USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 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 40 MET CE :methyl -124:sc= -0.114 (180deg=-0.184) USER MOD Set 1.2: A 75 THR OG1 : rot 23:sc= 0.654 USER MOD Set 1.3: A 79 TYR OH : rot 6:sc= 1.78 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -1.91! C(o=-0.89!,f=-7.1!) USER MOD Set 2.2: A 65 THR OG1 : rot -61:sc= 1.03 USER MOD Single : A 6 SER OG : rot 180:sc= -0.732 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0636 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 41 THR OG1 : rot 180:sc=-0.00391 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 171:sc= -0.568 (180deg=-0.74) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 149:sc= -0.882 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 -115:sc= 0.0417 USER MOD Single : A 98 THR OG1 : rot 17:sc= -0.591 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.151 3.135 -5.663 1.00 0.85 N ATOM 57 CA LEU A 4 9.351 1.893 -6.390 1.00 0.62 C ATOM 58 C LEU A 4 9.267 2.168 -7.894 1.00 0.57 C ATOM 59 O LEU A 4 8.959 3.285 -8.307 1.00 0.58 O ATOM 60 CB LEU A 4 8.370 0.824 -5.905 1.00 0.96 C ATOM 61 CG LEU A 4 6.906 1.031 -6.295 1.00 0.58 C ATOM 62 CD1 LEU A 4 6.553 2.519 -6.331 1.00 0.64 C ATOM 63 CD2 LEU A 4 6.586 0.334 -7.618 1.00 0.64 C ATOM 0 HA LEU A 4 10.346 1.493 -6.193 1.00 0.62 H new ATOM 0 HB2 LEU A 4 8.695 -0.142 -6.292 1.00 0.96 H new ATOM 0 HB3 LEU A 4 8.432 0.769 -4.818 1.00 0.96 H new ATOM 0 HG LEU A 4 6.281 0.570 -5.530 1.00 0.58 H new ATOM 0 HD11 LEU A 4 5.506 2.638 -6.611 1.00 0.64 H new ATOM 0 HD12 LEU A 4 6.717 2.956 -5.346 1.00 0.64 H new ATOM 0 HD13 LEU A 4 7.184 3.025 -7.062 1.00 0.64 H new ATOM 0 HD21 LEU A 4 5.539 0.497 -7.871 1.00 0.64 H new ATOM 0 HD22 LEU A 4 7.218 0.742 -8.407 1.00 0.64 H new ATOM 0 HD23 LEU A 4 6.773 -0.735 -7.520 1.00 0.64 H new ATOM 75 N VAL A 5 9.547 1.132 -8.669 1.00 0.56 N ATOM 76 CA VAL A 5 9.507 1.248 -10.117 1.00 0.55 C ATOM 77 C VAL A 5 8.113 1.706 -10.549 1.00 0.51 C ATOM 78 O VAL A 5 7.895 2.890 -10.802 1.00 0.52 O ATOM 79 CB VAL A 5 9.927 -0.077 -10.759 1.00 0.59 C ATOM 80 CG1 VAL A 5 9.888 0.019 -12.286 1.00 0.67 C ATOM 81 CG2 VAL A 5 11.311 -0.508 -10.272 1.00 0.67 C ATOM 0 H VAL A 5 9.803 0.208 -8.322 1.00 0.56 H new ATOM 0 HA VAL A 5 10.217 2.000 -10.460 1.00 0.55 H new ATOM 0 HB VAL A 5 9.212 -0.840 -10.452 1.00 0.59 H new ATOM 0 HG11 VAL A 5 10.191 -0.935 -12.718 1.00 0.67 H new ATOM 0 HG12 VAL A 5 8.875 0.259 -12.610 1.00 0.67 H new ATOM 0 HG13 VAL A 5 10.570 0.801 -12.619 1.00 0.67 H new ATOM 0 HG21 VAL A 5 11.585 -1.452 -10.743 1.00 0.67 H new ATOM 0 HG22 VAL A 5 12.043 0.255 -10.535 1.00 0.67 H new ATOM 0 HG23 VAL A 5 11.293 -0.635 -9.190 1.00 0.67 H new ATOM 91 N SER A 6 7.204 0.745 -10.621 1.00 0.52 N ATOM 92 CA SER A 6 5.837 1.035 -11.018 1.00 0.50 C ATOM 93 C SER A 6 4.861 0.219 -10.169 1.00 0.46 C ATOM 94 O SER A 6 5.165 -0.906 -9.775 1.00 0.50 O ATOM 95 CB SER A 6 5.621 0.741 -12.505 1.00 0.53 C ATOM 96 OG SER A 6 6.804 0.957 -13.268 1.00 0.63 O ATOM 0 H SER A 6 7.388 -0.236 -10.411 1.00 0.52 H new ATOM 0 HA SER A 6 5.651 2.097 -10.854 1.00 0.50 H new ATOM 0 HB2 SER A 6 5.294 -0.292 -12.627 1.00 0.53 H new ATOM 0 HB3 SER A 6 4.822 1.375 -12.888 1.00 0.53 H new ATOM 0 HG SER A 6 6.626 0.757 -14.211 1.00 0.63 H new ATOM 102 N SER A 7 3.707 0.819 -9.910 1.00 0.40 N ATOM 103 CA SER A 7 2.685 0.161 -9.115 1.00 0.37 C ATOM 104 C SER A 7 1.310 0.749 -9.442 1.00 0.34 C ATOM 105 O SER A 7 1.214 1.801 -10.071 1.00 0.34 O ATOM 106 CB SER A 7 2.978 0.298 -7.619 1.00 0.38 C ATOM 107 OG SER A 7 3.084 1.661 -7.219 1.00 0.39 O ATOM 0 H SER A 7 3.458 1.753 -10.237 1.00 0.40 H new ATOM 0 HA SER A 7 2.689 -0.900 -9.363 1.00 0.37 H new ATOM 0 HB2 SER A 7 2.186 -0.187 -7.048 1.00 0.38 H new ATOM 0 HB3 SER A 7 3.906 -0.223 -7.382 1.00 0.38 H new ATOM 0 HG SER A 7 3.270 1.706 -6.258 1.00 0.39 H new ATOM 113 N THR A 8 0.280 0.041 -9.000 1.00 0.33 N ATOM 114 CA THR A 8 -1.085 0.479 -9.238 1.00 0.33 C ATOM 115 C THR A 8 -1.930 0.300 -7.976 1.00 0.32 C ATOM 116 O THR A 8 -2.934 -0.411 -7.992 1.00 0.35 O ATOM 117 CB THR A 8 -1.625 -0.291 -10.445 1.00 0.37 C ATOM 118 OG1 THR A 8 -0.739 0.059 -11.504 1.00 0.53 O ATOM 119 CG2 THR A 8 -2.986 0.229 -10.910 1.00 0.55 C ATOM 0 H THR A 8 0.364 -0.832 -8.479 1.00 0.33 H new ATOM 0 HA THR A 8 -1.124 1.543 -9.469 1.00 0.33 H new ATOM 0 HB THR A 8 -1.708 -1.348 -10.194 1.00 0.37 H new ATOM 0 HG1 THR A 8 -1.015 -0.398 -12.326 1.00 0.53 H new ATOM 0 HG21 THR A 8 -3.323 -0.352 -11.769 1.00 0.55 H new ATOM 0 HG22 THR A 8 -3.709 0.132 -10.100 1.00 0.55 H new ATOM 0 HG23 THR A 8 -2.897 1.278 -11.194 1.00 0.55 H new ATOM 127 N PRO A 9 -1.481 0.974 -6.882 1.00 0.32 N ATOM 128 CA PRO A 9 -2.185 0.896 -5.614 1.00 0.34 C ATOM 129 C PRO A 9 -3.466 1.732 -5.646 1.00 0.38 C ATOM 130 O PRO A 9 -4.567 1.190 -5.559 1.00 0.44 O ATOM 131 CB PRO A 9 -1.184 1.382 -4.578 1.00 0.36 C ATOM 132 CG PRO A 9 -0.124 2.149 -5.351 1.00 0.36 C ATOM 133 CD PRO A 9 -0.296 1.824 -6.826 1.00 0.33 C ATOM 0 HA PRO A 9 -2.521 -0.114 -5.381 1.00 0.34 H new ATOM 0 HB2 PRO A 9 -1.667 2.021 -3.838 1.00 0.36 H new ATOM 0 HB3 PRO A 9 -0.744 0.544 -4.037 1.00 0.36 H new ATOM 0 HG2 PRO A 9 -0.229 3.221 -5.182 1.00 0.36 H new ATOM 0 HG3 PRO A 9 0.873 1.869 -5.012 1.00 0.36 H new ATOM 0 HD2 PRO A 9 -0.430 2.729 -7.418 1.00 0.33 H new ATOM 0 HD3 PRO A 9 0.579 1.310 -7.223 1.00 0.33 H new ATOM 141 N ALA A 10 -3.280 3.038 -5.770 1.00 0.42 N ATOM 142 CA ALA A 10 -4.408 3.954 -5.814 1.00 0.47 C ATOM 143 C ALA A 10 -3.914 5.376 -5.540 1.00 0.46 C ATOM 144 O ALA A 10 -4.524 6.109 -4.763 1.00 0.43 O ATOM 145 CB ALA A 10 -5.472 3.502 -4.811 1.00 0.47 C ATOM 0 H ALA A 10 -2.365 3.484 -5.841 1.00 0.42 H new ATOM 0 HA ALA A 10 -4.869 3.950 -6.802 1.00 0.47 H new ATOM 0 HB1 ALA A 10 -6.318 4.189 -4.844 1.00 0.47 H new ATOM 0 HB2 ALA A 10 -5.810 2.498 -5.067 1.00 0.47 H new ATOM 0 HB3 ALA A 10 -5.047 3.497 -3.807 1.00 0.47 H new ATOM 151 N GLU A 11 -2.815 5.723 -6.193 1.00 0.56 N ATOM 152 CA GLU A 11 -2.233 7.044 -6.030 1.00 0.69 C ATOM 153 C GLU A 11 -3.314 8.120 -6.157 1.00 0.70 C ATOM 154 O GLU A 11 -3.815 8.376 -7.250 1.00 0.83 O ATOM 155 CB GLU A 11 -1.108 7.277 -7.040 1.00 0.95 C ATOM 156 CG GLU A 11 0.262 7.157 -6.371 1.00 1.04 C ATOM 157 CD GLU A 11 1.229 6.353 -7.244 1.00 1.51 C ATOM 158 OE1 GLU A 11 0.789 5.582 -8.109 1.00 2.16 O ATOM 159 OE2 GLU A 11 2.480 6.552 -6.997 1.00 2.25 O ATOM 0 H GLU A 11 -2.312 5.112 -6.836 1.00 0.56 H new ATOM 0 HA GLU A 11 -1.800 7.107 -5.032 1.00 0.69 H new ATOM 0 HB2 GLU A 11 -1.186 6.552 -7.850 1.00 0.95 H new ATOM 0 HB3 GLU A 11 -1.214 8.266 -7.486 1.00 0.95 H new ATOM 0 HG2 GLU A 11 0.671 8.151 -6.190 1.00 1.04 H new ATOM 0 HG3 GLU A 11 0.156 6.674 -5.400 1.00 1.04 H new ATOM 166 N GLY A 12 -3.643 8.720 -5.022 1.00 0.61 N ATOM 167 CA GLY A 12 -4.655 9.762 -4.993 1.00 0.62 C ATOM 168 C GLY A 12 -5.805 9.436 -5.947 1.00 0.71 C ATOM 169 O GLY A 12 -6.184 10.265 -6.773 1.00 0.99 O ATOM 0 H GLY A 12 -3.227 8.504 -4.116 1.00 0.61 H new ATOM 0 HA2 GLY A 12 -5.039 9.873 -3.979 1.00 0.62 H new ATOM 0 HA3 GLY A 12 -4.207 