 -2.516 1.00 0.41 H new ATOM 0 HG22 ILE A 21 -0.833 -3.080 -3.561 1.00 0.41 H new ATOM 0 HG23 ILE A 21 -1.106 -1.476 -4.283 1.00 0.41 H new ATOM 0 HD11 ILE A 21 -4.882 -0.200 -1.550 1.00 0.50 H new ATOM 0 HD12 ILE A 21 -5.071 -1.955 -1.775 1.00 0.50 H new ATOM 0 HD13 ILE A 21 -3.644 -1.315 -0.927 1.00 0.50 H new ATOM 291 N GLU A 22 -1.691 -3.127 -6.355 1.00 0.44 N ATOM 292 CA GLU A 22 -0.657 -3.753 -7.162 1.00 0.44 C ATOM 293 C GLU A 22 0.682 -3.043 -6.953 1.00 0.39 C ATOM 294 O GLU A 22 0.716 -1.851 -6.651 1.00 0.37 O ATOM 295 CB GLU A 22 -1.048 -3.763 -8.641 1.00 0.49 C ATOM 296 CG GLU A 22 -1.146 -5.194 -9.173 1.00 0.59 C ATOM 297 CD GLU A 22 -0.760 -5.258 -10.651 1.00 0.90 C ATOM 298 OE1 GLU A 22 -0.974 -4.285 -11.390 1.00 1.53 O ATOM 299 OE2 GLU A 22 -0.219 -6.367 -11.027 1.00 1.77 O ATOM 0 H GLU A 22 -1.887 -2.155 -6.593 1.00 0.44 H new ATOM 0 HA GLU A 22 -0.550 -4.789 -6.841 1.00 0.44 H new ATOM 0 HB2 GLU A 22 -2.004 -3.257 -8.771 1.00 0.49 H new ATOM 0 HB3 GLU A 22 -0.311 -3.206 -9.219 1.00 0.49 H new ATOM 0 HG2 GLU A 22 -0.492 -5.846 -8.594 1.00 0.59 H new ATOM 0 HG3 GLU A 22 -2.163 -5.565 -9.043 1.00 0.59 H new ATOM 306 N LEU A 23 1.752 -3.806 -7.121 1.00 0.38 N ATOM 307 CA LEU A 23 3.090 -3.265 -6.955 1.00 0.35 C ATOM 308 C LEU A 23 4.047 -3.981 -7.911 1.00 0.36 C ATOM 309 O LEU A 23 3.937 -5.188 -8.117 1.00 0.41 O ATOM 310 CB LEU A 23 3.518 -3.338 -5.487 1.00 0.39 C ATOM 311 CG LEU A 23 2.596 -2.642 -4.485 1.00 0.40 C ATOM 312 CD1 LEU A 23 2.808 -3.191 -3.073 1.00 0.48 C ATOM 313 CD2 LEU A 23 2.771 -1.123 -4.541 1.00 0.36 C ATOM 0 H LEU A 23 1.719 -4.795 -7.370 1.00 0.38 H new ATOM 0 HA LEU A 23 3.109 -2.207 -7.217 1.00 0.35 H new ATOM 0 HB2 LEU A 23 3.602 -4.388 -5.205 1.00 0.39 H new ATOM 0 HB3 LEU A 23 4.514 -2.903 -5.397 1.00 0.39 H new ATOM 0 HG LEU A 23 1.564 -2.857 -4.764 1.00 0.40 H new ATOM 0 HD11 LEU A 23 2.140 -2.679 -2.380 1.00 0.48 H new ATOM 0 HD12 LEU A 23 2.593 -4.260 -3.062 1.00 0.48 H new ATOM 0 HD13 LEU A 23 3.842 -3.026 -2.770 1.00 0.48 H new ATOM 0 HD21 LEU A 23 2.104 -0.653 -3.819 1.00 0.36 H new ATOM 0 HD22 LEU A 23 3.803 -0.867 -4.302 1.00 0.36 H new ATOM 0 HD23 LEU A 23 2.531 -0.766 -5.542 1.00 0.36 H new ATOM 325 N HIS A 24 4.965 -3.204 -8.469 1.00 0.36 N ATOM 326 CA HIS A 24 5.940 -3.749 -9.398 1.00 0.41 C ATOM 327 C HIS A 24 7.333 -3.224 -9.044 1.00 0.44 C ATOM 328 O HIS A 24 7.464 -2.196 -8.383 1.00 0.41 O ATOM 329 CB HIS A 24 5.542 -3.445 -10.844 1.00 0.42 C ATOM 330 CG HIS A 24 4.489 -4.373 -11.399 1.00 0.45 C ATOM 331 ND1 HIS A 24 4.796 -5.579 -12.004 1.00 0.52 N ATOM 332 CD2 HIS A 24 3.129 -4.261 -11.432 1.00 0.49 C ATOM 333 CE1 HIS A 24 3.665 -6.158 -12.382 1.00 0.53 C ATOM 334 NE2 HIS A 24 2.634 -5.338 -12.028 1.00 0.52 N ATOM 0 H HIS A 24 5.054 -2.203 -8.295 1.00 0.36 H new ATOM 0 HA HIS A 24 5.965 -4.835 -9.310 1.00 0.41 H new ATOM 0 HB2 HIS A 24 5.175 -2.420 -10.901 1.00 0.42 H new ATOM 0 HB3 HIS A 24 6.430 -3.501 -11.474 1.00 0.42 H new ATOM 0 HD2 HIS A 24 2.554 -3.436 -11.040 1.00 0.49 H new ATOM 0 HE1 HIS A 24 3.576 -7.111 -12.882 1.00 0.53 H new ATOM 0 HE2 HIS A 24 1.645 -5.523 -12.194 1.00 0.52 H new ATOM 342 N PHE A 25 8.339 -3.957 -9.501 1.00 0.56 N ATOM 343 CA PHE A 25 9.718 -3.578 -9.241 1.00 0.63 C ATOM 344 C PHE A 25 10.655 -4.160 -10.301 1.00 0.76 C ATOM 345 O PHE A 25 10.593 -5.350 -10.604 1.00 1.10 O ATOM 346 CB PHE A 25 10.091 -4.159 -7.875 1.00 0.69 C ATOM 347 CG PHE A 25 9.476 -3.409 -6.692 1.00 0.66 C ATOM 348 CD1 PHE A 25 9.913 -2.161 -6.376 1.00 1.84 C ATOM 349 CD2 PHE A 25 8.492 -3.991 -5.956 1.00 1.85 C ATOM 350 CE1 PHE A 25 9.342 -1.465 -5.278 1.00 1.91 C ATOM 351 CE2 PHE A 25 7.920 -3.295 -4.857 1.00 1.96 C ATOM 352 CZ PHE A 25 8.358 -2.047 -4.541 1.00 1.06 C ATOM 0 H PHE A 25 8.227 -4.810 -10.049 1.00 0.56 H new ATOM 0 HA PHE A 25 9.816 -2.493 -9.263 1.00 0.63 H new ATOM 0 HB2 PHE A 25 9.774 -5.201 -7.836 1.00 0.69 H new ATOM 0 HB3 PHE A 25 11.176 -4.152 -7.772 1.00 0.69 H new ATOM 0 HD1 PHE A 25 10.695 -1.699 -6.960 1.00 1.84 H new ATOM 0 HD2 PHE A 25 8.145 -4.983 -6.207 1.00 1.85 H new ATOM 0 HE1 PHE A 25 9.689 -0.473 -5.028 1.00 1.91 H new ATOM 0 HE2 PHE A 25 7.138 -3.757 -4.273 1.00 1.96 H new ATOM 0 HZ PHE A 25 7.925 -1.518 -3.705 1.00 1.06 H new ATOM 362 N SER A 26 11.500 -3.292 -10.838 1.00 0.71 N ATOM 363 CA SER A 26 12.449 -3.704 -11.859 1.00 0.84 C ATOM 364 C SER A 26 13.550 -4.563 -11.233 1.00 0.80 C ATOM 365 O SER A 26 14.128 -5.419 -11.900 1.00 0.97 O ATOM 366 CB SER A 26 13.059 -2.492 -12.566 1.00 1.12 C ATOM 367 OG SER A 26 12.167 -1.931 -13.525 1.00 1.95 O ATOM 0 H SER A 26 11.547 -2.305 -10.585 1.00 0.71 H new ATOM 0 HA SER A 26 11.915 -4.294 -12.604 1.00 0.84 H new ATOM 0 HB2 SER A 26 13.321 -1.735 -11.827 1.00 1.12 H new ATOM 0 HB3 SER A 26 13.984 -2.788 -13.060 1.00 1.12 H new ATOM 0 HG SER A 26 12.591 -1.159 -13.954 1.00 1.95 H new ATOM 499 N GLY A 35 7.119 -4.322 3.072 1.00 0.68 N ATOM 500 CA GLY A 35 5.747 -4.552 3.492 1.00 0.79 C ATOM 501 C GLY A 35 4.871 -3.333 3.199 1.00 0.72 C ATOM 502 O GLY A 35 5.315 -2.386 2.551 1.00 0.84 O ATOM 0 HA2 GLY A 35 5.346 -5.424 2.976 1.00 0.79 H new ATOM 0 HA3 GLY A 35 5.722 -4.774 4.559 1.00 0.79 H new ATOM 506 N ALA A 36 3.642 -3.394 3.690 1.00 0.73 N ATOM 507 CA ALA A 36 2.701 -2.306 3.490 1.00 0.69 C ATOM 508 C ALA A 36 1.649 -2.336 4.600 1.00 0.74 C ATOM 509 O ALA A 36 1.477 -3.353 5.270 1.00 0.83 O ATOM 510 CB ALA A 36 2.080 -2.419 2.095 1.00 0.73 C ATOM 0 H ALA A 36 3.276 -4.181 4.226 1.00 0.73 H new ATOM 0 HA ALA A 36 3.210 -1.344 3.544 1.00 0.69 H new ATOM 0 HB1 ALA A 36 1.374 -1.603 1.944 1.00 0.73 H new ATOM 0 HB2 ALA A 36 2.866 -2.363 1.341 1.00 0.73 H new ATOM 0 HB3 ALA A 36 1.558 -3.372 2.005 1.00 0.73 H new ATOM 516 N LYS A 37 0.971 -1.209 4.759 1.00 0.70 N ATOM 517 CA LYS A 37 -0.060 -1.093 5.777 1.00 0.76 C ATOM 518 C LYS A 37 -1.086 -0.047 5.341 1.00 0.68 C ATOM 519 O LYS A 37 -0.729 1.095 5.052 1.00 0.66 O ATOM 520 CB LYS A 37 0.566 -0.808 7.144 1.00 0.89 C ATOM 521 CG LYS A 37 0.699 -2.092 7.965 1.00 1.05 C ATOM 522 CD LYS A 37 2.073 -2.176 8.633 1.00 1.73 C ATOM 523 CE LYS A 37 2.344 -3.590 9.154 1.00 2.05 C ATOM 524 NZ LYS A 37 2.400 -3.593 10.634 1.00 2.51 N ATOM 0 H LYS A 37 1.115 -0.368 4.200 1.00 0.70 H new ATOM 0 HA LYS A 37 -0.594 -2.037 5.887 1.00 0.76 H new ATOM 0 HB2 LYS A 37 1.548 -0.354 7.011 1.00 0.89 H new ATOM 0 HB3 LYS A 37 -0.047 -0.088 7.686 1.00 0.89 H new ATOM 0 HG2 LYS A 37 -0.081 -2.124 8.725 1.00 1.05 H new ATOM 0 HG3 LYS A 37 0.551 -2.958 7.319 1.00 1.05 H new ATOM 0 HD2 LYS A 37 2.846 -1.893 7.919 1.00 1.73 H new ATOM 0 HD3 LYS A 37 2.125 -1.465 9.457 1.00 1.73 H new ATOM 0 HE2 LYS A 37 1.561 -4.267 8.812 1.00 2.05 H new ATOM 0 HE3 LYS A 37 3.285 -3.960 8.747 1.00 2.05 H new ATOM 0 HZ1 LYS A 37 2.584 -4.559 10.972 1.00 2.51 H new ATOM 0 HZ2 LYS A 37 3.163 -2.962 10.954 1.00 2.51 H new ATOM 0 HZ3 LYS A 37 1.492 -3.260 11.016 1.00 2.51 H new ATOM 538 N LEU A 38 -2.341 -0.473 5.306 1.00 0.66 N ATOM 539 CA LEU A 38 -3.421 0.414 4.909 1.00 0.60 C ATOM 540 C LEU A 38 -4.092 0.984 6.161 1.00 0.63 C ATOM 541 O LEU A 38 -4.447 0.239 7.073 1.00 0.70 O ATOM 542 CB LEU A 38 -4.387 -0.307 3.968 1.00 0.56 C ATOM 543 CG LEU A 38 -5.724 0.392 3.714 1.00 0.53 C ATOM 544 CD1 LEU A 38 -5.523 1.889 3.473 1.00 0.65 C ATOM 545 CD2 LEU A 38 -6.485 -0.277 2.568 1.00 0.64 C ATOM 0 H LEU A 38 -2.633 -1.420 5.546 1.00 0.66 H new ATOM 0 HA LEU A 38 -3.032 1.260 4.342 1.00 0.60 H new ATOM 0 HB2 LEU A 38 -3.888 -0.453 3.010 1.00 0.56 H new ATOM 0 HB3 LEU A 38 -4.589 -1.297 4.376 1.00 0.56 H new ATOM 0 HG LEU A 38 -6.338 0.290 4.609 1.00 0.53 H new ATOM 0 HD11 LEU A 38 -6.489 2.362 3.295 1.00 0.65 H new ATOM 0 HD12 LEU A 38 -5.055 2.339 4.348 1.00 0.65 H new ATOM 0 HD13 LEU A 38 -4.882 2.035 2.603 1.00 0.65 H new ATOM 0 HD21 LEU A 38 -7.431 0.240 2.409 1.00 0.64 H new ATOM 0 HD22 LEU A 38 -5.888 -0.229 1.658 1.00 0.64 H new ATOM 0 HD23 LEU A 38 -6.679 -1.320 2.820 1.00 0.64 H new ATOM 557 N VAL A 39 -4.247 2.299 6.164 1.00 0.61 N ATOM 558 CA VAL A 39 -4.870 2.978 7.287 1.00 0.65 C ATOM 559 C VAL A 39 -5.995 3.879 6.774 1.00 0.61 C ATOM 560 O VAL A 39 -5.819 4.601 5.793 1.00 0.61 O ATOM 561 CB VAL A 39 -3.813 3.741 8.089 1.00 0.74 C ATOM 562 CG1 VAL A 39 -2.640 2.829 8.457 1.00 0.79 C ATOM 563 CG2 VAL A 39 -3.329 4.975 7.326 1.00 0.77 C ATOM 0 H VAL A 39 -3.951 2.914 5.405 1.00 0.61 H new ATOM 0 HA VAL A 39 -5.318 2.255 7.969 1.00 0.65 H new ATOM 0 HB VAL A 39 -4.277 4.081 9.015 1.00 0.74 H new ATOM 0 HG11 VAL A 39 -1.903 3.396 9.026 1.00 0.79 H new ATOM 0 HG12 VAL A 39 -3.002 1.996 9.060 1.00 0.79 H new ATOM 0 HG13 VAL A 39 -2.178 2.445 7.547 1.00 0.79 H new ATOM 0 HG21 VAL A 39 -2.579 5.498 7.919 1.00 0.77 H new ATOM 0 HG22 VAL A 39 -2.891 4.667 6.376 1.00 0.77 H new ATOM 0 HG23 VAL A 39 -4.172 5.640 7.138 1.00 0.77 H new ATOM 573 N MET A 40 -7.126 3.807 7.460 1.00 0.62 N ATOM 574 CA MET A 40 -8.281 4.607 7.085 1.00 0.62 C ATOM 575 C MET A 40 -8.277 5.950 7.819 1.00 0.70 C ATOM 576 O MET A 40 -8.764 6.048 8.944 1.00 0.80 O ATOM 577 CB MET A 40 -9.562 3.844 7.423 1.00 0.64 C ATOM 578 CG MET A 40 -10.799 4.711 7.176 1.00 0.69 C ATOM 579 SD MET A 40 -11.464 5.283 8.730 1.00 1.16 S ATOM 580 CE MET A 40 -13.201 4.978 8.454 1.00 1.78 C ATOM 0 H MET A 40 -7.268 3.208 8.273 1.00 0.62 H new ATOM 0 HA MET A 40 -8.235 4.799 6.013 1.00 0.62 H new ATOM 0 HB2 MET A 40 -9.621 2.939 6.818 1.00 0.64 H new ATOM 0 HB3 MET A 40 -9.537 3.529 8.466 1.00 0.64 H new ATOM 0 HG2 MET A 40 -10.537 5.562 6.548 1.00 0.69 H new ATOM 0 HG3 MET A 40 -11.553 4.138 6.637 1.00 0.69 H new ATOM 0 HE1 MET A 40 -13.768 5.281 9.334 1.00 1.78 H new ATOM 0 HE2 MET A 40 -13.538 5.551 7.590 1.00 1.78 H new ATOM 0 HE3 MET A 40 -13.359 3.916 8.269 1.00 1.78 H new ATOM 590 N THR A 41 -7.725 6.951 7.149 1.00 0.68 N ATOM 591 CA THR A 41 -7.652 8.284 7.723 1.00 0.77 C ATOM 592 C THR A 41 -8.674 9.207 7.058 1.00 0.81 C ATOM 593 O THR A 41 -8.307 10.221 6.464 1.00 0.90 O ATOM 594 CB THR A 41 -6.210 8.778 7.591 1.00 0.86 C ATOM 595 OG1 THR A 41 -6.211 10.036 8.260 1.00 0.92 O ATOM 596 CG2 THR A 41 -5.839 9.124 6.147 1.00 1.03 C ATOM 0 H THR A 41 -7.324 6.866 6.215 1.00 0.68 H new ATOM 0 HA THR A 41 -7.911 8.273 8.782 1.00 0.77 H new ATOM 0 HB THR A 41 -5.529 8.014 7.968 1.00 0.86 H new ATOM 0 HG1 THR A 41 -6.833 10.645 7.810 1.00 0.92 H new ATOM 0 HG21 THR A 41 -4.806 9.469 6.110 1.00 1.03 H new ATOM 0 HG22 THR A 41 -5.949 8.238 5.521 1.00 1.03 H new ATOM 0 HG23 THR A 41 -6.498 9.911 5.781 1.00 1.03 H new ATOM 604 N ALA A 42 -9.936 8.826 7.180 1.00 0.78 N ATOM 605 CA ALA A 42 -11.015 9.607 6.597 1.00 0.85 C ATOM 606 C ALA A 42 -10.869 11.068 7.025 1.00 0.99 C ATOM 607 O ALA A 42 -10.633 11.943 6.193 1.00 2.10 O ATOM 608 CB ALA A 42 -12.360 9.009 7.011 1.00 0.95 C ATOM 0 H ALA A 42 -10.237 7.986 7.674 1.00 0.78 H new ATOM 0 HA ALA A 42 -10.967 9.576 5.509 1.00 0.85 H new ATOM 0 HB1 ALA A 42 -13.169 9.595 6.574 1.00 0.95 H new ATOM 0 HB2 ALA A 42 -12.425 7.980 6.657 1.00 0.95 H new ATOM 0 HB3 ALA A 42 -12.447 9.025 8.097 1.00 0.95 H new ATOM 726 N MET A 51 -6.393 5.047 11.474 1.00 0.86 N ATOM 727 CA MET A 51 -6.785 3.711 11.888 1.00 0.88 C ATOM 728 C MET A 51 -6.321 2.665 10.872 1.00 0.84 C ATOM 729 O MET A 51 -6.569 