10.716 -5.270 1.00 0.62 H new ATOM 173 N SER A 13 -6.327 8.227 -5.802 1.00 0.64 N ATOM 174 CA SER A 13 -7.427 7.781 -6.642 1.00 0.80 C ATOM 175 C SER A 13 -8.748 7.902 -5.881 1.00 0.56 C ATOM 176 O SER A 13 -8.948 7.235 -4.866 1.00 0.58 O ATOM 177 CB SER A 13 -7.213 6.341 -7.110 1.00 1.09 C ATOM 178 OG SER A 13 -6.591 6.283 -8.390 1.00 1.78 O ATOM 0 H SER A 13 -6.009 7.542 -5.116 1.00 0.64 H new ATOM 0 HA SER A 13 -7.464 8.419 -7.525 1.00 0.80 H new ATOM 0 HB2 SER A 13 -6.597 5.811 -6.383 1.00 1.09 H new ATOM 0 HB3 SER A 13 -8.173 5.826 -7.150 1.00 1.09 H new ATOM 0 HG SER A 13 -6.470 5.347 -8.653 1.00 1.78 H new ATOM 184 N GLU A 14 -9.618 8.757 -6.399 1.00 0.50 N ATOM 185 CA GLU A 14 -10.915 8.973 -5.782 1.00 0.55 C ATOM 186 C GLU A 14 -12.012 8.288 -6.597 1.00 0.71 C ATOM 187 O GLU A 14 -12.154 8.544 -7.792 1.00 0.80 O ATOM 188 CB GLU A 14 -11.203 10.467 -5.620 1.00 0.79 C ATOM 189 CG GLU A 14 -9.997 11.198 -5.026 1.00 0.88 C ATOM 190 CD GLU A 14 -10.023 12.684 -5.389 1.00 1.23 C ATOM 191 OE1 GLU A 14 -11.082 13.324 -5.304 1.00 1.68 O ATOM 192 OE2 GLU A 14 -8.892 13.173 -5.769 1.00 1.78 O ATOM 0 H GLU A 14 -9.449 9.309 -7.240 1.00 0.50 H new ATOM 0 HA GLU A 14 -10.900 8.529 -4.786 1.00 0.55 H new ATOM 0 HB2 GLU A 14 -11.454 10.900 -6.589 1.00 0.79 H new ATOM 0 HB3 GLU A 14 -12.071 10.606 -4.975 1.00 0.79 H new ATOM 0 HG2 GLU A 14 -9.996 11.085 -3.942 1.00 0.88 H new ATOM 0 HG3 GLU A 14 -9.076 10.746 -5.394 1.00 0.88 H new ATOM 199 N GLY A 15 -12.760 7.429 -5.919 1.00 0.85 N ATOM 200 CA GLY A 15 -13.841 6.705 -6.566 1.00 1.13 C ATOM 201 C GLY A 15 -14.716 5.988 -5.535 1.00 0.64 C ATOM 202 O GLY A 15 -15.736 6.521 -5.104 1.00 0.62 O ATOM 0 H GLY A 15 -12.639 7.218 -4.928 1.00 0.85 H new ATOM 0 HA2 GLY A 15 -14.451 7.397 -7.147 1.00 1.13 H new ATOM 0 HA3 GLY A 15 -13.429 5.979 -7.266 1.00 1.13 H new ATOM 206 N ALA A 16 -14.282 4.790 -5.169 1.00 0.93 N ATOM 207 CA ALA A 16 -15.013 3.995 -4.197 1.00 1.09 C ATOM 208 C ALA A 16 -14.198 2.748 -3.851 1.00 1.56 C ATOM 209 O ALA A 16 -13.008 2.675 -4.152 1.00 2.04 O ATOM 210 CB ALA A 16 -16.396 3.654 -4.753 1.00 1.59 C ATOM 0 H ALA A 16 -13.434 4.351 -5.528 1.00 0.93 H new ATOM 0 HA ALA A 16 -15.163 4.557 -3.275 1.00 1.09 H new ATOM 0 HB1 ALA A 16 -16.944 3.058 -4.024 1.00 1.59 H new ATOM 0 HB2 ALA A 16 -16.944 4.574 -4.955 1.00 1.59 H new ATOM 0 HB3 ALA A 16 -16.287 3.087 -5.677 1.00 1.59 H new ATOM 216 N ALA A 17 -14.873 1.795 -3.222 1.00 1.80 N ATOM 217 CA ALA A 17 -14.227 0.554 -2.832 1.00 2.30 C ATOM 218 C ALA A 17 -13.535 -0.061 -4.050 1.00 1.85 C ATOM 219 O ALA A 17 -14.196 -0.570 -4.954 1.00 1.61 O ATOM 220 CB ALA A 17 -15.263 -0.388 -2.214 1.00 2.96 C ATOM 0 H ALA A 17 -15.860 1.858 -2.973 1.00 1.80 H new ATOM 0 HA ALA A 17 -13.463 0.740 -2.077 1.00 2.30 H new ATOM 0 HB1 ALA A 17 -14.779 -1.320 -1.921 1.00 2.96 H new ATOM 0 HB2 ALA A 17 -15.705 0.083 -1.336 1.00 2.96 H new ATOM 0 HB3 ALA A 17 -16.044 -0.599 -2.944 1.00 2.96 H new ATOM 226 N PRO A 18 -12.177 0.009 -4.035 1.00 1.83 N ATOM 227 CA PRO A 18 -11.388 -0.535 -5.127 1.00 1.51 C ATOM 228 C PRO A 18 -11.344 -2.063 -5.065 1.00 1.28 C ATOM 229 O PRO A 18 -12.044 -2.675 -4.259 1.00 2.00 O ATOM 230 CB PRO A 18 -10.017 0.105 -4.978 1.00 1.76 C ATOM 231 CG PRO A 18 -9.950 0.618 -3.549 1.00 2.14 C ATOM 232 CD PRO A 18 -11.360 0.605 -2.981 1.00 2.20 C ATOM 0 HA PRO A 18 -11.814 -0.311 -6.105 1.00 1.51 H new ATOM 0 HB2 PRO A 18 -9.225 -0.619 -5.171 1.00 1.76 H new ATOM 0 HB3 PRO A 18 -9.886 0.918 -5.692 1.00 1.76 H new ATOM 0 HG2 PRO A 18 -9.291 -0.010 -2.949 1.00 2.14 H new ATOM 0 HG3 PRO A 18 -9.538 1.627 -3.525 1.00 2.14 H new ATOM 0 HD2 PRO A 18 -11.412 0.021 -2.062 1.00 2.20 H new ATOM 0 HD3 PRO A 18 -11.699 1.612 -2.739 1.00 2.20 H new ATOM 240 N ALA A 19 -10.516 -2.636 -5.927 1.00 0.65 N ATOM 241 CA ALA A 19 -10.373 -4.081 -5.980 1.00 0.60 C ATOM 242 C ALA A 19 -9.164 -4.500 -5.142 1.00 0.53 C ATOM 243 O ALA A 19 -9.320 -5.058 -4.057 1.00 0.54 O ATOM 244 CB ALA A 19 -10.256 -4.528 -7.438 1.00 0.89 C ATOM 0 H ALA A 19 -9.938 -2.125 -6.594 1.00 0.65 H new ATOM 0 HA ALA A 19 -11.251 -4.570 -5.558 1.00 0.60 H new ATOM 0 HB1 ALA A 19 -10.149 -5.612 -7.479 1.00 0.89 H new ATOM 0 HB2 ALA A 19 -11.152 -4.231 -7.983 1.00 0.89 H new ATOM 0 HB3 ALA A 19 -9.383 -4.060 -7.893 1.00 0.89 H new ATOM 250 N LYS A 20 -7.986 -4.215 -5.675 1.00 0.49 N ATOM 251 CA LYS A 20 -6.752 -4.556 -4.990 1.00 0.46 C ATOM 252 C LYS A 20 -5.632 -3.632 -5.475 1.00 0.44 C ATOM 253 O LYS A 20 -5.732 -3.041 -6.549 1.00 0.51 O ATOM 254 CB LYS A 20 -6.437 -6.043 -5.160 1.00 0.49 C ATOM 255 CG LYS A 20 -6.257 -6.401 -6.637 1.00 0.54 C ATOM 256 CD LYS A 20 -7.314 -7.409 -7.090 1.00 1.51 C ATOM 257 CE LYS A 20 -7.575 -7.292 -8.593 1.00 1.94 C ATOM 258 NZ LYS A 20 -7.424 -8.610 -9.250 1.00 2.35 N ATOM 0 H LYS A 20 -7.860 -3.751 -6.575 1.00 0.49 H new ATOM 0 HA LYS A 20 -6.857 -4.396 -3.917 1.00 0.46 H new ATOM 0 HB2 LYS A 20 -5.530 -6.291 -4.609 1.00 0.49 H new ATOM 0 HB3 LYS A 20 -7.243 -6.640 -4.733 1.00 0.49 H new ATOM 0 HG2 LYS A 20 -6.326 -5.499 -7.244 1.00 0.54 H new ATOM 0 HG3 LYS A 20 -5.262 -6.816 -6.795 1.00 0.54 H new ATOM 0 HD2 LYS A 20 -6.983 -8.420 -6.852 1.00 1.51 H new ATOM 0 HD3 LYS A 20 -8.241 -7.240 -6.542 1.00 1.51 H new ATOM 0 HE2 LYS A 20 -8.580 -6.907 -8.765 1.00 1.94 H new ATOM 0 HE3 LYS A 20 -6.880 -6.577 -9.034 1.00 1.94 H new ATOM 0 HZ1 LYS A 20 -7.605 -8.512 -10.270 1.00 2.35 H new ATOM 0 HZ2 LYS A 20 -6.457 -8.963 -9.102 1.00 2.35 H new ATOM 0 HZ3 LYS A 20 -8.104 -9.282 -8.841 1.00 2.35 H new ATOM 272 N ILE A 21 -4.592 -3.535 -4.659 1.00 0.39 N ATOM 273 CA ILE A 21 -3.456 -2.693 -4.991 1.00 0.39 C ATOM 274 C ILE A 21 -2.424 -3.519 -5.762 1.00 0.38 C ATOM 275 O ILE A 21 -2.204 -4.689 -5.454 1.00 0.37 O ATOM 276 CB ILE A 21 -2.895 -2.029 -3.732 1.00 0.40 C ATOM 277 CG1 ILE A 21 -3.621 -0.715 -3.436 1.00 0.42 C ATOM 278 CG2 ILE A 21 -1.382 -1.836 -3.841 1.00 0.42 C ATOM 279 CD1 ILE A 21 -4.306 -0.761 -2.070 1.00 0.48 C ATOM 0 H ILE A 21 -4.513 -4.026 -3.768 1.00 0.39 H new ATOM 0 HA ILE A 21 -3.765 -1.876 -5.644 1.00 0.39 H new ATOM 0 HB ILE A 21 -3.074 -2.694 -2.887 1.00 0.40 H new ATOM 0 HG12 ILE A 21 -2.910 0.111 -3.462 1.00 0.42 H new ATOM 0 HG13 ILE A 21 -4.362 -0.522 -4.212 1.00 0.42 H new ATOM 0 HG21 ILE A 21 -1.009 -1.362 -2.933 1.00 0.42 H new ATOM 0 HG22 ILE A 21 -0.900 -2.805 -3.969 1.00 0.42 H new ATOM 0 HG23 ILE A 21 -1.157 -1.203 -4.699 1.00 0.42 H new ATOM 0 HD11 ILE A 21 -4.814 0.186 -1.886 1.00 0.48 H new ATOM 0 HD12 ILE A 21 -5.034 -1.572 -2.055 1.00 0.48 H new ATOM 0 HD13 ILE A 21 -3.559 -0.929 -1.294 1.00 0.48 H new ATOM 291 N GLU A 22 -1.818 -2.876 -6.750 1.00 0.40 N ATOM 292 CA GLU A 22 -0.814 -3.536 -7.567 1.00 0.41 C ATOM 293 C GLU A 22 0.562 -2.914 -7.323 1.00 0.39 C ATOM 294 O GLU A 22 0.665 -1.729 -7.009 1.00 0.37 O ATOM 295 CB GLU A 22 -1.189 -3.474 -9.050 1.00 0.43 C ATOM 296 CG GLU A 22 -1.207 -4.874 -9.669 1.00 0.49 C ATOM 297 CD GLU A 22 0.194 -5.293 -10.119 1.00 1.51 C ATOM 298 OE1 GLU A 22 1.078 -4.436 -10.272 1.00 2.44 O ATOM 299 OE2 GLU A 22 0.350 -6.558 -10.310 1.00 2.34 O ATOM 0 H GLU A 