2.805 9.675 1.00 0.95 O ATOM 730 CB MET A 51 -8.307 3.646 12.031 1.00 0.95 C ATOM 731 CG MET A 51 -8.725 3.771 13.497 1.00 1.15 C ATOM 732 SD MET A 51 -10.120 2.708 13.827 1.00 2.11 S ATOM 733 CE MET A 51 -11.198 3.861 14.660 1.00 2.77 C ATOM 0 HA MET A 51 -6.313 3.494 12.846 1.00 0.88 H new ATOM 0 HB2 MET A 51 -8.765 4.446 11.449 1.00 0.95 H new ATOM 0 HB3 MET A 51 -8.674 2.704 11.623 1.00 0.95 H new ATOM 0 HG2 MET A 51 -7.891 3.502 14.146 1.00 1.15 H new ATOM 0 HG3 MET A 51 -8.984 4.805 13.723 1.00 1.15 H new ATOM 0 HE1 MET A 51 -12.124 3.358 14.938 1.00 2.77 H new ATOM 0 HE2 MET A 51 -10.706 4.237 15.557 1.00 2.77 H new ATOM 0 HE3 MET A 51 -11.424 4.694 13.994 1.00 2.77 H new ATOM 743 N ALA A 52 -5.658 1.639 11.387 1.00 0.83 N ATOM 744 CA ALA A 52 -5.159 0.570 10.539 1.00 0.80 C ATOM 745 C ALA A 52 -6.318 -0.352 10.152 1.00 0.76 C ATOM 746 O ALA A 52 -7.176 -0.656 10.979 1.00 0.75 O ATOM 747 CB ALA A 52 -4.038 -0.176 11.266 1.00 0.86 C ATOM 0 H ALA A 52 -5.455 1.526 12.380 1.00 0.83 H new ATOM 0 HA ALA A 52 -4.739 0.974 9.618 1.00 0.80 H new ATOM 0 HB1 ALA A 52 -3.663 -0.978 10.630 1.00 0.86 H new ATOM 0 HB2 ALA A 52 -3.227 0.517 11.492 1.00 0.86 H new ATOM 0 HB3 ALA A 52 -4.424 -0.598 12.194 1.00 0.86 H new ATOM 753 N VAL A 53 -6.305 -0.770 8.896 1.00 0.80 N ATOM 754 CA VAL A 53 -7.343 -1.650 8.388 1.00 0.80 C ATOM 755 C VAL A 53 -6.810 -3.084 8.337 1.00 0.81 C ATOM 756 O VAL A 53 -5.608 -3.307 8.470 1.00 0.95 O ATOM 757 CB VAL A 53 -7.840 -1.148 7.031 1.00 0.75 C ATOM 758 CG1 VAL A 53 -6.970 -1.689 5.895 1.00 0.66 C ATOM 759 CG2 VAL A 53 -9.310 -1.511 6.817 1.00 0.89 C ATOM 0 H VAL A 53 -5.591 -0.515 8.214 1.00 0.80 H new ATOM 0 HA VAL A 53 -8.205 -1.647 9.055 1.00 0.80 H new ATOM 0 HB VAL A 53 -7.760 -0.061 7.026 1.00 0.75 H new ATOM 0 HG11 VAL A 53 -7.345 -1.317 4.941 1.00 0.66 H new ATOM 0 HG12 VAL A 53 -5.941 -1.357 6.035 1.00 0.66 H new ATOM 0 HG13 VAL A 53 -7.004 -2.778 5.898 1.00 0.66 H new ATOM 0 HG21 VAL A 53 -9.638 -1.143 5.845 1.00 0.89 H new ATOM 0 HG22 VAL A 53 -9.426 -2.594 6.852 1.00 0.89 H new ATOM 0 HG23 VAL A 53 -9.915 -1.055 7.601 1.00 0.89 H new ATOM 769 N LYS A 54 -7.731 -4.017 8.143 1.00 0.87 N ATOM 770 CA LYS A 54 -7.368 -5.422 8.073 1.00 0.89 C ATOM 771 C LYS A 54 -7.128 -5.810 6.612 1.00 0.79 C ATOM 772 O LYS A 54 -8.063 -5.847 5.814 1.00 0.99 O ATOM 773 CB LYS A 54 -8.423 -6.284 8.771 1.00 1.03 C ATOM 774 CG LYS A 54 -8.253 -6.233 10.291 1.00 1.94 C ATOM 775 CD LYS A 54 -9.612 -6.240 10.995 1.00 2.39 C ATOM 776 CE LYS A 54 -9.445 -6.385 12.508 1.00 3.57 C ATOM 777 NZ LYS A 54 -9.903 -7.720 12.954 1.00 3.36 N ATOM 0 H LYS A 54 -8.727 -3.827 8.032 1.00 0.87 H new ATOM 0 HA LYS A 54 -6.436 -5.601 8.609 1.00 0.89 H new ATOM 0 HB2 LYS A 54 -9.420 -5.935 8.501 1.00 1.03 H new ATOM 0 HB3 LYS A 54 -8.342 -7.315 8.427 1.00 1.03 H new ATOM 0 HG2 LYS A 54 -7.663 -7.087 10.623 1.00 1.94 H new ATOM 0 HG3 LYS A 54 -7.700 -5.336 10.569 1.00 1.94 H new ATOM 0 HD2 LYS A 54 -10.146 -5.316 10.771 1.00 2.39 H new ATOM 0 HD3 LYS A 54 -10.219 -7.060 10.612 1.00 2.39 H new ATOM 0 HE2 LYS A 54 -8.399 -6.243 12.780 1.00 3.57 H new ATOM 0 HE3 LYS A 54 -10.015 -5.609 13.019 1.00 3.57 H new ATOM 0 HZ1 LYS A 54 -9.783 -7.802 13.984 1.00 3.36 H new ATOM 0 HZ2 LYS A 54 -10.907 -7.841 12.712 1.00 3.36 H new ATOM 0 HZ3 LYS A 54 -9.341 -8.456 12.480 1.00 3.36 H new ATOM 791 N ALA A 55 -5.868 -6.087 6.307 1.00 0.66 N ATOM 792 CA ALA A 55 -5.492 -6.470 4.956 1.00 0.57 C ATOM 793 C ALA A 55 -4.288 -7.411 5.015 1.00 0.55 C ATOM 794 O ALA A 55 -3.732 -7.648 6.086 1.00 0.64 O ATOM 795 CB ALA A 55 -5.213 -5.214 4.129 1.00 0.59 C ATOM 0 H ALA A 55 -5.095 -6.054 6.972 1.00 0.66 H new ATOM 0 HA ALA A 55 -6.305 -7.007 4.467 1.00 0.57 H new ATOM 0 HB1 ALA A 55 -4.931 -5.501 3.116 1.00 0.59 H new ATOM 0 HB2 ALA A 55 -6.109 -4.594 4.095 1.00 0.59 H new ATOM 0 HB3 ALA A 55 -4.400 -4.651 4.586 1.00 0.59 H new ATOM 801 N ALA A 56 -3.919 -7.921 3.849 1.00 0.50 N ATOM 802 CA ALA A 56 -2.789 -8.830 3.753 1.00 0.56 C ATOM 803 C ALA A 56 -1.965 -8.483 2.511 1.00 0.53 C ATOM 804 O ALA A 56 -2.517 -8.090 1.485 1.00 0.47 O ATOM 805 CB ALA A 56 -3.297 -10.273 3.732 1.00 0.64 C ATOM 0 H ALA A 56 -4.383 -7.722 2.963 1.00 0.50 H new ATOM 0 HA ALA A 56 -2.137 -8.726 4.620 1.00 0.56 H new ATOM 0 HB1 ALA A 56 -2.450 -10.956 3.660 1.00 0.64 H new ATOM 0 HB2 ALA A 56 -3.851 -10.477 4.648 1.00 0.64 H new ATOM 0 HB3 ALA A 56 -3.952 -10.416 2.873 1.00 0.64 H new ATOM 811 N VAL A 57 -0.656 -8.642 2.647 1.00 0.64 N ATOM 812 CA VAL A 57 0.250 -8.351 1.549 1.00 0.66 C ATOM 813 C VAL A 57 0.834 -9.660 1.015 1.00 0.83 C ATOM 814 O VAL A 57 1.392 -10.450 1.774 1.00 0.99 O ATOM 815 CB VAL A 57 1.322 -7.359 2.004 1.00 0.79 C ATOM 816 CG1 VAL A 57 0.704 -6.216 2.812 1.00 2.10 C ATOM 817 CG2 VAL A 57 2.418 -8.066 2.805 1.00 2.00 C ATOM 0 H VAL A 57 -0.202 -8.968 3.500 1.00 0.64 H new ATOM 0 HA VAL A 57 -0.286 -7.875 0.727 1.00 0.66 H new ATOM 0 HB VAL A 57 1.781 -6.930 1.113 1.00 0.79 H new ATOM 0 HG11 VAL A 57 1.488 -5.525 3.123 1.00 2.10 H new ATOM 0 HG12 VAL A 57 -0.023 -5.687 2.196 1.00 2.10 H new ATOM 0 HG13 VAL A 57 0.206 -6.621 3.693 1.00 2.10 H new ATOM 0 HG21 VAL A 57 3.168 -7.339 3.117 1.00 2.00 H new ATOM 0 HG22 VAL A 57 1.980 -8.535 3.686 1.00 2.00 H new ATOM 0 HG23 VAL A 57 2.888 -8.828 2.184 1.00 2.00 H new ATOM 827 N SER A 58 0.688 -9.849 -0.288 1.00 0.85 N ATOM 828 CA SER A 58 1.194 -11.049 -0.933 1.00 1.08 C ATOM 829 C SER A 58 1.736 -10.707 -2.322 1.00 0.93 C ATOM 830 O SER A 58 1.275 -9.760 -2.957 1.00 0.96 O ATOM 831 CB SER A 58 0.106 -12.119 -1.036 1.00 1.36 C ATOM 832 OG SER A 58 -0.554 -12.332 0.209 1.00 1.56 O ATOM 0 H SER A 58 0.226 -9.191 -0.915 1.00 0.85 H new ATOM 0 HA SER A 58 2.003 -11.450 -0.323 1.00 1.08 H new ATOM 0 HB2 SER A 58 -0.625 -11.821 -1.787 1.00 1.36 H new ATOM 0 HB3 SER A 58 0.549 -13.055 -1.376 1.00 1.36 H new ATOM 0 HG SER A 58 -1.242 -13.021 0.101 1.00 1.56 H new ATOM 838 N GLY A 59 2.708 -11.497 -2.753 1.00 1.09 N ATOM 839 CA GLY A 59 3.318 -11.291 -4.056 1.00 0.97 C ATOM 840 C GLY A 59 2.529 -12.012 -5.151 1.00 1.01 C ATOM 841 O GLY A 59 1.887 -13.029 -4.893 1.00 1.17 O ATOM 0 H GLY A 59 3.089 -12.281 -2.223 1.00 1.09 H new ATOM 0 HA2 GLY A 59 3.362 -10.224 -4.277 1.00 0.97 H new ATOM 0 HA3 GLY A 59 4.345 -11.656 -4.043 1.00 0.97 H new ATOM 885 N LYS A 64 8.890 -10.062 -7.642 1.00 0.72 N ATOM 886 CA LYS A 64 9.169 -8.654 -7.866 1.00 0.68 C ATOM 887 C LYS A 64 7.850 -7.883 -7.940 1.00 0.61 C ATOM 888 O LYS A 64 7.838 -6.655 -7.856 1.00 0.67 O ATOM 889 CB LYS A 64 10.056 -8.473 -9.100 1.00 0.76 C ATOM 890 CG LYS A 64 9.315 -8.886 -10.373 1.00 0.80 C ATOM 891 CD LYS A 64 10.246 -9.632 -11.332 1.00 1.42 C ATOM 892 CE LYS A 64 10.983 -8.657 -12.252 1.00 2.11 C ATOM 893 NZ LYS A 64 12.424 -8.985 -12.308 1.00 3.48 N ATOM 0 HA LYS A 64 9.735 -8.241 -7.031 1.00 0.68 H new ATOM 0 HB2 LYS A 64 10.368 -7.432 -9.178 1.00 0.76 H new ATOM 0 HB3 LYS A 64 10.962 -9.070 -8.992 1.00 0.76 H new ATOM 0 HG2 LYS A 64 8.468 -9.521 -10.115 1.00 0.80 H new ATOM 0 HG3 LYS A 64 8.912 -8.002 -10.866 1.00 0.80 H new ATOM 0 HD2 LYS A 64 10.969 -10.216 -10.762 1.00 1.42 H new ATOM 0 HD3 LYS A 64 9.668 -10.336 -11.931 1.00 1.42 H new ATOM 0 HE2 LYS A 64 10.555 -8.699 -13.254 1.00 2.11 H new ATOM 0 HE3 LYS A 64 10.850 -7.637 -11.892 1.00 2.11 H new ATOM 0 HZ1 LYS A 64 12.909 -8.313 -12.937 1.00 3.48 H new ATOM 0 HZ2 LYS A 64 12.832 -8.922 -11.353 1.00 3.48 H new ATOM 0 HZ3 LYS A 64 12.546 -9.951 -12.673 1.00 3.48 H new ATOM 907 N THR A 65 6.770 -8.634 -8.097 1.00 0.58 N ATOM 908 CA THR A 65 5.448 -8.036 -8.182 1.00 0.57 C ATOM 909 C THR A 65 4.657 -8.305 -6.901 1.00 0.50 C ATOM 910 O THR A 65 4.407 -9.459 -6.553 1.00 0.51 O ATOM 911 CB THR A 65 4.766 -8.574 -9.442 1.00 0.67 C ATOM 912 OG1 THR A 65 5.356 -7.825 -10.502 1.00 0.76 O ATOM 913 CG2 THR A 65 3.282 -8.207 -9.508 1.00 0.75 C ATOM 0 H THR A 65 6.783 -9.651 -8.168 1.00 0.58 H new ATOM 0 HA THR A 65 5.510 -6.951 -8.266 1.00 0.57 H new ATOM 0 HB THR A 65 4.873 -9.658 -9.478 1.00 0.67 H new ATOM 0 HG1 THR A 65 5.031 -6.901 -10.470 1.00 0.76 H new ATOM 0 HG21 THR A 65 2.847 -8.613 -10.421 1.00 0.75 H new ATOM 0 HG22 THR A 65 2.765 -8.624 -8.643 1.00 0.75 H new ATOM 0 HG23 THR A 65 3.175 -7.122 -9.506 1.00 0.75 H new ATOM 921 N MET A 66 4.284 -7.223 -6.236 1.00 0.57 N ATOM 922 CA MET A 66 3.525 -7.328 -5.001 1.00 0.53 C ATOM 923 C MET A 66 2.043 -7.036 -5.241 1.00 0.47 C ATOM 924 O MET A 66 1.683 -6.402 -6.233 1.00 0.43 O ATOM 925 CB MET A 66 4.081 -6.339 -3.974 1.00 0.53 C ATOM 926 CG MET A 66 4.613 -7.071 -2.740 1.00 0.63 C ATOM 927 SD MET A 66 6.387 -6.899 -2.646 1.00 1.56 S ATOM 928 CE MET A 66 6.877 -8.024 -3.941 1.00 0.97 C ATOM 0 H MET A 66 4.493 -6.268 -6.528 1.00 0.57 H new ATOM 0 HA MET A 66 3.618 -8.347 -4.625 1.00 0.53 H new ATOM 0 HB2 MET A 66 4.880 -5.751 -4.425 1.00 0.53 H new ATOM 0 HB3 MET A 66 3.300 -5.639 -3.677 1.00 0.53 H new ATOM 0 HG2 MET A 66 4.152 -6.665 -1.839 1.00 0.63 H new ATOM 0 HG3 MET A 66 4.344 -8.126 -2.789 1.00 0.63 H new ATOM 0 HE1 MET A 66 7.953 -8.189 -3.892 1.00 0.97 H new ATOM 0 HE2 MET A 66 6.358 -8.974 -3.813 1.00 0.97 H new ATOM 0 HE3 MET A 66 6.619 -7.597 -4.910 1.00 0.97 H new ATOM 938 N VAL A 67 1.221 -7.510 -4.316 1.00 0.55 N ATOM 939 CA VAL A 67 -0.215 -7.308 -4.415 1.00 0.53 C ATOM 940 C VAL A 67 -0.826 -7.331 -3.013 1.00 0.55 C ATOM 941 O VAL A 67 -0.647 -8.295 -2.270 1.00 0.70 O ATOM 942 CB VAL A 67 -0.827 -8.351 -5.352 1.00 0.60 C ATOM 943 CG1 VAL A 67 -0.524 -9.770 -4.866 1.00 2.86 C ATOM 944 CG2 VAL A 67 -2.334 -8.134 -5.503 1.00 2.27 C ATOM 0 H VAL A 67 1.522 -8.034 -3.494 1.00 0.55 H new ATOM 0 HA VAL A 67 -0.435 -6.333 -4.849 1.00 0.53 H new ATOM 0 HB VAL A 67 -0.370 -8.229 -6.334 1.00 0.60 H new ATOM 0 HG11 VAL A 67 -0.970 -10.492 -5.550 1.00 2.86 H new ATOM 0 HG12 VAL A 67 0.555 -9.921 -4.833 1.00 2.86 H new ATOM 0 HG13 VAL A 67 -0.941 -9.910 -3.868 1.00 2.86 H new ATOM 0 HG21 VAL A 67 -2.745 -8.888 -6.174 1.00 2.27 H new ATOM 0 HG22 VAL A 67 -2.813 -8.217 -4.527 1.00 2.27 H new ATOM 0 HG23 VAL A 67 -2.519 -7.142 -5.915 1.00 2.27 H new ATOM 954 N ILE A 68 -1.535 -6.258 -2.693 1.00 0.46 N ATOM 955 CA ILE A 68 -2.174 -6.143 -1.394 1.00 0.48 C ATOM 956 C ILE A 68 -3.663 -6.467 -1.531 1.00 0.47 C ATOM 957 O ILE A 68 -4.368 -5.841 -2.321 1.00 0.47 O ATOM 958 CB ILE A 68 -1.898 -4.769 -0.780 1.00 0.52 C ATOM 959 CG1 ILE A 68 -0.704 -4.825 0.174 1.00 0.57 C ATOM 960 CG2 ILE A 68 -3.149 -4.210 -0.101 1.00 0.57 C ATOM 961 CD1 ILE A 68 0.617 -4.765 -0.596 1.00 0.57 C ATOM 0 H ILE A 68 -1.681 -5.460 -3.312 1.00 0.46 H new ATOM 0 HA ILE A 68 -1.753 -6.868 -0.698 1.00 0.48 H new ATOM 0 HB ILE A 68 -1.635 -4.082 -1.584 1.00 0.52 H new ATOM 0 HG12 ILE A 68 -0.757 -3.994 0.878 1.00 0.57 H new ATOM 0 HG13 ILE A 68 -0.746 -5.743 0.761 1.00 0.57 H new ATOM 0 HG21 ILE A 68 -2.925 -3.233 0.327 1.00 0.57 H new ATOM 0 HG22 ILE A 68 -3.948 -4.110 -0.836 1.00 0.57 H new ATOM 0 HG23 ILE A 68 -3.467 -4.888 0.691 1.00 0.57 H new ATOM 0 HD11 ILE A 68 1.450 -4.806 0.106 1.00 0.57 H new ATOM 0 HD12 ILE A 68 0.678 -5.611 -1.281 1.00 0.57 H new ATOM 0 HD13 ILE A 68 0.666 -3.835 -1.162 1.00 0.57 H new ATOM 973 N THR A 69 -4.098 -7.446 -0.751 1.00 0.48 N ATOM 974 CA