22 -2.003 -1.905 -7.003 1.00 0.40 H new ATOM 0 HA GLU A 22 -0.772 -4.586 -7.279 1.00 0.41 H new ATOM 0 HB2 GLU A 22 -2.169 -3.010 -9.162 1.00 0.43 H new ATOM 0 HB3 GLU A 22 -0.476 -2.846 -9.583 1.00 0.43 H new ATOM 0 HG2 GLU A 22 -1.589 -5.592 -8.943 1.00 0.49 H new ATOM 0 HG3 GLU A 22 -1.886 -4.890 -10.521 1.00 0.49 H new ATOM 306 N LEU A 23 1.585 -3.742 -7.475 1.00 0.43 N ATOM 307 CA LEU A 23 2.951 -3.288 -7.275 1.00 0.44 C ATOM 308 C LEU A 23 3.881 -4.047 -8.223 1.00 0.48 C ATOM 309 O LEU A 23 3.685 -5.237 -8.470 1.00 0.51 O ATOM 310 CB LEU A 23 3.344 -3.408 -5.801 1.00 0.47 C ATOM 311 CG LEU A 23 2.442 -2.678 -4.804 1.00 0.45 C ATOM 312 CD1 LEU A 23 2.603 -3.253 -3.396 1.00 0.49 C ATOM 313 CD2 LEU A 23 2.694 -1.170 -4.839 1.00 0.46 C ATOM 0 H LEU A 23 1.496 -4.724 -7.734 1.00 0.43 H new ATOM 0 HA LEU A 23 3.041 -2.230 -7.521 1.00 0.44 H new ATOM 0 HB2 LEU A 23 3.364 -4.465 -5.536 1.00 0.47 H new ATOM 0 HB3 LEU A 23 4.360 -3.031 -5.685 1.00 0.47 H new ATOM 0 HG LEU A 23 1.405 -2.838 -5.101 1.00 0.45 H new ATOM 0 HD11 LEU A 23 1.951 -2.716 -2.707 1.00 0.49 H new ATOM 0 HD12 LEU A 23 2.334 -4.309 -3.401 1.00 0.49 H new ATOM 0 HD13 LEU A 23 3.639 -3.144 -3.075 1.00 0.49 H new ATOM 0 HD21 LEU A 23 2.040 -0.675 -4.121 1.00 0.46 H new ATOM 0 HD22 LEU A 23 3.734 -0.969 -4.581 1.00 0.46 H new ATOM 0 HD23 LEU A 23 2.488 -0.790 -5.840 1.00 0.46 H new ATOM 325 N HIS A 24 4.872 -3.329 -8.730 1.00 0.51 N ATOM 326 CA HIS A 24 5.833 -3.921 -9.646 1.00 0.56 C ATOM 327 C HIS A 24 7.242 -3.445 -9.288 1.00 0.60 C ATOM 328 O HIS A 24 7.407 -2.426 -8.620 1.00 0.55 O ATOM 329 CB HIS A 24 5.455 -3.619 -11.097 1.00 0.57 C ATOM 330 CG HIS A 24 4.379 -4.522 -11.653 1.00 0.58 C ATOM 331 ND1 HIS A 24 4.598 -5.855 -11.949 1.00 0.62 N ATOM 332 CD2 HIS A 24 3.074 -4.267 -11.960 1.00 0.71 C ATOM 333 CE1 HIS A 24 3.470 -6.371 -12.415 1.00 0.63 C ATOM 334 NE2 HIS A 24 2.527 -5.385 -12.422 1.00 0.67 N ATOM 0 H HIS A 24 5.031 -2.343 -8.524 1.00 0.51 H new ATOM 0 HA HIS A 24 5.818 -5.006 -9.546 1.00 0.56 H new ATOM 0 HB2 HIS A 24 5.118 -2.585 -11.166 1.00 0.57 H new ATOM 0 HB3 HIS A 24 6.346 -3.706 -11.719 1.00 0.57 H new ATOM 0 HD2 HIS A 24 2.572 -3.318 -11.846 1.00 0.71 H new ATOM 0 HE1 HIS A 24 3.323 -7.392 -12.733 1.00 0.63 H new ATOM 0 HE2 HIS A 24 1.561 -5.490 -12.731 1.00 0.67 H new ATOM 342 N PHE A 25 8.223 -4.207 -9.749 1.00 0.73 N ATOM 343 CA PHE A 25 9.614 -3.877 -9.487 1.00 0.79 C ATOM 344 C PHE A 25 10.532 -4.489 -10.547 1.00 0.90 C ATOM 345 O PHE A 25 10.314 -5.616 -10.987 1.00 1.42 O ATOM 346 CB PHE A 25 9.964 -4.470 -8.121 1.00 0.86 C ATOM 347 CG PHE A 25 9.457 -3.647 -6.936 1.00 0.83 C ATOM 348 CD1 PHE A 25 8.200 -3.845 -6.459 1.00 1.92 C ATOM 349 CD2 PHE A 25 10.265 -2.716 -6.360 1.00 1.86 C ATOM 350 CE1 PHE A 25 7.729 -3.080 -5.358 1.00 2.00 C ATOM 351 CE2 PHE A 25 9.794 -1.952 -5.259 1.00 1.93 C ATOM 352 CZ PHE A 25 8.536 -2.149 -4.782 1.00 1.13 C ATOM 0 H PHE A 25 8.082 -5.052 -10.302 1.00 0.73 H new ATOM 0 HA PHE A 25 9.751 -2.796 -9.508 1.00 0.79 H new ATOM 0 HB2 PHE A 25 9.548 -5.476 -8.056 1.00 0.86 H new ATOM 0 HB3 PHE A 25 11.047 -4.567 -8.046 1.00 0.86 H new ATOM 0 HD1 PHE A 25 7.559 -4.584 -6.917 1.00 1.92 H new ATOM 0 HD2 PHE A 25 11.264 -2.558 -6.740 1.00 1.86 H new ATOM 0 HE1 PHE A 25 6.730 -3.238 -4.979 1.00 2.00 H new ATOM 0 HE2 PHE A 25 10.436 -1.214 -4.800 1.00 1.93 H new ATOM 0 HZ PHE A 25 8.178 -1.566 -3.946 1.00 1.13 H new ATOM 362 N SER A 26 11.540 -3.718 -10.926 1.00 0.68 N ATOM 363 CA SER A 26 12.492 -4.169 -11.926 1.00 0.77 C ATOM 364 C SER A 26 13.556 -5.055 -11.274 1.00 0.92 C ATOM 365 O SER A 26 14.132 -5.923 -11.927 1.00 1.18 O ATOM 366 CB SER A 26 13.152 -2.983 -12.635 1.00 1.01 C ATOM 367 OG SER A 26 12.437 -2.597 -13.806 1.00 1.57 O ATOM 0 H SER A 26 11.718 -2.783 -10.558 1.00 0.68 H new ATOM 0 HA SER A 26 11.952 -4.750 -12.674 1.00 0.77 H new ATOM 0 HB2 SER A 26 13.210 -2.137 -11.950 1.00 1.01 H new ATOM 0 HB3 SER A 26 14.175 -3.245 -12.905 1.00 1.01 H new ATOM 0 HG SER A 26 12.888 -1.837 -14.229 1.00 1.57 H new ATOM 499 N GLY A 35 7.311 -4.830 2.617 1.00 0.63 N ATOM 500 CA GLY A 35 5.920 -4.989 3.006 1.00 0.66 C ATOM 501 C GLY A 35 5.179 -3.652 2.946 1.00 0.61 C ATOM 502 O GLY A 35 5.756 -2.634 2.569 1.00 0.80 O ATOM 0 HA2 GLY A 35 5.434 -5.708 2.347 1.00 0.66 H new ATOM 0 HA3 GLY A 35 5.865 -5.395 4.016 1.00 0.66 H new ATOM 506 N ALA A 36 3.909 -3.700 3.325 1.00 0.52 N ATOM 507 CA ALA A 36 3.082 -2.505 3.318 1.00 0.58 C ATOM 508 C ALA A 36 1.993 -2.638 4.385 1.00 0.55 C ATOM 509 O ALA A 36 1.791 -3.717 4.939 1.00 0.60 O ATOM 510 CB ALA A 36 2.504 -2.290 1.917 1.00 0.77 C ATOM 0 H ALA A 36 3.434 -4.546 3.638 1.00 0.52 H new ATOM 0 HA ALA A 36 3.677 -1.625 3.562 1.00 0.58 H new ATOM 0 HB1 ALA A 36 1.884 -1.394 1.913 1.00 0.77 H new ATOM 0 HB2 ALA A 36 3.318 -2.171 1.202 1.00 0.77 H new ATOM 0 HB3 ALA A 36 1.898 -3.152 1.637 1.00 0.77 H new ATOM 516 N LYS A 37 1.319 -1.526 4.639 1.00 0.52 N ATOM 517 CA LYS A 37 0.255 -1.506 5.629 1.00 0.53 C ATOM 518 C LYS A 37 -0.721 -0.374 5.299 1.00 0.52 C ATOM 519 O LYS A 37 -0.310 0.772 5.120 1.00 0.51 O ATOM 520 CB LYS A 37 0.839 -1.422 7.041 1.00 0.58 C ATOM 521 CG LYS A 37 1.124 -2.818 7.599 1.00 0.78 C ATOM 522 CD LYS A 37 0.544 -2.976 9.006 1.00 1.25 C ATOM 523 CE LYS A 37 0.969 -4.307 9.629 1.00 1.79 C ATOM 524 NZ LYS A 37 1.083 -4.178 11.099 1.00 2.36 N ATOM 0 H LYS A 37 1.489 -0.633 4.177 1.00 0.52 H new ATOM 0 HA LYS A 37 -0.312 -2.436 5.598 1.00 0.53 H new ATOM 0 HB2 LYS A 37 1.759 -0.838 7.024 1.00 0.58 H new ATOM 0 HB3 LYS A 37 0.142 -0.899 7.696 1.00 0.58 H new ATOM 0 HG2 LYS A 37 0.695 -3.572 6.939 1.00 0.78 H new ATOM 0 HG3 LYS A 37 2.200 -2.991 7.624 1.00 0.78 H new ATOM 0 HD2 LYS A 37 0.880 -2.152 9.636 1.00 1.25 H new ATOM 0 HD3 LYS A 37 -0.544 -2.922 8.963 1.00 1.25 H new ATOM 0 HE2 LYS A 37 0.242 -5.080 9.381 1.00 1.79 H new ATOM 0 HE3 LYS A 37 1.925 -4.623 9.210 1.00 1.79 H new ATOM 0 HZ1 LYS A 37 1.372 -5.090 11.506 1.00 2.36 H new ATOM 0 HZ2 LYS A 37 1.794 -3.455 11.330 1.00 2.36 H new ATOM 0 HZ3 LYS A 37 0.163 -3.898 11.495 1.00 2.36 H new ATOM 538 N LEU A 38 -1.993 -0.735 5.229 1.00 0.53 N ATOM 539 CA LEU A 38 -3.031 0.236 4.924 1.00 0.53 C ATOM 540 C LEU A 38 -3.652 0.739 6.229 1.00 0.52 C ATOM 541 O LEU A 38 -3.826 -0.029 7.174 1.00 0.60 O ATOM 542 CB LEU A 38 -4.047 -0.356 3.947 1.00 0.57 C ATOM 543 CG LEU A 38 -5.390 0.371 3.852 1.00 0.56 C ATOM 544 CD1 LEU A 38 -5.186 1.876 3.663 1.00 0.69 C ATOM 545 CD2 LEU A 38 -6.266 -0.232 2.752 1.00 0.69 C ATOM 0 H LEU A 38 -2.329 -1.686 5.378 1.00 0.53 H new ATOM 0 HA LEU A 38 -2.606 1.103 4.419 1.00 0.53 H new ATOM 0 HB2 LEU A 38 -3.597 -0.377 2.954 1.00 0.57 H new ATOM 0 HB3 LEU A 38 -4.236 -1.391 4.233 1.00 0.57 H new ATOM 0 HG LEU A 38 -5.920 0.233 4.795 1.00 0.56 H new ATOM 0 HD11 LEU A 38 -6.156 2.369 3.598 1.00 0.69 H new ATOM 0 HD12 LEU A 38 -4.631 2.277 4.511 1.00 0.69 H new ATOM 0 HD13 LEU A 38 -4.626 2.055 2.745 1.00 0.69 H new ATOM 0 HD21 LEU A 38 -7.214 0.304 2.707 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -5.755 -0.147 1.793 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -6.454 -1.283 2.971 1.00 0.69 H new ATOM 557 N VAL A 39 -3.971 2.025 6.238 1.00 0.47 N ATOM 558 CA VAL A 39 -4.570 2.639 7.411 1.00 0.49 C ATOM 559 C VAL A 39 -5.676 3.598 6.970 1.00 0.48 C ATOM 560 O VAL A 39 -5.479 4.403 6.062 1.00 0.54 O ATOM 561 CB VAL A 39 -3.489 3.319 8.255 1.00 0.58 C ATOM 562 CG1 VAL A 39 -2.277 2.403 8.436 1.00 0.57 C ATOM 563 CG2 VAL A 39 -3.077 4.658 7.641 1.00 0.70 C ATOM 0 H VAL A 39 -3.826 2.659 5.452 1.00 0.47 H new ATOM 0 HA VAL A 39 -5.031 1.882 8.046 1.00 0.49 H new ATOM 0 HB VAL A 39 -3.909 3.517 9.241 1.00 0.58 H new ATOM 0 HG11 VAL A 39 -1.524 2.911 9.039 1.00 0.57 H new ATOM 0 HG12 VAL A 39 -2.586 1.486 8.937 1.00 0.57 H new ATOM 0 HG13 VAL A 39 -1.856 2.159 7.460 1.00 0.57 H new ATOM 0 HG21 VAL A 39 -2.308 5.121 8.260 1.00 0.70 H new ATOM 0 HG22 VAL A 39 -2.685 4.493 6.638 1.00 0.70 H new ATOM 0 HG23 VAL A 39 -3.944 5.316 7.588 1.00 0.70 H new ATOM 573 N MET A 40 -6.816 3.481 7.635 1.00 0.46 N ATOM 574 CA MET A 40 -7.955 4.329 7.324 1.00 0.45 C ATOM 575 C MET A 40 -7.876 5.655 8.082 1.00 0.51 C ATOM 576 O MET A 40 -8.260 5.730 9.248 1.00 0.55 O ATOM 577 CB MET A 40 -9.249 3.602 7.697 1.00 0.47 C ATOM 578 CG MET A 40 -10.465 4.507 7.484 1.00 0.50 C ATOM 579 SD MET A 40 -11.854 3.892 8.422 1.00 1.24 S ATOM 580 CE MET A 40 -13.198 4.463 7.396 1.00 2.19 C ATOM 0 H MET A 40 -6.976 2.812 8.388 1.00 0.46 H new ATOM 0 HA MET A 40 -7.943 4.544 6.255 1.00 0.45 H new ATOM 0 HB2 MET A 40 -9.351 2.700 7.093 1.00 0.47 H new ATOM 0 HB3 MET A 40 -9.205 3.284 8.739 1.00 0.47 H new ATOM 0 HG2 MET A 40 -10.229 5.526 7.793 1.00 0.50 H new ATOM 0 HG3 MET A 40 -10.719 4.546 6.425 1.00 0.50 H new ATOM 0 HE1 MET A 40 -13.875 5.075 7.991 1.00 2.19 H new ATOM 0 HE2 MET A 40 -12.801 5.057 6.573 1.00 2.19 H new ATOM 0 HE3 MET A 40 -13.740 3.606 6.996 1.00 2.19 H new ATOM 590 N THR A 41 -7.374 6.666 7.390 1.00 0.52 N ATOM 591 CA THR A 41 -7.240 7.986 7.984 1.00 0.59 C ATOM 592 C THR A 41 -8.259 8.951 7.376 1.00 0.64 C ATOM 593 O THR A 41 -7.886 9.969 6.794 1.00 0.74 O ATOM 594 CB THR A 41 -5.790 8.441 7.803 1.00 0.66 C ATOM 595 OG1 THR A 41 -5.719 9.670 8.520 1.00 0.79 O ATOM 596 CG2 THR A 41 -5.475 8.833 6.358 1.00 0.80 C ATOM 0 H THR A 41 -7.055 6.599 6.424 1.00 0.52 H new ATOM 0 HA THR A 41 -7.458 7.963 9.052 1.00 0.59 H new ATOM 0 HB THR A 41 -5.118 7.642 8.117 1.00 0.66 H new ATOM 0 HG1 THR A 41 -4.811 10.034 8.456 1.00 0.79 H new ATOM 0 HG21 THR A 41 -4.434 9.148 6.285 1.00 0.80 H new ATOM 0 HG22 THR A 41 -5.642 7.977 5.704 1.00 0.80 H new ATOM 0 HG23 THR A 41 -6.124 9.654 6.054 1.00 0.80 H new ATOM 604 N ALA A 42 -9.527 8.598 7.531 1.00 0.63 N ATOM 605 CA ALA A 42 -10.603 9.420 7.004 1.00 0.73 C ATOM 606 C ALA A 42 -10.939 10.520 8.013 1.00 1.31 C ATOM 607 O ALA A 42 -11.093 10.249 9.204 1.00 3.07 O ATOM 608 CB ALA A 42 -11.810 8.536 6.681 1.00 0.91 C ATOM 0 H ALA A 42 -9.833 7.754 8.014 1.00 0.63 H new ATOM 0 HA ALA A 42 -10.297 9.905 6.077 1.00 0.73 H new ATOM 0 HB1 ALA A 42 -12.617 9.153 6.286 1.00 0.91 H new ATOM 0 HB2 ALA A 42 -11.526 7.790 5.939 1.00 0.91 H new ATOM 0 HB3 ALA A 42 -12.147 8.035 7.588 1.00 0.91 H new ATOM 726 N MET A 51 -6.089 4.436 11.258 1.00 0.78 N ATOM 727 CA MET A 51 -6.482 3.151 11.812 1.00 0.77 C ATOM 728 C MET A 51 -6.113 2.009 10.864 1.00 0.76 C ATOM 729 O MET A 51 -6.715 1.860 9.802 1.00 0.98 O ATOM 730 CB MET A 51 -7.991 3.143 12.059 1.00 0.80 C ATOM 731 CG MET A 51 -8.365 4.084 13.206 1.00 1.09 C ATOM 732 SD MET A 51 -10.034 3.754 13.747 1.00 1.92 S ATOM 733 CE MET A 51 -10.905 5.043 12.871 1.00 3.64 C ATOM 0 HA MET A 51 -5.950 3.003 12.752 1.00 0.77 H new ATOM 0 HB2 MET A 51 -8.513 3.445 11.151 1.00 0.80 H new ATOM 0 HB3 MET A 51 -8.319 2.130 12.293 1.00 0.80 H new ATOM 0 HG2 MET A 51 -7.672 3.952 14.037 1.00 1.09 H new ATOM 0 HG3 MET A 51 -8.278 5.120 12.880 1.00 1.09 H new ATOM 0 HE1 MET A 51 -11.969 4.982 13.098 1.00 3.64 H new ATOM 0 HE2 MET A 51 -10.523 6.016 13.181 1.00 3.64 H new ATOM 0 HE3 MET A 51 -10.755 4.920 11.798 1.00 3.64 H new ATOM 743 N ALA A 52 -5.125 1.232 11.282 1.00 0.68 N ATOM 744 CA ALA A 52 -4.667 0.107 10.483 1.00 0.66 C ATOM 745 C ALA A 52 -5.871 -0.744 10.073 1.00 0.62 C ATOM 746 O ALA A 52 -6.693 -1.108 10.913 1.00 0.72 O ATOM 747 CB ALA A 52 -3.630 -0.693 11.273 1.00 0.75 C ATOM 0 H ALA A 52 -4.628 1.359 12.164 1.00 0.68 H new ATOM 0 HA ALA A 52 -4.183 0.456 9.571 1.00 0.66 H new ATOM 0 HB1 ALA A 52 -3.287 -1.536 10.673 1.00 0.75 H new ATOM 0 HB2 ALA A 52 -2.783 -0.051 11.515 1.00 0.75 H new ATOM 0 HB3 ALA A 52 -4.080 -1.062 12.194 1.00 0.75 H new ATOM 753 N VAL A 53 -5.936 -1.037 8.783 1.00 0.60 N ATOM 754 CA VAL A 53 -7.026 -1.839 8.252 1.00 0.65 C ATOM 755 C VAL A 53 -6.576 -3.298 8.149 1.00 0.67 C ATOM 756 O VAL A 53 -5.382 -3.579 8.079 1.00 0.78 O ATOM 757 CB VAL A 53 -7.496 -1.263 6.915 1.00 0.67 C ATOM 758 CG1 VAL A 53 -6.684 -1.841 5.754 1.00 0.61 C ATOM 759 CG2 VAL A 53 -8.993 -1.503 6.710 1.00 0.85 C ATOM 0 H VAL A 53 -5.252 -0.734 8.090 1.00 0.60 H new ATOM 0 HA VAL A 53 -7.884 -1.810 8.923 1.00 0.65 H new ATOM 0 HB VAL A 53 -7.330 -0.186 6.937 1.00 0.67 H new ATOM 0 HG11 VAL A 53 -7.038 -1.415 4.815 1.00 0.61 H new ATOM 0 HG12 VAL A 53 -5.631 -1.596 5.889 1.00 0.61 H new ATOM 0 HG13 VAL A 53 -6.804 -2.924 5.730 1.00 0.61 H new ATOM 0 HG21 VAL A 53 -9.301 -1.084 5.752 1.00 0.85 H new ATOM 0 HG22 VAL A 53 -9.194 -2.574 6.719 1.00 0.85 H new ATOM 0 HG23 VAL A 53 -9.552 -1.022 7.513 1.00 0.85 H new ATOM 769 N LYS A 54 -7.559 -4.188 8.144 1.00 0.73 N ATOM 770 CA LYS A 54 -7.279 -5.610 8.052 1.00 0.80 C ATOM 771 C LYS A 54 -7.058 -5.987 6.586 1.00 0.72 C ATOM 772 O LYS A 54 -8.017 -6.195 5.843 1.00 0.86 O ATOM 773 CB LYS A 54 -8.384 -6.418 8.735 1.00 0.99 C ATOM 774 CG LYS A 54 -9.624 -6.516 7.843 1.00 2.89 C ATOM 775 CD LYS A 54 -10.884 -6.751 8.680 1.00 3.26 C ATOM 776 CE LYS A 54 -11.273 -5.488 9.451 1.00 4.64 C ATOM 777 NZ LYS A 54 -11.916 -5.845 10.736 1.00 4.82 N ATOM 0 H LYS A 54 -8.549 -3.951 8.202 1.00 0.73 H new ATOM 0 HA LYS A 54 -6.361 -5.854 8.586 1.00 0.80 H new ATOM 0 HB2 LYS A 54 -8.018 -7.418 8.966 1.00 0.99 H new ATOM 0 HB3 LYS A 54 -8.649 -5.949 9.682 1.00 0.99 H new ATOM 0 HG2 LYS A 54 -9.733 -5.599 7.264 1.00 2.89 H new ATOM 0 HG3 LYS A 54 -9.500 -7.331 7.129 1.00 2.89 H new ATOM 0 HD2 LYS A 54 -11.706 -7.052 8.030 1.00 3.26 H new ATOM 0 HD3 LYS A 54 -10.713 -7.570 9.379 1.00 3.26 H new ATOM 0 HE2 LYS A 54 -10.387 -4.880 9.637 1.00 4.64 H new ATOM 0 HE3 LYS A 54 -11.954 -4.884 8.852 1.00 4.64 H new ATOM 0 HZ1 LYS A 54 -12.174 -4.977 11.248 1.00 4.82 H new ATOM 0 HZ2 LYS A 54 -12.772 -6.406 10.552 1.00 4.82 H new ATOM 0 HZ3 LYS A 54 -11.254 -6.403 11.312 1.00 4.82 H new ATOM 791 N ALA A 55 -5.789 -6.064 6.212 1.00 0.65 N ATOM 792 CA ALA A 55 -5.431 -6.413 4.848 1.00 0.57 C ATOM 793 C ALA A 55 -4.244 -7.380 4.868 1.00 0.55 C ATOM 794 O ALA A 55 -3.694 -7.671 5.930 1.00 0.61 O ATOM 795 CB ALA A 55 -5.130 -5.138 4.057 1.00 0.58 C ATOM 0 H ALA A 55 -4.996 -5.891 6.830 1.00 0.65 H new ATOM 0 HA ALA A 55 -6.260 -6.918 4.351 1.00 0.57 H new ATOM 0 HB1 ALA A 55 -4.861 -5.400 3.034 1.00 0.58 H new ATOM 0 HB2 ALA A 55 -6.013 -4.498 4.048 1.00 0.58 H new ATOM 0 HB3 ALA A 55 -4.301 -4.607 4.525 1.00 0.58 H new ATOM 801 N ALA A 56 -3.886 -7.851 3.684 1.00 0.50 N ATOM 802 CA ALA A 56 -2.774 -8.779 3.552 1.00 0.53 C ATOM 803 C ALA A 56 -2.086 -8.556 2.205 1.00 0.46 C ATOM 804 O ALA A 56 -2.749 -8.316 1.196 1.00 0.50 O ATOM 805 CB ALA A 56 -3.285 -10.213 3.716 1.00 0.64 C ATOM 0 H ALA A 56 -4.345 -7.608 2.806 1.00 0.50 H new ATOM 0 HA ALA A 56 -2.033 -8.605 4.332 1.00 0.53 H new ATOM 0 HB1 ALA A 56 -2.452 -10.909 3.617 1.00 0.64 H new ATOM 0 HB2 ALA A 56 -3.739 -10.327 4.700 1.00 0.64 H new ATOM 0 HB3 ALA A 56 -4.028 -10.425 2.947 1.00 0.64 H new ATOM 811 N VAL A 57 -0.764 -8.640 2.231 1.00 0.53 N ATOM 812 CA VAL A 57 0.022 -8.450 1.024 1.00 0.49 C ATOM 813 C VAL A 57 0.239 -9.802 0.343 1.00 0.60 C ATOM 814 O VAL A 57 0.672 -10.761 0.981 1.00 0.70 O ATOM 815 CB VAL A 57 1.333 -7.733 1.360 1.00 0.53 C ATOM 816 CG1 VAL A 57 2.148 -8.532 2.379 1.00 1.90 C ATOM 817 CG2 VAL A 57 2.149 -7.463 0.096 1.00 2.12 C ATOM 0 H VAL A 57 -0.217 -8.837 3.069 1.00 0.53 H new ATOM 0 HA VAL A 57 -0.511 -7.812 0.319 1.00 0.49 H new ATOM 0 HB VAL A 57 1.084 -6.772 1.809 1.00 0.53 H new ATOM 0 HG11 VAL A 57 3.074 -8.001 2.601 1.00 1.90 H new ATOM 0 HG12 VAL A 57 1.569 -8.650 3.295 1.00 1.90 H new ATOM 0 HG13 VAL A 57 2.382 -9.514 1.968 1.00 1.90 H new ATOM 0 HG21 VAL A 57 3.075 -6.953 0.363 1.00 2.12 H new ATOM 0 HG22 VAL A 57 2.383 -8.408 -0.395 1.00 2.12 H new ATOM 0 HG23 VAL A 57 1.572 -6.835 -0.583 1.00 2.12 H new ATOM 827 N SER A 58 -0.073 -9.837 -0.944 1.00 0.61 N ATOM 828 CA SER A 58 0.082 -11.057 -1.719 1.00 0.76 C ATOM 829 C SER A 58 0.797 -10.752 -3.037 1.00 0.73 C ATOM 830 O SER A 58 0.377 -9.871 -3.786 1.00 1.16 O ATOM 831 CB SER A 58 -1.273 -11.713 -1.990 1.00 0.96 C ATOM 832 OG SER A 58 -2.139 -11.634 -0.861 1.00 1.21 O ATOM 0 H SER A 58 -0.432 -9.040 -1.470 1.00 0.61 H new ATOM 0 HA SER A 58 0.684 -11.756 -1.139 1.00 0.76 H new ATOM 0 HB2 SER A 58 -1.746 -11.229 -2.844 1.00 0.96 H new ATOM 0 HB3 SER A 58 -1.122 -12.758 -2.259 1.00 0.96 H new ATOM 0 HG SER A 58 -2.994 -12.062 -1.074 1.00 1.21 H new ATOM 838 N GLY A 59 1.864 -11.498 -3.280 1.00 0.60 N ATOM 839 CA GLY A 59 2.641 -11.320 -4.495 1.00 0.56 C ATOM 840 C GLY A 59 1.820 -11.691 -5.731 1.00 0.81 C ATOM 841 O GLY A 59 0.790 -12.355 -5.620 1.00 1.21 O ATOM 0 H GLY A 59 2.209 -12.227 -2.656 1.00 0.60 H new ATOM 0 HA2 GLY A 59 2.971 -10.284 -4.571 1.00 0.56 H new ATOM 0 HA3 GLY A 59 3.538 -11.938 -4.451 1.00 0.56 H new ATOM 885 N LYS A 64 8.984 -10.010 -7.351 1.00 0.79 N ATOM 886 CA LYS A 64 9.194 -8.657 -7.835 1.00 0.69 C ATOM 887 C LYS A 64 7.845 -7.945 -7.947 1.00 0.59 C ATOM 888 O LYS A 64 7.765 -6.727 -7.786 1.00 0.65 O ATOM 889 CB LYS A 64 9.990 -8.673 -9.142 1.00 0.71 C ATOM 890 CG LYS A 64 9.380 -9.655 -10.144 1.00 1.00 C ATOM 891 CD LYS A 64 9.514 -9.131 -11.576 1.00 1.01 C ATOM 892 CE LYS A 64 10.362 -10.078 -12.428 1.00 1.89 C ATOM 893 NZ LYS A 64 9.727 -10.296 -13.747 1.00 2.33 N ATOM 0 HA LYS A 64 9.798 -8.089 -7.127 1.00 0.69 H new ATOM 0 HB2 LYS A 64 10.008 -7.672 -9.573 1.00 0.71 H new ATOM 0 HB3 LYS A 64 11.024 -8.951 -8.939 1.00 0.71 H new ATOM 0 HG2 LYS A 64 9.876 -10.622 -10.059 1.00 1.00 H new ATOM 0 HG3 LYS A 64 8.328 -9.814 -9.908 1.00 1.00 H new ATOM 0 HD2 LYS A 64 8.525 -9.022 -12.021 1.00 1.01 H new ATOM 0 HD3 LYS A 64 9.969 -8.141 -11.564 1.00 1.01 H new ATOM 0 HE2 LYS A 64 11.360 -9.661 -12.563 1.00 1.89 H new ATOM 0 HE3 LYS A 64 10.482 -11.031 -11.913 1.00 1.89 H new ATOM 0 HZ1 LYS A 64 10.315 -10.941 -14.313 1.00 2.33 H new ATOM 0 HZ2 LYS A 64 8.784 -10.714 -13.614 1.00 2.33 H new ATOM 0 HZ3 LYS A 64 9.635 -9.386 -14.243 1.00 2.33 H new ATOM 907 N THR A 65 6.815 -8.733 -8.221 1.00 0.54 N ATOM 908 CA THR A 65 5.473 -8.193 -8.355 1.00 0.50 C ATOM 909 C THR A 65 4.669 -8.437 -7.077 1.00 0.45 C ATOM 910 O THR A 65 4.621 -9.559 -6.574 1.00 0.54 O ATOM 911 CB THR A 65 4.837 -8.813 -9.601 1.00 0.60 C ATOM 912 OG1 THR A 65 5.366 -8.047 -10.680 1.00 0.66 O ATOM 913 CG2 THR A 65 3.329 -8.565 -9.673 1.00 0.64 C ATOM 0 H THR A 65 6.883 -9.742 -8.354 1.00 0.54 H new ATOM 0 HA THR A 65 5.493 -7.111 -8.486 1.00 0.50 H new ATOM 0 HB THR A 65 5.030 -9.886 -9.611 1.00 0.60 H new ATOM 0 HG1 THR A 65 5.096 -7.110 -10.580 1.00 0.66 H new ATOM 0 HG21 THR A 65 2.927 -9.025 -10.576 1.00 0.64 H new ATOM 0 HG22 THR A 65 2.846 -9.000 -8.798 1.00 0.64 H new ATOM 0 HG23 THR A 65 3.137 -7.492 -9.697 1.00 0.64 H new ATOM 921 N MET A 66 4.057 -7.369 -6.588 1.00 0.42 N ATOM 922 CA MET A 66 3.259 -7.453 -5.377 1.00 0.40 C ATOM 923 C MET A 66 1.810 -7.041 -5.647 1.00 0.37 C ATOM 924 O MET A 66 1.525 -6.377 -6.643 1.00 0.43 O ATOM 925 CB MET A 66 3.858 -6.540 -4.305 1.00 0.41 C ATOM 926 CG MET A 66 4.530 -7.360 -3.202 1.00 0.51 C ATOM 927 SD MET A 66 5.619 -8.576 -3.923 1.00 1.50 S ATOM 928 CE MET A 66 6.822 -7.501 -4.687 1.00 0.81 C ATOM 0 H MET A 66 4.098 -6.441 -7.009 1.00 0.42 H new ATOM 0 HA MET A 66 3.266 -8.487 -5.031 1.00 0.40 H new ATOM 0 HB2 MET A 66 4.586 -5.868 -4.759 1.00 0.41 H new ATOM 0 HB3 MET A 66 3.075 -5.916 -3.874 1.00 0.41 H new ATOM 0 HG2 MET A 66 5.093 -6.702 -2.540 1.00 0.51 H new ATOM 0 HG3 MET A 66 3.773 -7.854 -2.592 1.00 0.51 H new ATOM 0 HE1 MET A 66 7.663 -8.094 -5.047 1.00 0.81 H new ATOM 0 HE2 MET A 66 6.362 -6.977 -5.525 1.00 0.81 H new ATOM 0 HE3 MET A 66 7.177 -6.775 -3.956 1.00 0.81 H new ATOM 938 N VAL A 67 0.933 -7.451 -4.743 1.00 0.38 N ATOM 939 CA VAL A 67 -0.479 -7.133 -4.871 1.00 0.39 C ATOM 940 C VAL A 67 -1.122 -7.120 -3.483 1.00 0.41 C ATOM 941 O VAL A 67 -1.185 -8.150 -2.813 1.00 0.49 O ATOM 942 CB VAL A 67 -1.151 -8.115 -5.832 1.00 0.43 C ATOM 943 CG1 VAL A 67 -2.652 -7.835 -5.940 1.00 1.66 C ATOM 944 CG2 VAL A 67 -0.486 -8.076 -7.209 1.00 1.65 C ATOM 0 H VAL A 67 1.173 -8.001 -3.918 1.00 0.38 H new ATOM 0 HA VAL A 67 -0.610 -6.139 -5.299 1.00 0.39 H new ATOM 0 HB VAL A 67 -1.025 -9.119 -5.428 1.00 0.43 H new ATOM 0 HG11 VAL A 67 -3.106 -8.547 -6.629 1.00 1.66 H new ATOM 0 HG12 VAL A 67 -3.113 -7.937 -4.957 1.00 1.66 H new ATOM 0 HG13 VAL A 67 -2.807 -6.822 -6.310 1.00 1.66 H new ATOM 0 HG21 VAL A 67 -0.983 -8.783 -7.873 1.00 1.65 H new ATOM 0 HG22 VAL A 67 -0.566 -7.071 -7.624 1.00 1.65 H new ATOM 0 HG23 VAL A 67 0.566 -8.346 -7.113 1.00 1.65 H new ATOM 954 N ILE A 68 -1.584 -5.942 -3.090 1.00 0.39 N ATOM 955 CA ILE A 68 -2.220 -5.780 -1.794 1.00 0.41 C ATOM 956 C ILE A 68 -3.713 -6.090 -1.921 1.00 0.42 C ATOM 957 O ILE A 68 -4.411 -5.473 -2.725 1.00 0.44 O ATOM 958 CB ILE A 68 -1.926 -4.393 -1.220 1.00 0.44 C ATOM 959 CG1 ILE A 68 -0.767 -4.445 -0.223 1.00 0.48 C ATOM 960 CG2 ILE A 68 -3.183 -3.776 -0.606 1.00 0.53 C ATOM 961 CD1 ILE A 68 0.581 -4.411 -0.947 1.00 0.48 C ATOM 0 H ILE A 68 -1.530 -5.090 -3.647 1.00 0.39 H new ATOM 0 HA ILE A 68 -1.807 -6.489 -1.077 1.00 0.41 H new ATOM 0 HB ILE A 68 -1.616 -3.744 -2.039 1.00 0.44 H new ATOM 0 HG12 ILE A 68 -0.836 -3.602 0.465 1.00 0.48 H new ATOM 0 HG13 ILE A 68 -0.839 -5.352 0.377 1.00 0.48 H new ATOM 0 HG21 ILE A 68 -2.946 -2.790 -0.205 1.00 0.53 H new ATOM 0 HG22 ILE