THR A 69 -5.491 -7.860 -0.776 1.00 0.49 C ATOM 975 C THR A 69 -6.118 -7.707 0.611 1.00 0.43 C ATOM 976 O THR A 69 -5.755 -8.422 1.542 1.00 0.55 O ATOM 977 CB THR A 69 -5.548 -9.291 -1.314 1.00 0.65 C ATOM 978 OG1 THR A 69 -6.074 -9.147 -2.630 1.00 0.75 O ATOM 979 CG2 THR A 69 -6.588 -10.148 -0.590 1.00 0.63 C ATOM 0 H THR A 69 -3.511 -7.964 -0.098 1.00 0.48 H new ATOM 0 HA THR A 69 -6.081 -7.225 -1.436 1.00 0.49 H new ATOM 0 HB THR A 69 -4.566 -9.753 -1.218 1.00 0.65 H new ATOM 0 HG1 THR A 69 -6.143 -10.028 -3.053 1.00 0.75 H new ATOM 0 HG21 THR A 69 -6.587 -11.154 -1.011 1.00 0.63 H new ATOM 0 HG22 THR A 69 -6.343 -10.198 0.471 1.00 0.63 H new ATOM 0 HG23 THR A 69 -7.576 -9.704 -0.714 1.00 0.63 H new ATOM 987 N PRO A 70 -7.073 -6.744 0.705 1.00 0.42 N ATOM 988 CA PRO A 70 -7.754 -6.487 1.963 1.00 0.47 C ATOM 989 C PRO A 70 -8.780 -7.582 2.264 1.00 0.45 C ATOM 990 O PRO A 70 -9.525 -8.001 1.381 1.00 0.54 O ATOM 991 CB PRO A 70 -8.385 -5.114 1.796 1.00 0.66 C ATOM 992 CG PRO A 70 -8.427 -4.853 0.299 1.00 0.74 C ATOM 993 CD PRO A 70 -7.529 -5.877 -0.377 1.00 0.58 C ATOM 0 HA PRO A 70 -7.077 -6.499 2.817 1.00 0.47 H new ATOM 0 HB2 PRO A 70 -9.387 -5.090 2.225 1.00 0.66 H new ATOM 0 HB3 PRO A 70 -7.800 -4.351 2.309 1.00 0.66 H new ATOM 0 HG2 PRO A 70 -9.448 -4.935 -0.074 1.00 0.74 H new ATOM 0 HG3 PRO A 70 -8.087 -3.841 0.078 1.00 0.74 H new ATOM 0 HD2 PRO A 70 -8.073 -6.442 -1.134 1.00 0.58 H new ATOM 0 HD3 PRO A 70 -6.690 -5.397 -0.880 1.00 0.58 H new ATOM 1001 N ALA A 71 -8.784 -8.015 3.517 1.00 0.52 N ATOM 1002 CA ALA A 71 -9.705 -9.054 3.947 1.00 0.58 C ATOM 1003 C ALA A 71 -11.100 -8.452 4.122 1.00 0.59 C ATOM 1004 O ALA A 71 -12.099 -9.169 4.084 1.00 0.77 O ATOM 1005 CB ALA A 71 -9.183 -9.699 5.231 1.00 0.68 C ATOM 0 H ALA A 71 -8.164 -7.665 4.248 1.00 0.52 H new ATOM 0 HA ALA A 71 -9.777 -9.839 3.194 1.00 0.58 H new ATOM 0 HB1 ALA A 71 -9.874 -10.478 5.554 1.00 0.68 H new ATOM 0 HB2 ALA A 71 -8.202 -10.137 5.045 1.00 0.68 H new ATOM 0 HB3 ALA A 71 -9.100 -8.942 6.011 1.00 0.68 H new ATOM 1011 N SER A 72 -11.125 -7.141 4.308 1.00 0.56 N ATOM 1012 CA SER A 72 -12.382 -6.433 4.488 1.00 0.62 C ATOM 1013 C SER A 72 -12.613 -5.472 3.320 1.00 0.57 C ATOM 1014 O SER A 72 -11.661 -4.998 2.704 1.00 0.52 O ATOM 1015 CB SER A 72 -12.399 -5.670 5.814 1.00 0.69 C ATOM 1016 OG SER A 72 -13.623 -5.855 6.520 1.00 0.87 O ATOM 0 H SER A 72 -10.295 -6.549 4.338 1.00 0.56 H new ATOM 0 HA SER A 72 -13.188 -7.167 4.511 1.00 0.62 H new ATOM 0 HB2 SER A 72 -11.568 -6.004 6.435 1.00 0.69 H new ATOM 0 HB3 SER A 72 -12.247 -4.608 5.623 1.00 0.69 H new ATOM 0 HG SER A 72 -13.594 -5.354 7.362 1.00 0.87 H new ATOM 1022 N PRO A 73 -13.919 -5.207 3.045 1.00 0.61 N ATOM 1023 CA PRO A 73 -14.288 -4.311 1.962 1.00 0.59 C ATOM 1024 C PRO A 73 -14.037 -2.852 2.348 1.00 0.54 C ATOM 1025 O PRO A 73 -14.511 -2.391 3.386 1.00 0.62 O ATOM 1026 CB PRO A 73 -15.753 -4.610 1.687 1.00 0.68 C ATOM 1027 CG PRO A 73 -16.272 -5.323 2.925 1.00 0.73 C ATOM 1028 CD PRO A 73 -15.073 -5.751 3.754 1.00 0.69 C ATOM 0 HA PRO A 73 -13.689 -4.465 1.065 1.00 0.59 H new ATOM 0 HB2 PRO A 73 -16.311 -3.692 1.502 1.00 0.68 H new ATOM 0 HB3 PRO A 73 -15.865 -5.235 0.801 1.00 0.68 H new ATOM 0 HG2 PRO A 73 -16.919 -4.663 3.502 1.00 0.73 H new ATOM 0 HG3 PRO A 73 -16.870 -6.190 2.644 1.00 0.73 H new ATOM 0 HD2 PRO A 73 -15.134 -5.360 4.770 1.00 0.69 H new ATOM 0 HD3 PRO A 73 -15.013 -6.836 3.833 1.00 0.69 H new ATOM 1036 N LEU A 74 -13.294 -2.167 1.492 1.00 0.45 N ATOM 1037 CA LEU A 74 -12.975 -0.769 1.731 1.00 0.43 C ATOM 1038 C LEU A 74 -14.209 0.088 1.444 1.00 0.46 C ATOM 1039 O LEU A 74 -14.687 0.135 0.311 1.00 0.51 O ATOM 1040 CB LEU A 74 -11.741 -0.357 0.926 1.00 0.46 C ATOM 1041 CG LEU A 74 -10.476 -1.185 1.167 1.00 0.48 C ATOM 1042 CD1 LEU A 74 -9.462 -0.976 0.041 1.00 0.56 C ATOM 1043 CD2 LEU A 74 -9.876 -0.885 2.542 1.00 0.48 C ATOM 0 H LEU A 74 -12.904 -2.553 0.632 1.00 0.45 H new ATOM 0 HA LEU A 74 -12.713 -0.612 2.777 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -11.989 -0.409 -0.134 1.00 0.46 H new ATOM 0 HB3 LEU A 74 -11.517 0.686 1.150 1.00 0.46 H new ATOM 0 HG LEU A 74 -10.752 -2.239 1.161 1.00 0.48 H new ATOM 0 HD11 LEU A 74 -8.573 -1.575 0.236 1.00 0.56 H new ATOM 0 HD12 LEU A 74 -9.904 -1.281 -0.908 1.00 0.56 H new ATOM 0 HD13 LEU A 74 -9.186 0.077 -0.009 1.00 0.56 H new ATOM 0 HD21 LEU A 74 -8.979 -1.487 2.687 1.00 0.48 H new ATOM 0 HD22 LEU A 74 -9.618 0.172 2.603 1.00 0.48 H new ATOM 0 HD23 LEU A 74 -10.604 -1.126 3.317 1.00 0.48 H new ATOM 1055 N THR A 75 -14.691 0.743 2.490 1.00 0.47 N ATOM 1056 CA THR A 75 -15.861 1.597 2.364 1.00 0.54 C ATOM 1057 C THR A 75 -15.447 3.016 1.974 1.00 0.55 C ATOM 1058 O THR A 75 -14.260 3.338 1.956 1.00 0.56 O ATOM 1059 CB THR A 75 -16.638 1.529 3.680 1.00 0.63 C ATOM 1060 OG1 THR A 75 -15.895 2.362 4.565 1.00 0.88 O ATOM 1061 CG2 THR A 75 -16.573 0.144 4.329 1.00 0.61 C ATOM 0 H THR A 75 -14.293 0.700 3.428 1.00 0.47 H new ATOM 0 HA THR A 75 -16.517 1.254 1.564 1.00 0.54 H new ATOM 0 HB THR A 75 -17.679 1.797 3.500 1.00 0.63 H new ATOM 0 HG1 THR A 75 -16.330 2.377 5.443 1.00 0.88 H new ATOM 0 HG21 THR A 75 -17.141 0.151 5.259 1.00 0.61 H new ATOM 0 HG22 THR A 75 -16.998 -0.596 3.651 1.00 0.61 H new ATOM 0 HG23 THR A 75 -15.534 -0.111 4.540 1.00 0.61 H new ATOM 1069 N ALA A 76 -16.449 3.830 1.674 1.00 0.56 N ATOM 1070 CA ALA A 76 -16.203 5.208 1.287 1.00 0.60 C ATOM 1071 C ALA A 76 -15.333 5.884 2.348 1.00 0.59 C ATOM 1072 O ALA A 76 -15.231 5.400 3.474 1.00 0.69 O ATOM 1073 CB ALA A 76 -17.538 5.927 1.084 1.00 0.72 C ATOM 0 H ALA A 76 -17.433 3.561 1.691 