A 68 -3.953 -3.681 -1.372 1.00 0.53 H new ATOM 0 HG23 ILE A 68 -3.547 -4.416 0.197 1.00 0.53 H new ATOM 0 HD11 ILE A 68 1.388 -4.449 -0.215 1.00 0.48 H new ATOM 0 HD12 ILE A 68 0.657 -5.269 -1.616 1.00 0.48 H new ATOM 0 HD13 ILE A 68 0.660 -3.491 -1.526 1.00 0.48 H new ATOM 973 N THR A 69 -4.159 -7.043 -1.117 1.00 0.44 N ATOM 974 CA THR A 69 -5.556 -7.441 -1.130 1.00 0.47 C ATOM 975 C THR A 69 -6.123 -7.441 0.291 1.00 0.48 C ATOM 976 O THR A 69 -5.752 -8.279 1.111 1.00 0.54 O ATOM 977 CB THR A 69 -5.654 -8.801 -1.824 1.00 0.52 C ATOM 978 OG1 THR A 69 -6.278 -8.510 -3.071 1.00 0.56 O ATOM 979 CG2 THR A 69 -6.636 -9.745 -1.127 1.00 0.54 C ATOM 0 H THR A 69 -3.577 -7.552 -0.452 1.00 0.44 H new ATOM 0 HA THR A 69 -6.165 -6.731 -1.689 1.00 0.47 H new ATOM 0 HB THR A 69 -4.668 -9.263 -1.857 1.00 0.52 H new ATOM 0 HG1 THR A 69 -6.379 -9.337 -3.587 1.00 0.56 H new ATOM 0 HG21 THR A 69 -6.667 -10.695 -1.660 1.00 0.54 H new ATOM 0 HG22 THR A 69 -6.311 -9.915 -0.101 1.00 0.54 H new ATOM 0 HG23 THR A 69 -7.630 -9.298 -1.123 1.00 0.54 H new ATOM 987 N PRO A 70 -7.039 -6.468 0.545 1.00 0.47 N ATOM 988 CA PRO A 70 -7.661 -6.348 1.852 1.00 0.50 C ATOM 989 C PRO A 70 -8.713 -7.439 2.060 1.00 0.50 C ATOM 990 O PRO A 70 -9.516 -7.710 1.168 1.00 0.52 O ATOM 991 CB PRO A 70 -8.246 -4.946 1.882 1.00 0.57 C ATOM 992 CG PRO A 70 -8.336 -4.500 0.432 1.00 0.58 C ATOM 993 CD PRO A 70 -7.503 -5.459 -0.403 1.00 0.50 C ATOM 0 HA PRO A 70 -6.953 -6.487 2.669 1.00 0.50 H new ATOM 0 HB2 PRO A 70 -9.229 -4.943 2.353 1.00 0.57 H new ATOM 0 HB3 PRO A 70 -7.614 -4.271 2.459 1.00 0.57 H new ATOM 0 HG2 PRO A 70 -9.373 -4.502 0.095 1.00 0.58 H new ATOM 0 HG3 PRO A 70 -7.968 -3.480 0.323 1.00 0.58 H new ATOM 0 HD2 PRO A 70 -8.096 -5.907 -1.200 1.00 0.50 H new ATOM 0 HD3 PRO A 70 -6.666 -4.947 -0.878 1.00 0.50 H new ATOM 1001 N ALA A 71 -8.675 -8.036 3.242 1.00 0.53 N ATOM 1002 CA ALA A 71 -9.615 -9.092 3.579 1.00 0.58 C ATOM 1003 C ALA A 71 -11.024 -8.503 3.673 1.00 0.63 C ATOM 1004 O ALA A 71 -12.012 -9.221 3.528 1.00 0.70 O ATOM 1005 CB ALA A 71 -9.179 -9.769 4.879 1.00 0.65 C ATOM 0 H ALA A 71 -8.008 -7.808 3.979 1.00 0.53 H new ATOM 0 HA ALA A 71 -9.628 -9.856 2.802 1.00 0.58 H new ATOM 0 HB1 ALA A 71 -9.884 -10.561 5.131 1.00 0.65 H new ATOM 0 HB2 ALA A 71 -8.184 -10.196 4.751 1.00 0.65 H new ATOM 0 HB3 ALA A 71 -9.157 -9.033 5.683 1.00 0.65 H new ATOM 1011 N SER A 72 -11.072 -7.200 3.915 1.00 0.73 N ATOM 1012 CA SER A 72 -12.343 -6.507 4.030 1.00 0.84 C ATOM 1013 C SER A 72 -12.454 -5.433 2.946 1.00 0.72 C ATOM 1014 O SER A 72 -11.442 -4.904 2.485 1.00 0.59 O ATOM 1015 CB SER A 72 -12.505 -5.881 5.417 1.00 0.93 C ATOM 1016 OG SER A 72 -13.501 -6.545 6.189 1.00 1.15 O ATOM 0 H SER A 72 -10.251 -6.607 4.034 1.00 0.73 H new ATOM 0 HA SER A 72 -13.143 -7.235 3.894 1.00 0.84 H new ATOM 0 HB2 SER A 72 -11.552 -5.918 5.945 1.00 0.93 H new ATOM 0 HB3 SER A 72 -12.770 -4.829 5.311 1.00 0.93 H new ATOM 0 HG SER A 72 -13.573 -6.117 7.068 1.00 1.15 H new ATOM 1022 N PRO A 73 -13.723 -5.134 2.560 1.00 0.84 N ATOM 1023 CA PRO A 73 -13.978 -4.133 1.538 1.00 0.82 C ATOM 1024 C PRO A 73 -13.778 -2.721 2.093 1.00 0.64 C ATOM 1025 O PRO A 73 -14.247 -2.406 3.186 1.00 0.63 O ATOM 1026 CB PRO A 73 -15.404 -4.393 1.080 1.00 1.03 C ATOM 1027 CG PRO A 73 -16.050 -5.223 2.177 1.00 1.14 C ATOM 1028 CD PRO A 73 -14.945 -5.740 3.084 1.00 1.05 C ATOM 0 HA PRO A 73 -13.285 -4.202 0.699 1.00 0.82 H new ATOM 0 HB2 PRO A 73 -15.943 -3.457 0.930 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -15.418 -4.925 0.129 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -16.759 -4.620 2.745 1.00 1.14 H new ATOM 0 HG3 PRO A 73 -16.611 -6.053 1.747 1.00 1.14 H new ATOM 0 HD2 PRO A 73 -15.117 -5.452 4.121 1.00 1.05 H new ATOM 0 HD3 PRO A 73 -14.889 -6.828 3.060 1.00 1.05 H new ATOM 1036 N LEU A 74 -13.080 -1.908 1.314 1.00 0.59 N ATOM 1037 CA LEU A 74 -12.811 -0.536 1.713 1.00 0.50 C ATOM 1038 C LEU A 74 -14.107 0.274 1.641 1.00 0.50 C ATOM 1039 O LEU A 74 -14.681 0.439 0.566 1.00 0.62 O ATOM 1040 CB LEU A 74 -11.671 0.052 0.879 1.00 0.63 C ATOM 1041 CG LEU A 74 -10.347 -0.716 0.918 1.00 0.67 C ATOM 1042 CD1 LEU A 74 -9.428 -0.281 -0.225 1.00 0.85 C ATOM 1043 CD2 LEU A 74 -9.671 -0.573 2.282 1.00 0.57 C ATOM 0 H LEU A 74 -12.692 -2.173 0.408 1.00 0.59 H new ATOM 0 HA LEU A 74 -12.469 -0.500 2.747 1.00 0.50 H new ATOM 0 HB2 LEU A 74 -12.001 0.116 -0.158 1.00 0.63 H new ATOM 0 HB3 LEU A 74 -11.487 1.071 1.218 1.00 0.63 H new ATOM 0 HG LEU A 74 -10.561 -1.775 0.774 1.00 0.67 H new ATOM 0 HD11 LEU A 74 -8.494 -0.841 -0.175 1.00 0.85 H new ATOM 0 HD12 LEU A 74 -9.917 -0.476 -1.179 1.00 0.85 H new ATOM 0 HD13 LEU A 74 -9.217 0.785 -0.136 1.00 0.85 H new ATOM 0 HD21 LEU A 74 -8.733 -1.128 2.283 1.00 0.57 H new ATOM 0 HD22 LEU A 74 -9.470 0.480 2.480 1.00 0.57 H new ATOM 0 HD23 LEU A 74 -10.328 -0.969 3.057 1.00 0.57 H new ATOM 1055 N THR A 75 -14.529 0.761 2.799 1.00 0.46 N ATOM 1056 CA THR A 75 -15.745 1.550 2.881 1.00 0.56 C ATOM 1057 C THR A 75 -15.452 3.017 2.558 1.00 0.56 C ATOM 1058 O THR A 75 -14.312 3.465 2.669 1.00 0.66 O ATOM 1059 CB THR A 75 -16.351 1.343 4.270 1.00 0.66 C ATOM 1060 OG1 THR A 75 -15.260 1.563 5.161 1.00 0.81 O ATOM 1061 CG2 THR A 75 -16.751 -0.111 4.524 1.00 0.58 C ATOM 0 H THR A 75 -14.049 0.624 3.689 1.00 0.46 H new ATOM 0 HA THR A 75 -16.477 1.227 2.140 1.00 0.56 H new ATOM 0 HB THR A 75 -17.225 1.985 4.384 1.00 0.66 H new ATOM 0 HG1 THR A 75 -14.582 2.115 4.718 1.00 0.81 H new ATOM 0 HG21 THR A 75 -17.175 -0.202 5.524 1.00 0.58 H new ATOM 0 HG22 THR A 75 -17.492 -0.419 3.786 1.00 0.58 H new ATOM 0 HG23 THR A 75 -15.871 -0.750 4.444 1.00 0.58 H new ATOM 1069 N ALA A 76 -16.501 3.724 2.165 1.00 0.52 N ATOM 1070 CA ALA A 76 -16.370 5.131 1.825 1.00 0.55 C ATOM 1071 C ALA A 76 -15.493 5.823 2.870 1.00 0.58 C ATOM 1072 O ALA A 76 -15.562 5.503 4.055 1.00 0.90 O ATOM 1073 CB ALA A 76 -17.761 5.761 1.720 1.00 0.60 C ATOM 0 H ALA A 76 -17.445 3.349 2.074 1.00 0.52 H new ATOM 0 HA ALA A 76 -15.884 5.250 0.857 1.00 0.55 H new ATOM 0 HB1 ALA A 76 -17.664 6.816 1.465 1.00 0.60 H new ATOM 0 HB2 ALA A 76 -18.334 5.252 0.945 1.00 0.60 H new ATOM 0 HB3 ALA A 76 -18.277 5.664 2.675 1.00 0.60 H new ATOM 1079 N GLY A 77 -14.687 6.761 2.392 1.00 0.49 N ATOM 1080 CA GLY A 77 -13.798 7.501 3.269 1.00 0.50 C ATOM 1081 C GLY A 77 -12.432 7.716 2.612 1.00 0.48 C ATOM 1082 O GLY A 77 -12.322 7.713 1.387 1.00 0.52 O ATOM 0 H GLY A 77 -14.632 7.024 1.408 1.00 0.49 H new ATOM 0 HA2 GLY A 77 -14.243 8.465 3.514 1.00 0.50 H new ATOM 0 HA3 GLY A 77 -13.673 6.960 4.207 1.00 0.50 H new ATOM 1086 N THR A 78 -11.427 7.897 3.455 1.00 0.47 N ATOM 1087 CA THR A 78 -10.074 8.112 2.972 1.00 0.46 C ATOM 1088 C THR A 78 -9.089 7.216 3.725 1.00 0.43 C ATOM 1089 O THR A 78 -9.177 7.079 4.944 1.00 0.45 O ATOM 1090 CB THR A 78 -9.758 9.604 3.100 1.00 0.51 C ATOM 1091 OG1 THR A 78 -10.641 10.226 2.172 1.00 0.62 O ATOM 1092 CG2 THR A 78 -8.362 9.953 2.578 1.00 0.60 C ATOM 0 H THR A 78 -11.523 7.899 4.471 1.00 0.47 H new ATOM 0 HA THR A 78 -9.980 7.833 1.922 1.00 0.46 H new ATOM 0 HB THR A 78 -9.841 9.905 4.144 1.00 0.51 H new ATOM 0 HG1 THR A 78 -10.883 11.118 2.498 1.00 0.62 H new ATOM 0 HG21 THR A 78 -8.188 11.023 2.692 1.00 0.60 H new ATOM 0 HG22 THR A 78 -7.613 9.401 3.146 1.00 0.60 H new ATOM 0 HG23 THR A 78 -8.290 9.684 1.524 1.00 0.60 H new ATOM 1100 N TYR A 79 -8.175 6.628 2.968 1.00 0.41 N ATOM 1101 CA TYR A 79 -7.175 5.749 3.549 1.00 0.40 C ATOM 1102 C TYR A 79 -5.792 6.021 2.953 1.00 0.42 C ATOM 1103 O TYR A 79 -5.679 6.643 1.898 1.00 0.43 O ATOM 1104 CB TYR A 79 -7.601 4.325 3.183 1.00 0.40 C ATOM 1105 CG TYR A 79 -9.044 3.990 3.569 1.00 0.39 C ATOM 1106 CD1 TYR A 79 -10.094 4.615 2.926 1.00 1.69 C ATOM 1107 CD2 TYR A 79 -9.296 3.062 4.560 1.00 1.97 C ATOM 1108 CE1 TYR A 79 -11.450 4.300 3.290 1.00 1.71 C ATOM 1109 CE2 TYR A 79 -10.652 2.747 4.922 1.00 1.96 C ATOM 1110 CZ TYR A 79 -11.663 3.381 4.270 1.00 0.48 C ATOM 1111 OH TYR A 79 -12.945 3.083 4.613 1.00 0.56 O ATOM 0 H TYR A 79 -8.106 6.743 1.957 1.00 0.41 H new ATOM 0 HA TYR A 79 -7.109 5.903 4.626 1.00 0.40 H new ATOM 0 HB2 TYR A 79 -7.481 4.185 2.109 1.00 0.40 H new ATOM 0 HB3 TYR A 79 -6.931 3.619 3.673 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -9.898 5.340 2.150 1.00 1.69 H new ATOM 0 HD2 TYR A 79 -8.475 2.573 5.063 1.00 1.97 H new ATOM 0 HE1 TYR A 79 -12.280 4.783 2.796 1.00 1.71 H new ATOM 0 HE2 TYR A 79 -10.863 2.023 5.695 1.00 1.96 H new ATOM 0 HH TYR A 79 -13.561 3.538 4.002 1.00 0.56 H new ATOM 1121 N LYS A 80 -4.776 5.543 3.656 1.00 0.48 N ATOM 1122 CA LYS A 80 -3.405 5.727 3.210 1.00 0.53 C ATOM 1123 C LYS A 80 -2.668 4.388 3.270 1.00 0.47 C ATOM 1124 O LYS A 80 -2.512 3.810 4.345 1.00 0.47 O ATOM 1125 CB LYS A 80 -2.726 6.840 4.012 1.00 0.65 C ATOM 1126 CG LYS A 80 -2.539 8.096 3.158 1.00 1.56 C ATOM 1127 CD LYS A 80 -2.664 9.361 4.009 1.00 2.94 C ATOM 1128 CE LYS A 80 -1.782 10.482 3.457 1.00 3.15 C ATOM 1129 NZ LYS A 80 -0.619 10.711 4.344 1.00 2.66 N ATOM 0 H LYS A 80 -4.874 5.029 4.531 1.00 0.48 H new ATOM 0 HA LYS A 80 -3.384 6.055 2.171 1.00 0.53 H new ATOM 0 HB2 LYS A 80 -3.327 7.079 4.890 1.00 0.65 H new ATOM 0 HB3 LYS A 80 -1.757 6.494 4.373 1.00 0.65 H new ATOM 0 HG2 LYS A 80 -1.561 8.071 2.678 1.00 1.56 H new ATOM 0 HG3 LYS A 80 -3.284 8.113 2.362 1.00 1.56 H new ATOM 0 HD2 LYS A 80 -3.704 9.688 4.030 1.00 2.94 H new ATOM 0 HD3 LYS A 80 -2.378 9.141 5.038 1.00 2.94 H new ATOM 0 HE2 LYS A 80 -1.438 10.222 2.456 1.00 3.15 H new ATOM 0 HE3 LYS A 80 -2.364 11.399 3.366 1.00 3.15 H new ATOM 0 HZ1 LYS A 80 -0.031 11.475 3.955 1.00 2.66 H new ATOM 0 HZ2 LYS A 80 -0.953 10.980 5.292 1.00 2.66 H new ATOM 0 HZ3 LYS A 80 -0.055 9.839 4.410 1.00 2.66 H new ATOM 1143 N VAL A 81 -2.236 3.934 2.104 1.00 0.46 N ATOM 1144 CA VAL A 81 -1.519 2.673 2.011 1.00 0.42 C ATOM 1145 C VAL A 81 -0.014 2.941 2.073 1.00 0.42 C ATOM 1146 O VAL A 81 0.595 3.315 1.072 1.00 0.50 O ATOM 1147 CB VAL A 81 -1.941 1.923 0.746 1.00 0.42 C ATOM 1148 CG1 VAL A 81 -1.131 0.636 0.575 1.00 0.49 C ATOM 1149 CG2 VAL A 81 -3.443 1.629 0.758 1.00 0.48 C ATOM 0 H VAL A 81 -2.368 4.416 1.215 1.00 0.46 H new ATOM 0 HA VAL A 81 -1.769 2.028 2.854 1.00 0.42 H new ATOM 0 HB VAL A 81 -1.732 2.565 -0.109 1.00 0.42 H new ATOM 0 HG11 VAL A 81 -1.451 0.122 -0.332 1.00 0.49 H new ATOM 0 HG12 VAL A 81 -0.071 0.880 0.499 1.00 0.49 H new ATOM 0 HG13 VAL A 81 -1.293 -0.013 1.436 1.00 0.49 H new ATOM 0 HG21 VAL A 81 -3.717 1.095 -0.152 1.00 0.48 H new ATOM 0 HG22 VAL A 81 -3.687 1.016 1.625 1.00 0.48 H new ATOM 0 HG23 VAL A 81 -3.997 2.566 0.809 1.00 0.48 H new ATOM 1159 N ASP A 82 0.542 2.738 3.258 1.00 0.49 N ATOM 1160 CA ASP A 82 1.965 2.953 3.464 1.00 0.51 C ATOM 1161 C ASP A 82 2.724 1.670 3.122 1.00 0.50 C ATOM 1162 O ASP A 82 2.646 0.685 3.853 1.00 0.64 O ATOM 1163 CB ASP A 82 2.264 3.306 4.922 1.00 0.57 C ATOM 1164 CG ASP A 82 1.569 4.567 5.437 1.00 0.74 C ATOM 1165 OD1 ASP A 82 1.757 5.667 4.896 1.00 1.87 O ATOM 1166 OD2 ASP A 82 0.796 4.388 6.455 1.00 1.34 O ATOM 0 H ASP A 82 0.033 2.427 4.086 1.00 0.49 H new ATOM 0 HA ASP A 82 2.278 3.777 2.823 1.00 0.51 H new ATOM 0 HB2 ASP A 82 1.971 2.465 5.551 1.00 0.57 H new ATOM 0 HB3 ASP A 82 3.341 3.430 5.037 1.00 0.57 H new ATOM 1171 N TRP A 83 3.443 1.724 2.010 1.00 0.43 N ATOM 1172 CA TRP A 83 4.217 0.578 1.563 1.00 0.44 C ATOM 1173 C TRP A 83 5.696 0.883 1.803 1.00 0.47 C ATOM 1174 O TRP A 83 6.077 2.042 1.966 1.00 0.47 O ATOM 1175 CB TRP A 83 3.906 0.243 0.103 1.00 0.45 C ATOM 1176 CG TRP A 83 4.177 1.391 -0.871 1.00 0.38 C ATOM 1177 CD1 TRP A 83 3.287 2.209 -1.451 1.00 0.41 C ATOM 1178 CD2 TRP A 83 5.467 1.820 -1.358 1.00 0.35 C ATOM 1179 NE1 TRP A 83 3.906 3.129 -2.273 1.00 0.39 N ATOM 1180 CE2 TRP A 83 5.273 2.884 -2.214 1.00 0.36 C ATOM 1181 CE3 TRP A 83 6.753 1.324 -1.083 1.00 0.41 C ATOM 1182 CZ2 TRP A 83 6.323 3.544 -2.866 1.00 0.43 C ATOM 1183 CZ3 TRP A 83 7.791 1.994 -1.742 1.00 0.49 C ATOM 1184 CH2 TRP A 83 7.613 3.067 -2.608 1.00 0.51 C ATOM 0 H TRP A 83 3.506 2.543 1.406 1.00 0.43 H new ATOM 0 HA TRP A 83 3.949 -0.313 2.131 1.00 0.44 H new ATOM 0 HB2 TRP A 83 4.500 -0.621 -0.195 1.00 0.45 H new ATOM 0 HB3 TRP A 83 2.859 -0.048 0.023 1.00 0.45 H new ATOM 0 HD1 TRP A 83 2.220 2.155 -1.295 1.00 0.41 H new ATOM 0 HE1 TRP A 83 3.445 3.855 -2.822 1.00 0.39 H new ATOM 0 HE3 TRP A 83 6.927 0.492 -0.416 1.00 0.41 H new ATOM 0 HZ2 TRP A 83 6.146 4.376 -3.532 1.00 0.43 H new ATOM 0 HZ3 TRP A 83 8.801 1.653 -1.565 1.00 0.49 H new ATOM 0 HH2 TRP A 83 8.467 3.530 -3.080 1.00 0.51 H new ATOM 1195 N ARG A 84 6.492 -0.176 1.820 1.00 0.55 N ATOM 1196 CA ARG A 84 7.921 -0.036 2.037 1.00 0.63 C ATOM 1197 C ARG A 84 8.684 -1.113 1.263 1.00 0.68 C ATOM 1198 O ARG A 84 8.508 -2.305 1.513 1.00 0.70 O ATOM 1199 CB ARG A 84 8.265 -0.147 3.525 1.00 0.69 C ATOM 1200 CG ARG A 84 7.953 1.159 4.258 1.00 0.75 C ATOM 1201 CD ARG A 84 7.862 0.932 5.768 1.00 1.16 C ATOM 1202 NE ARG A 84 6.654 0.139 6.089 1.00 1.97 N ATOM 1203 CZ ARG A 84 6.122 0.036 7.326 1.00 2.38 C ATOM 1204 NH1 ARG A 84 6.689 0.677 8.371 1.00 2.39 N ATOM 1205 NH2 ARG A 84 5.040 -0.699 7.498 1.00 4.02 N ATOM 0 H ARG A 84 6.173 -1.136 1.687 1.00 0.55 H new ATOM 0 HA ARG A 84 8.216 0.951 1.679 1.00 0.63 H new ATOM 0 HB2 ARG A 84 7.699 -0.964 3.973 1.00 0.69 H new ATOM 0 HB3 ARG A 84 9.321 -0.390 3.641 1.00 0.69 H new ATOM 0 HG2 ARG A 84 8.728 1.895 4.043 1.00 0.75 H new ATOM 0 HG3 ARG A 84 7.013 1.570 3.891 1.00 0.75 H new ATOM 0 HD2 ARG A 84 8.753 0.412 6.120 1.00 1.16 H new ATOM 0 HD3 ARG A 84 7.827 1.890 6.287 1.00 1.16 H new ATOM 0 HE ARG A 84 6.194 -0.361 5.328 1.00 1.97 H new ATOM 0 HH11 ARG A 84 7.525 1.244 8.229 1.00 2.39 H new ATOM 0 HH12 ARG A 84 6.281 0.594 9.302 1.00 2.39 H new ATOM 0 HH21 ARG A 84 4.618 -1.179 6.703 1.00 4.02 H new ATOM 0 HH22 ARG A 84 4.626 -0.787 8.426 1.00 4.02 H new ATOM 1324 N ILE A 93 13.314 1.542 1.463 1.00 0.69 N ATOM 1325 CA ILE A 93 12.590 2.656 0.874 1.00 0.64 C ATOM 1326 C ILE A 93 11.146 2.642 1.376 1.00 0.58 C ATOM 1327 O ILE A 93 10.516 1.588 1.439 1.00 0.79 O ATOM 1328 CB ILE A 93 12.711 2.625 -0.652 1.00 0.80 C ATOM 1329 CG1 ILE A 93 14.172 2.756 -1.088 1.00 1.44 C ATOM 1330 CG2 ILE A 93 11.823 3.694 -1.293 1.00 1.56 C