1.00 0.56 H new ATOM 0 HA ALA A 76 -15.662 5.250 0.342 1.00 0.60 H new ATOM 0 HB1 ALA A 76 -17.354 6.961 0.794 1.00 0.72 H new ATOM 0 HB2 ALA A 76 -18.106 5.426 0.300 1.00 0.72 H new ATOM 0 HB3 ALA A 76 -18.107 5.907 2.013 1.00 0.72 H new ATOM 1079 N GLY A 77 -14.727 6.994 1.951 1.00 0.59 N ATOM 1080 CA GLY A 77 -13.869 7.742 2.854 1.00 0.59 C ATOM 1081 C GLY A 77 -12.484 7.957 2.241 1.00 0.53 C ATOM 1082 O GLY A 77 -12.334 7.957 1.020 1.00 0.54 O ATOM 0 H GLY A 77 -14.813 7.393 1.016 1.00 0.59 H new ATOM 0 HA2 GLY A 77 -14.325 8.706 3.079 1.00 0.59 H new ATOM 0 HA3 GLY A 77 -13.774 7.206 3.798 1.00 0.59 H new ATOM 1086 N THR A 78 -11.505 8.134 3.117 1.00 0.54 N ATOM 1087 CA THR A 78 -10.137 8.350 2.677 1.00 0.50 C ATOM 1088 C THR A 78 -9.179 7.447 3.456 1.00 0.44 C ATOM 1089 O THR A 78 -9.283 7.329 4.676 1.00 0.49 O ATOM 1090 CB THR A 78 -9.822 9.841 2.824 1.00 0.55 C ATOM 1091 OG1 THR A 78 -10.633 10.465 1.833 1.00 0.65 O ATOM 1092 CG2 THR A 78 -8.391 10.181 2.405 1.00 0.65 C ATOM 0 H THR A 78 -11.632 8.132 4.129 1.00 0.54 H new ATOM 0 HA THR A 78 -10.011 8.079 1.629 1.00 0.50 H new ATOM 0 HB THR A 78 -9.978 10.145 3.859 1.00 0.55 H new ATOM 0 HG1 THR A 78 -10.617 11.436 1.961 1.00 0.65 H new ATOM 0 HG21 THR A 78 -8.220 11.250 2.529 1.00 0.65 H new ATOM 0 HG22 THR A 78 -7.688 9.627 3.027 1.00 0.65 H new ATOM 0 HG23 THR A 78 -8.243 9.908 1.360 1.00 0.65 H new ATOM 1100 N TYR A 79 -8.264 6.833 2.718 1.00 0.39 N ATOM 1101 CA TYR A 79 -7.288 5.944 3.324 1.00 0.37 C ATOM 1102 C TYR A 79 -5.893 6.187 2.746 1.00 0.35 C ATOM 1103 O TYR A 79 -5.757 6.652 1.615 1.00 0.37 O ATOM 1104 CB TYR A 79 -7.734 4.524 2.970 1.00 0.38 C ATOM 1105 CG TYR A 79 -9.185 4.216 3.342 1.00 0.40 C ATOM 1106 CD1 TYR A 79 -10.217 4.843 2.674 1.00 1.95 C ATOM 1107 CD2 TYR A 79 -9.462 3.309 4.346 1.00 1.71 C ATOM 1108 CE1 TYR A 79 -11.583 4.553 3.025 1.00 2.00 C ATOM 1109 CE2 TYR A 79 -10.829 3.020 4.696 1.00 1.69 C ATOM 1110 CZ TYR A 79 -11.822 3.656 4.018 1.00 0.54 C ATOM 1111 OH TYR A 79 -13.112 3.382 4.349 1.00 0.63 O ATOM 0 H TYR A 79 -8.179 6.934 1.707 1.00 0.39 H new ATOM 0 HA TYR A 79 -7.234 6.109 4.400 1.00 0.37 H new ATOM 0 HB2 TYR A 79 -7.604 4.370 1.899 1.00 0.38 H new ATOM 0 HB3 TYR A 79 -7.081 3.813 3.476 1.00 0.38 H new ATOM 0 HD1 TYR A 79 -10.000 5.551 1.888 1.00 1.95 H new ATOM 0 HD2 TYR A 79 -8.655 2.817 4.868 1.00 1.71 H new ATOM 0 HE1 TYR A 79 -12.400 5.038 2.511 1.00 2.00 H new ATOM 0 HE2 TYR A 79 -11.060 2.314 5.480 1.00 1.69 H new ATOM 0 HH TYR A 79 -13.703 3.655 3.616 1.00 0.63 H new ATOM 1121 N LYS A 80 -4.890 5.862 3.548 1.00 0.54 N ATOM 1122 CA LYS A 80 -3.509 6.040 3.131 1.00 0.59 C ATOM 1123 C LYS A 80 -2.784 4.694 3.196 1.00 0.53 C ATOM 1124 O LYS A 80 -2.601 4.136 4.277 1.00 0.50 O ATOM 1125 CB LYS A 80 -2.838 7.141 3.954 1.00 0.66 C ATOM 1126 CG LYS A 80 -2.404 8.306 3.062 1.00 1.63 C ATOM 1127 CD LYS A 80 -1.304 7.871 2.089 1.00 2.71 C ATOM 1128 CE LYS A 80 -0.398 9.049 1.726 1.00 3.20 C ATOM 1129 NZ LYS A 80 0.682 9.200 2.726 1.00 3.24 N ATOM 0 H LYS A 80 -5.006 5.476 4.485 1.00 0.54 H new ATOM 0 HA LYS A 80 -3.464 6.377 2.095 1.00 0.59 H new ATOM 0 HB2 LYS A 80 -3.528 7.501 4.718 1.00 0.66 H new ATOM 0 HB3 LYS A 80 -1.971 6.734 4.474 1.00 0.66 H new ATOM 0 HG2 LYS A 80 -3.262 8.680 2.503 1.00 1.63 H new ATOM 0 HG3 LYS A 80 -2.043 9.128 3.681 1.00 1.63 H new ATOM 0 HD2 LYS A 80 -0.710 7.075 2.538 1.00 2.71 H new ATOM 0 HD3 LYS A 80 -1.754 7.461 1.185 1.00 2.71 H new ATOM 0 HE2 LYS A 80 0.033 8.892 0.737 1.00 3.20 H new ATOM 0 HE3 LYS A 80 -0.986 9.966 1.676 1.00 3.20 H new ATOM 0 HZ1 LYS A 80 1.592 9.321 2.238 1.00 3.24 H new ATOM 0 HZ2 LYS A 80 0.493 10.034 3.318 1.00 3.24 H new ATOM 0 HZ3 LYS A 80 0.721 8.351 3.326 1.00 3.24 H new ATOM 1143 N VAL A 81 -2.391 4.213 2.026 1.00 0.56 N ATOM 1144 CA VAL A 81 -1.689 2.943 1.937 1.00 0.53 C ATOM 1145 C VAL A 81 -0.181 3.193 2.003 1.00 0.52 C ATOM 1146 O VAL A 81 0.440 3.532 0.996 1.00 0.51 O ATOM 1147 CB VAL A 81 -2.117 2.196 0.673 1.00 0.58 C ATOM 1148 CG1 VAL A 81 -1.281 0.931 0.474 1.00 0.66 C ATOM 1149 CG2 VAL A 81 -3.611 1.867 0.710 1.00 0.57 C ATOM 0 H VAL A 81 -2.545 4.679 1.132 1.00 0.56 H new ATOM 0 HA VAL A 81 -1.949 2.303 2.780 1.00 0.53 H new ATOM 0 HB VAL A 81 -1.940 2.851 -0.180 1.00 0.58 H new ATOM 0 HG11 VAL A 81 -1.606 0.419 -0.432 1.00 0.66 H new ATOM 0 HG12 VAL A 81 -0.229 1.201 0.381 1.00 0.66 H new ATOM 0 HG13 VAL A 81 -1.411 0.270 1.331 1.00 0.66 H new ATOM 0 HG21 VAL A 81 -3.889 1.336 -0.200 1.00 0.57 H new ATOM 0 HG22 VAL A 81 -3.824 1.240 1.576 1.00 0.57 H new ATOM 0 HG23 VAL A 81 -4.185 2.791 0.781 1.00 0.57 H new ATOM 1159 N ASP A 82 0.364 3.017 3.198 1.00 0.66 N ATOM 1160 CA ASP A 82 1.789 3.218 3.407 1.00 0.67 C ATOM 1161 C ASP A 82 2.534 1.918 3.100 1.00 0.66 C ATOM 1162 O ASP A 82 2.314 0.902 3.759 1.00 0.71 O ATOM 1163 CB ASP A 82 2.082 3.601 4.859 1.00 0.73 C ATOM 1164 CG ASP A 82 1.372 4.863 5.352 1.00 0.90 C ATOM 1165 OD1 ASP A 82 0.304 5.235 4.842 1.00 1.64 O ATOM 1166 OD2 ASP A 82 1.967 5.483 6.313 1.00 1.74 O ATOM 0 H ASP A 82 -0.154 2.738 4.031 1.00 0.66 H new ATOM 0 HA ASP A 82 2.117 4.022 2.748 1.00 0.67 H new ATOM 0 HB2 ASP A 82 1.799 2.768 5.503 1.00 0.73 H new ATOM 0 HB3 ASP A 82 3.157 3.740 4.972 1.00 0.73 H new ATOM 1171 N TRP A 83 3.400 1.991 2.100 1.00 0.63 N ATOM 1172 CA TRP A 83 4.180 0.833 1.699 1.00 0.64 C ATOM 1173 C TRP A 83 5.653 1.132 1.984 1.00 0.66 C ATOM 1174 O TRP A 83 6.053 2.294 2.047 1.00 0.65 O ATOM 1175 CB TRP A 83 3.915 0.475 0.236 1.00 0.62 C ATOM 1176 CG TRP A 83 4.182 1.619 -0.744 1.00 0.53 C ATOM 1177 CD1 TRP A 83 3.287 2.376 -1.393 1.00 0.53 C ATOM 1178 CD2 TRP A 83 5.475 2.109 -1.161 1.00 0.50 C ATOM 1179 NE1 TRP A 83 3.905 3.314 -2.195 1.00 0.49 N ATOM 1180 CE2 TRP A 83 5.277 3.147 -2.050 1.00 0.47 C ATOM 1181 CE3 TRP A 83 6.767 1.689 -0.800 1.00 0.54 C ATOM 1182 CZ2 TRP A 83 6.327 3.851 -2.651 1.00 0.48 C ATOM 1183 CZ3 TRP A 83 7.805 2.403 -1.410 1.00 0.54 C ATOM 1184 CH2 TRP A 83 7.623 3.450 -2.306 1.00 0.52 C ATOM 0 H TRP A 83 3.579 2.835 1.555 1.00 0.63 H new ATOM 0 HA TRP A 83 3.887 -0.047 2.272 1.00 0.64 H new ATOM 0 HB2 TRP A 83 4.538 -0.376 -0.037 1.00 0.62 H new ATOM 0 HB3 TRP A 83 2.878 0.157 0.133 1.00 0.62 H new ATOM 0 HD1 TRP A 83 2.217 2.266 -1.300 1.00 0.53 H new ATOM 0 HE1 TRP A 83 3.440 4.003 -2.786 1.00 0.49 H new ATOM 0 HE3 TRP A 83 6.945 0.880 -0.107 1.00 0.54 H new ATOM 0 HZ2 TRP A 83 6.147 4.660 -3.344 1.00 0.48 H new ATOM 0 HZ3 TRP A 83 8.819 2.120 -1.167 1.00 0.54 H new ATOM 0 HH2 TRP A 83 8.478 3.952 -2.734 1.00 0.52 H new ATOM 1195 N ARG A 84 6.419 0.064 2.149 1.00 0.72 N ATOM 1196 CA ARG A 84 7.840 0.197 2.426 1.00 0.76 C ATOM 1197 C ARG A 84 8.636 -0.833 1.623 1.00 0.80 C ATOM 1198 O ARG A 84 8.468 -2.037 1.812 1.00 0.82 O ATOM 1199 CB ARG A 84 8.129 0.008 3.916 1.00 0.76 C ATOM 1200 CG ARG A 84 8.510 1.337 4.574 1.00 0.95 C ATOM 1201 CD ARG A 84 9.307 1.103 5.858 1.00 2.16 C ATOM 1202 NE ARG A 84 8.392 0.747 6.966 1.00 1.90 N ATOM 1203 CZ ARG A 84 8.785 0.149 8.111 1.00 2.84 C ATOM 1204 NH1 ARG A 84 10.083 -0.164 8.309 1.00 4.04 N ATOM 1205 NH2 ARG A 84 7.882 -0.124 9.033 1.00 3.40 N ATOM 0 H ARG A 84 6.083 -0.898 2.096 1.00 0.72 H new ATOM 0 HA ARG A 84 8.143 1.202 2.133 1.00 0.76 H new ATOM 0 HB2 ARG A 84 7.251 -0.408 4.410 1.00 0.76 H new ATOM 0 HB3 ARG A 84 8.938 -0.711 4.045 1.00 0.76 H new ATOM 0 HG2 ARG A 84 9.100 1.935 3.879 1.00 0.95 H new ATOM 0 HG3 ARG A 84 7.609 1.907 4.800 1.00 0.95 H new ATOM 0 HD2 ARG A 84 10.033 0.304 5.704 1.00 2.16 H new ATOM 0 HD3 ARG A 84 9.870 2.000 6.115 1.00 2.16 H new ATOM 0 HE ARG A 84 7.402 0.967 6.858 1.00 1.90 H new ATOM 0 HH11 ARG A 84 10.775 0.051 7.591 1.00 4.04 H new ATOM 0 HH12 ARG A 84 10.372 -0.616 9.177 1.00 4.04 H new ATOM 0 HH21 ARG A 84 6.903 0.116 8.875 1.00 3.40 H new ATOM 0 HH22 ARG A 84 8.162 -0.576 9.904 1.00 3.40 H new ATOM 1324 N ILE A 93 13.253 2.157 1.891 1.00 0.80 N ATOM 1325 CA ILE A 93 12.464 3.055 1.065 1.00 0.78 C ATOM 1326 C ILE A 93 11.038 3.128 1.618 1.00 0.82 C ATOM 1327 O ILE A 93 10.365 2.106 1.748 1.00 1.01 O ATOM 1328 CB ILE A 93 12.532 2.631 -0.403 1.00 0.85 C ATOM 1329 CG1 ILE A 93 13.981 2.410 -0.843 1.00 1.36 C ATOM 1330 CG2 ILE A 93 11.808 3.638 -1.299 1.00 1.54 C ATOM 1331 CD1 ILE A 93 14.285 0.920 -1.001 1.00 2.58 C ATOM 0 HA ILE A 93 12.874 4.065 1.101 1.00 0.78 H new ATOM 0 HB ILE A 93 12.015 1.677 -0.507 1.00 0.85 H new ATOM 0 HG12 ILE A 93 14.160 2.923 -1.788 1.00 1.36 H new ATOM 0 HG13 ILE A 93 14.658 2.847 -0.109 1.00 1.36 H new ATOM 0 HG21 ILE A 93 11.872 3.313 -2.337 1.00 1.54 H new ATOM 0 HG22 ILE A 93 10.761 3.702 -1.002 1.00 1.54 H new ATOM 0 HG23 ILE A 93 12.275 4.618 -1.197 1.00 1.54 H new ATOM 0 HD11 ILE A 93 15.321 0.791 -1.314 1.00 2.58 H new ATOM 0 HD12 ILE A 93 14.128 0.414 -0.049 1.00 2.58 H new ATOM 0 HD13 ILE A 93 13.623 0.491 -1.753 1.00 2.58 H new ATOM 1343 N THR A 94 10.619 4.346 1.928 1.00 0.80 N ATOM 1344 CA THR A 94 9.287 4.566 2.464 1.00 0.88 C ATOM 1345 C THR A 94 8.410 5.279 1.433 1.00 0.81 C ATOM 1346 O THR A 94 8.857 6.216 0.773 1.00 0.98 O ATOM 1347 CB THR A 94 9.427 5.335 3.779 1.00 1.03 C ATOM 1348 OG1 THR A 94 10.134 6.517 3.416 1.00 1.02 O ATOM 1349 CG2 THR A 94 10.358 4.633 4.770 1.00 1.13 C ATOM 0 H THR A 94 11.179 5.191 1.818 1.00 0.80 H new ATOM 0 HA THR A 94 8.784 3.622 2.676 1.00 0.88 H new ATOM 0 HB THR A 94 8.444 5.463 4.232 1.00 1.03 H new ATOM 0 HG1 THR A 94 10.267 7.076 4.210 1.00 1.02 H new ATOM 0 HG21 THR A 94 10.423 5.220 5.686 1.00 1.13 H new ATOM 0 HG22 THR A 94 9.965 3.643 5.000 1.00 1.13 H new ATOM 0 HG23 THR A 94 11.351 4.536 4.330 1.00 1.13 H new ATOM 1357 N GLY A 95 7.175 4.809 1.329 1.00 0.63 N ATOM 1358 CA GLY A 95 6.231 5.390 0.389 1.00 0.55 C ATOM 1359 C GLY A 95 4.789 5.113 0.819 1.00 0.46 C ATOM 1360 O GLY A 95 4.535 4.197 1.600 1.00 0.50 O ATOM 0 H GLY A 95 6.807 4.033 1.880 1.00 0.63 H new ATOM 0 HA2 GLY A 95 6.394 6.466 0.322 1.00 0.55 H new ATOM 0 HA3 GLY A 95 6.403 4.979 -0.606 1.00 0.55 H new ATOM 1364 N SER A 96 3.882 5.922 0.292 1.00 0.42 N ATOM 1365 CA SER A 96 2.472 5.775 0.612 1.00 0.41 C ATOM 1366 C SER A 96 1.621 6.077 -0.624 1.00 0.38 C ATOM 1367 O SER A 96 2.120 6.618 -1.608 1.00 0.56 O ATOM 1368 CB SER A 96 2.071 6.693 1.769 1.00 0.56 C ATOM 1369 OG SER A 96 3.179 7.009 2.608 1.00 0.73 O ATOM 0 H SER A 96 4.096 6.681 -0.354 1.00 0.42 H new ATOM 0 HA SER A 96 2.297 4.745 0.923 1.00 0.41 H new ATOM 0 HB2 SER A 96 1.644 7.613 1.370 1.00 0.56 H new ATOM 0 HB3 SER A 96 1.293 6.211 2.362 1.00 0.56 H new ATOM 0 HG SER A 96 2.852 7.314 3.480 1.00 0.73 H new ATOM 1375 N VAL A 97 0.350 5.713 -0.531 1.00 0.37 N ATOM 1376 CA VAL A 97 -0.575 5.937 -1.629 1.00 0.32 C ATOM 1377 C VAL A 97 -1.965 6.234 -1.065 1.00 0.33 C ATOM 1378 O VAL A 97 -2.669 5.325 -0.625 1.00 0.33 O ATOM 1379 CB VAL A 97 -0.558 4.739 -2.580 1.00 0.30 C ATOM 1380 CG1 VAL A 97 -1.340 5.045 -3.860 1.00 0.38 C ATOM 1381 CG2 VAL A 97 0.875 4.313 -2.900 1.00 0.39 C ATOM 0 H VAL A 97 -0.061 5.265 0.288 1.00 0.37 H new ATOM 0 HA VAL A 97 -0.270 6.804 -2.215 1.00 0.32 H new ATOM 0 HB VAL A 97 -1.050 3.905 -2.079 1.00 0.30 H new ATOM 0 HG11 VAL A 97 -1.313 4.177 -4.519 1.00 0.38 H new ATOM 0 HG12 VAL A 97 -2.375 5.276 -3.608 1.00 0.38 H new ATOM 0 HG13 VAL A 97 -0.890 5.899 -4.366 1.00 0.38 H new ATOM 0 HG21 VAL A 97 0.858 3.460 -3.578 1.00 0.39 H new ATOM 0 HG22 VAL A 97 1.404 5.141 -3.372 1.00 0.39 H new ATOM 0 HG23 VAL A 97 1.386 4.034 -1.978 1.00 0.39 H new ATOM 1391 N THR A 98 -2.322 7.510 -1.096 1.00 0.35 N ATOM 1392 CA THR A 98 -3.617 7.938 -0.594 1.00 0.37 C ATOM 1393 C THR A 98 -4.687 7.781 -1.676 1.00 0.36 C ATOM 1394 O THR A 98 -4.426 8.027 -2.852 1.00 0.39 O ATOM 1395 CB THR A 98 -3.475 9.373 -0.083 1.00 0.46 C ATOM 1396 OG1 THR A 98 -4.598 9.548 0.776 1.00 0.46 O ATOM 1397 CG2 THR A 98 -3.684 10.411 -1.187 1.00 0.54 C ATOM 0 H THR A 98 -1.737 8.261 -1.461 1.00 0.35 H new ATOM 0 HA THR A 98 -3.946 7.313 0.236 1.00 0.37 H new ATOM 0 HB THR A 98 -2.487 9.506 0.357 1.00 0.46 H new ATOM 0 HG1 THR A 98 -4.584 10.453 1.153 1.00 0.46 H new ATOM 0 HG21 THR A 98 -3.572 11.412 -0.771 1.00 0.54 H new ATOM 0 HG22 THR A 98 -2.944 10.260 -1.973 1.00 0.54 H new ATOM 0 HG23 THR A 98 -4.685 10.301 -1.605 1.00 0.54 H new ATOM 1405 N PHE A 99 -5.869 7.374 -1.239 1.00 0.35 N ATOM 1406 CA PHE A 99 -6.980 7.180 -2.156 1.00 0.36 C ATOM 1407 C PHE A 99 -8.319 7.383 -1.444 1.00 0.38 C ATOM 1408 O PHE A 99 -8.458 7.053 -0.268 1.00 0.43 O ATOM 1409 CB PHE A 99 -6.898 5.739 -2.662 1.00 0.34 C ATOM 1410 CG PHE A 99 -7.318 4.692 -1.628 1.00 0.32 C ATOM 1411 CD1 PHE A 99 -8.637 4.418 -1.434 1.00 1.71 C ATOM 1412 CD2 PHE A 99 -6.373 4.035 -0.903 1.00 1.68 C ATOM 1413 CE1 PHE A 99 -9.026 3.446 -0.475 1.00 1.72 C ATOM 1414 CE2 PHE A 99 -6.763 3.064 0.057 1.00 1.67 C ATOM 1415 CZ PHE A 99 -8.082 2.790 0.251 1.00 0.33 C ATOM 0 H PHE A 99 -6.082 7.173 -0.262 1.00 0.35 H new ATOM 0 HA PHE A 99 -6.919 7.900 -2.972 1.00 0.36 H new ATOM 0 HB2 PHE A 99 -7.530 5.638 -3.544 1.00 0.34 H new ATOM 0 HB3 PHE A 99 -5.875 5.533 -2.978 1.00 0.34 H new ATOM 0 HD1 PHE A 99 -9.387 4.940 -2.009 1.00 1.71 H new ATOM 0 HD2 PHE A 99 -5.326 4.252 -1.057 1.00 1.68 H new ATOM 0 HE1 PHE A 99 -10.073 3.228 -0.322 1.00 1.72 H new ATOM 0 HE2 PHE A 99 -6.013 2.543 0.633 1.00 1.67 H new ATOM 0 HZ PHE A 99 -8.379 2.052 0.981 1.00 0.33 H new ATOM 1425 N LYS A 100 -9.272 7.927 -2.188 1.00 0.38 N ATOM 1426 CA LYS A 100 -10.595 8.177 -1.643 1.00 0.40 C ATOM 1427 C LYS A 100 -11.559 7.098 -2.138 1.00 0.40 C ATOM 1428 O LYS A 100 -11.274 6.405 -3.114 1.00 0.42 O ATOM 1429 CB LYS A 100 -11.048 9.603 -1.970 1.00 0.45 C ATOM 1430 CG LYS A 100 -10.225 10.631 -1.191 1.00 0.48 C ATOM 1431 CD LYS A 100 -11.052 11.884 -0.895 1.00 1.23 C ATOM 1432 CE LYS A 100 -10.170 13.134 -0.888 1.00 1.64 C ATOM 1433 NZ LYS A 100 -10.245 13.814 0.423 1.00 2.46 N ATOM 0 H LYS A 100 -9.154 8.201 -3.163 1.00 0.38 H new ATOM 0 HA LYS A 100 -10.577 8.113 -0.555 1.00 0.40 H new ATOM 0 HB2 LYS A 100 -10.945 9.785 -3.040 1.00 0.45 H new ATOM 0 HB3 LYS A 100 -12.104 9.718 -1.727 1.00 0.45 H new ATOM 0 HG2 LYS A 100 -9.877 10.191 -0.256 1.00 0.48 H new ATOM 0 HG3 LYS A 100 -9.339 10.903 -1.764 1.00 0.48 H new ATOM 0 HD2 LYS A 100 -11.836 11.992 -1.644 1.00 1.23 H new ATOM 0 HD3 LYS A 100 -11.546 11.778 0.071 1.00 1.23 H new ATOM 0 HE2 LYS A 100 -9.137 12.859 -1.103 1.00 1.64 H new ATOM 0 HE3 LYS A 100 -10.489 13.816 -1.677 1.00 1.64 H new ATOM 0 HZ1 LYS A 100 -9.641 14.660 0.410 1.00 2.46 H new ATOM 0 HZ2 LYS A 100 -11.228 14.094 0.613 1.00 2.46 H new ATOM 0 HZ3 LYS A 100 -9.919 13.167 1.169 1.00 2.46 H new ATOM 1447 N VAL A 101 -12.681 6.987 -1.442 1.00 0.41 N ATOM 1448 CA VAL A 101 -13.690 6.004 -1.800 1.00 0.44 C ATOM 1449 C VAL A 101 -15.074 6.651 -1.732 1.00 0.52 C ATOM 1450 O VAL A 101 -15.471 7.169 -0.689 1.00 0.57 O ATOM 1451 CB VAL A 101 -13.560 4.772 -0.901 1.00 0.43 C ATOM 1452 CG1 VAL A 101 -14.657 3.752 -1.208 1.00 0.52 C ATOM 1453 CG2 VAL A 101 -12.172 4.142 -1.031 1.00 0.41 C ATOM 0 H VAL A 101 -12.914 7.561 -0.632 1.00 0.41 H new ATOM 0 HA VAL A 101 -13.543 5.661 -2.824 1.00 0.44 H new ATOM 0 HB VAL A 101 -13.684 5.096 0.132 1.00 0.43 H new ATOM 0 HG11 VAL A 101 -14.542 2.886 -0.556 1.00 0.52 H new ATOM 0 HG12 VAL A 101 -15.633 4.206 -1.040 1.00 0.52 H new ATOM 0 HG13 VAL A 101 -14.579 3.435 -2.248 1.00 0.52 H new ATOM 0 HG21 VAL A 101 -12.107 3.269 -0.382 1.00 0.41 H new ATOM 0 HG22 VAL A 101 -12.005 3.839 -2.065 1.00 0.41 H new ATOM 0 HG23 VAL A 101 -11.414 4.869 -0.739 1.00 0.41 H new ATOM 1463 N LYS A 102 -15.772 6.600 -2.857 1.00 0.59 N ATOM 1464 CA LYS A 102 -17.104 7.174 -2.938 1.00 0.68 C ATOM 1465 C LYS A 102 -18.112 6.069 -3.259 1.00 0.85 C ATOM 1466 O LYS A 102 -19.162 6.333 -3.844 1.00 1.82 O ATOM 1467 CB LYS A 102 -17.127 8.335 -3.934 1.00 0.70 C ATOM 1468 CG LYS A 102 -16.131 9.424 -3.530 1.00 0.61 C ATOM 1469 CD LYS A 102 -16.808 10.496 -2.673 1.00 0.92 C ATOM 1470 CE LYS A 102 -17.640 11.444 -3.537 1.00 2.17 C ATOM 1471 NZ LYS A 102 -19.082 11.277 -3.250 1.00 3.43 N ATOM 1472 OXT LYS A 102 -17.761 5.062 -3.870 1.00 1.71 O ATOM 0 H LYS A 102 -15.440 6.170 -3.720 1.00 0.59 H new ATOM 0 HA LYS A 102 -17.394 7.602 -1.978 1.00 0.68 H new ATOM 0 HB2 LYS A 102 -16.885 7.968 -4.931 1.00 0.70 H new ATOM 0 HB3 LYS A 102 -18.131 8.756 -3.984 1.00 0.70 H new ATOM 0 HG2 LYS A 102 -15.305 8.979 -2.976 1.00 0.61 H new ATOM 0 HG3 LYS A 102 -15.706 9.882 -4.423 1.00 0.61 H new ATOM 0 HD2 LYS A 102 -17.447 10.021 -1.929 1.00 0.92 H new ATOM 0 HD3 LYS A 102 -16.052 11.063 -2.129 1.00 0.92 H new ATOM 0 HE2 LYS A 102 -17.342 12.475 -3.346 1.00 2.17 H new ATOM 0 HE3 LYS A 102 -17.448 11.247 -4.592 1.00 2.17 H new ATOM 0 HZ1 LYS A 102 -19.628 11.409 -4.125 1.00 3.43 H new ATOM 0 HZ2 LYS A 102 -19.253 10.322 -2.876 1.00 3.43 H new ATOM 0 HZ3 LYS A 102 -19.380 11.982 -2.546 1.00 3.43 H new