ATOM 1331 CD1 ILE A 93 14.764 4.090 -0.631 1.00 3.03 C ATOM 0 HA ILE A 93 13.027 3.604 1.187 1.00 0.64 H new ATOM 0 HB ILE A 93 12.355 1.657 -1.005 1.00 0.80 H new ATOM 0 HG12 ILE A 93 14.754 1.934 -0.672 1.00 1.44 H new ATOM 0 HG13 ILE A 93 14.240 2.677 -2.173 1.00 1.44 H new ATOM 0 HG21 ILE A 93 11.927 3.651 -2.377 1.00 1.56 H new ATOM 0 HG22 ILE A 93 10.783 3.514 -1.021 1.00 1.56 H new ATOM 0 HG23 ILE A 93 12.126 4.679 -0.938 1.00 1.56 H new ATOM 0 HD11 ILE A 93 15.803 4.157 -0.954 1.00 3.03 H new ATOM 0 HD12 ILE A 93 14.194 4.910 -1.069 1.00 3.03 H new ATOM 0 HD13 ILE A 93 14.717 4.156 0.456 1.00 3.03 H new ATOM 1343 N THR A 94 10.662 3.827 1.723 1.00 0.51 N ATOM 1344 CA THR A 94 9.303 3.965 2.217 1.00 0.50 C ATOM 1345 C THR A 94 8.432 4.689 1.190 1.00 0.45 C ATOM 1346 O THR A 94 8.921 5.531 0.439 1.00 0.56 O ATOM 1347 CB THR A 94 9.364 4.676 3.571 1.00 0.60 C ATOM 1348 OG1 THR A 94 9.918 5.953 3.268 1.00 0.67 O ATOM 1349 CG2 THR A 94 10.383 4.043 4.521 1.00 0.76 C ATOM 0 H THR A 94 11.188 4.700 1.671 1.00 0.51 H new ATOM 0 HA THR A 94 8.835 2.992 2.364 1.00 0.50 H new ATOM 0 HB THR A 94 8.377 4.658 4.034 1.00 0.60 H new ATOM 0 HG1 THR A 94 9.991 6.481 4.090 1.00 0.67 H new ATOM 0 HG21 THR A 94 10.385 4.586 5.466 1.00 0.76 H new ATOM 0 HG22 THR A 94 10.115 3.002 4.701 1.00 0.76 H new ATOM 0 HG23 THR A 94 11.376 4.090 4.073 1.00 0.76 H new ATOM 1357 N GLY A 95 7.155 4.333 1.188 1.00 0.42 N ATOM 1358 CA GLY A 95 6.211 4.938 0.264 1.00 0.41 C ATOM 1359 C GLY A 95 4.778 4.815 0.786 1.00 0.38 C ATOM 1360 O GLY A 95 4.489 3.958 1.621 1.00 0.44 O ATOM 0 H GLY A 95 6.753 3.633 1.812 1.00 0.42 H new ATOM 0 HA2 GLY A 95 6.460 5.989 0.120 1.00 0.41 H new ATOM 0 HA3 GLY A 95 6.290 4.455 -0.710 1.00 0.41 H new ATOM 1364 N SER A 96 3.918 5.682 0.271 1.00 0.39 N ATOM 1365 CA SER A 96 2.522 5.680 0.675 1.00 0.41 C ATOM 1366 C SER A 96 1.630 5.993 -0.527 1.00 0.38 C ATOM 1367 O SER A 96 2.066 6.641 -1.477 1.00 0.49 O ATOM 1368 CB SER A 96 2.272 6.688 1.798 1.00 0.55 C ATOM 1369 OG SER A 96 3.443 6.923 2.576 1.00 0.71 O ATOM 0 H SER A 96 4.161 6.390 -0.422 1.00 0.39 H new ATOM 0 HA SER A 96 2.277 4.688 1.053 1.00 0.41 H new ATOM 0 HB2 SER A 96 1.926 7.629 1.370 1.00 0.55 H new ATOM 0 HB3 SER A 96 1.475 6.320 2.444 1.00 0.55 H new ATOM 0 HG SER A 96 3.296 6.607 3.492 1.00 0.71 H new ATOM 1375 N VAL A 97 0.395 5.517 -0.448 1.00 0.36 N ATOM 1376 CA VAL A 97 -0.562 5.738 -1.519 1.00 0.35 C ATOM 1377 C VAL A 97 -1.935 6.036 -0.915 1.00 0.37 C ATOM 1378 O VAL A 97 -2.640 5.125 -0.483 1.00 0.37 O ATOM 1379 CB VAL A 97 -0.575 4.537 -2.465 1.00 0.37 C ATOM 1380 CG1 VAL A 97 -1.369 4.848 -3.735 1.00 0.44 C ATOM 1381 CG2 VAL A 97 0.850 4.091 -2.806 1.00 0.45 C ATOM 0 H VAL A 97 0.036 4.979 0.341 1.00 0.36 H new ATOM 0 HA VAL A 97 -0.274 6.603 -2.117 1.00 0.35 H new ATOM 0 HB VAL A 97 -1.071 3.713 -1.952 1.00 0.37 H new ATOM 0 HG11 VAL A 97 -1.362 3.977 -4.391 1.00 0.44 H new ATOM 0 HG12 VAL A 97 -2.397 5.095 -3.470 1.00 0.44 H new ATOM 0 HG13 VAL A 97 -0.914 5.694 -4.251 1.00 0.44 H new ATOM 0 HG21 VAL A 97 0.812 3.235 -3.480 1.00 0.45 H new ATOM 0 HG22 VAL A 97 1.382 4.910 -3.289 1.00 0.45 H new ATOM 0 HG23 VAL A 97 1.372 3.809 -1.891 1.00 0.45 H new ATOM 1391 N THR A 98 -2.276 7.317 -0.903 1.00 0.40 N ATOM 1392 CA THR A 98 -3.552 7.748 -0.359 1.00 0.42 C ATOM 1393 C THR A 98 -4.643 7.663 -1.428 1.00 0.41 C ATOM 1394 O THR A 98 -4.439 8.089 -2.564 1.00 0.41 O ATOM 1395 CB THR A 98 -3.371 9.155 0.215 1.00 0.47 C ATOM 1396 OG1 THR A 98 -4.523 9.347 1.032 1.00 0.52 O ATOM 1397 CG2 THR A 98 -3.488 10.242 -0.854 1.00 0.49 C ATOM 0 H THR A 98 -1.690 8.070 -1.262 1.00 0.40 H new ATOM 0 HA THR A 98 -3.880 7.093 0.448 1.00 0.42 H new ATOM 0 HB THR A 98 -2.398 9.227 0.701 1.00 0.47 H new ATOM 0 HG1 THR A 98 -4.938 8.480 1.221 1.00 0.52 H new ATOM 0 HG21 THR A 98 -3.352 11.221 -0.394 1.00 0.49 H new ATOM 0 HG22 THR A 98 -2.722 10.089 -1.614 1.00 0.49 H new ATOM 0 HG23 THR A 98 -4.474 10.193 -1.317 1.00 0.49 H new ATOM 1405 N PHE A 99 -5.779 7.112 -1.027 1.00 0.48 N ATOM 1406 CA PHE A 99 -6.903 6.966 -1.936 1.00 0.49 C ATOM 1407 C PHE A 99 -8.226 7.249 -1.222 1.00 0.44 C ATOM 1408 O PHE A 99 -8.353 7.007 -0.023 1.00 0.44 O ATOM 1409 CB PHE A 99 -6.899 5.516 -2.423 1.00 0.53 C ATOM 1410 CG PHE A 99 -7.368 4.505 -1.374 1.00 0.52 C ATOM 1411 CD1 PHE A 99 -8.674 4.473 -0.997 1.00 1.79 C ATOM 1412 CD2 PHE A 99 -6.478 3.642 -0.817 1.00 1.79 C ATOM 1413 CE1 PHE A 99 -9.109 3.536 -0.023 1.00 1.84 C ATOM 1414 CE2 PHE A 99 -6.913 2.704 0.157 1.00 1.75 C ATOM 1415 CZ PHE A 99 -8.219 2.671 0.534 1.00 0.55 C ATOM 0 H PHE A 99 -5.945 6.761 -0.084 1.00 0.48 H new ATOM 0 HA PHE A 99 -6.809 7.672 -2.761 1.00 0.49 H new ATOM 0 HB2 PHE A 99 -7.540 5.437 -3.301 1.00 0.53 H new ATOM 0 HB3 PHE A 99 -5.890 5.253 -2.740 1.00 0.53 H new ATOM 0 HD1 PHE A 99 -9.380 5.160 -1.438 1.00 1.79 H new ATOM 0 HD2 PHE A 99 -5.440 3.669 -1.115 1.00 1.79 H new ATOM 0 HE1 PHE A 99 -10.147 3.510 0.276 1.00 1.84 H new ATOM 0 HE2 PHE A 99 -6.206 2.017 0.598 1.00 1.75 H new ATOM 0 HZ PHE A 99 -8.550 1.958 1.275 1.00 0.55 H new ATOM 1425 N LYS A 100 -9.180 7.757 -1.990 1.00 0.44 N ATOM 1426 CA LYS A 100 -10.489 8.075 -1.446 1.00 0.42 C ATOM 1427 C LYS A 100 -11.490 7.002 -1.877 1.00 0.41 C ATOM 1428 O LYS A 100 -11.231 6.246 -2.813 1.00 0.44 O ATOM 1429 CB LYS A 100 -10.901 9.495 -1.839 1.00 0.47 C ATOM 1430 CG LYS A 100 -10.032 10.535 -1.130 1.00 0.51 C ATOM 1431 CD LYS A 100 -10.889 11.654 -0.536 1.00 1.30 C ATOM 1432 CE LYS A 100 -10.634 12.980 -1.255 1.00 1.69 C ATOM 1433 NZ LYS A 100 -10.853 14.119 -0.335 1.00 2.26 N ATOM 0 H LYS A 100 -9.072 7.956 -2.985 1.00 0.44 H new ATOM 0 HA LYS A 100 -10.462 8.066 -0.356 1.00 0.42 H new ATOM 0 HB2 LYS A 100 -10.813 9.617 -2.919 1.00 0.47 H new ATOM 0 HB3 LYS A 100 -11.948 9.657 -1.585 1.00 0.47 H new ATOM 0 HG2 LYS A 100 -9.456 10.054 -0.339 1.00 0.51 H new ATOM 0 HG3 LYS A 100 -9.315 10.956 -1.835 1.00 0.51 H new ATOM 0 HD2 LYS A 100 -11.944 11.390 -0.615 1.00 1.30 H new ATOM 0 HD3 LYS A 100 -10.666 11.763 0.525 1.00 1.30 H new ATOM 0 HE2 LYS A 100 -9.613 13.004 -1.636 1.00 1.69 H new ATOM 0 HE3 LYS A 100 -11.297 13.067 -2.116 1.00 1.69 H new ATOM 0 HZ1 LYS A 100 -10.676 15.011 -0.839 1.00 2.26 H new ATOM 0 HZ2 LYS A 100 -11.835 14.104 0.008 1.00 2.26 H new ATOM 0 HZ3 LYS A 100 -10.203 14.043 0.473 1.00 2.26 H new ATOM 1447 N VAL A 101 -12.613 6.968 -1.175 1.00 0.40 N ATOM 1448 CA VAL A 101 -13.654 6.000 -1.474 1.00 0.42 C ATOM 1449 C VAL A 101 -15.023 6.667 -1.323 1.00 0.46 C ATOM 1450 O VAL A 101 -15.426 7.023 -0.216 1.00 0.50 O ATOM 1451 CB VAL A 101 -13.490 4.765 -0.587 1.00 0.42 C ATOM 1452 CG1 VAL A 101 -14.683 3.819 -0.738 1.00 0.55 C ATOM 1453 CG2 VAL A 101 -12.176 4.043 -0.890 1.00 0.45 C ATOM 0 H VAL A 101 -12.825 7.596 -0.399 1.00 0.40 H new ATOM 0 HA VAL A 101 -13.572 5.656 -2.505 1.00 0.42 H new ATOM 0 HB VAL A 101 -13.457 5.099 0.450 1.00 0.42 H new ATOM 0 HG11 VAL A 101 -14.541 2.949 -0.097 1.00 0.55 H new ATOM 0 HG12 VAL A 101 -15.597 4.337 -0.449 1.00 0.55 H new ATOM 0 HG13 VAL A 101 -14.762 3.496 -1.776 1.00 0.55 H new ATOM 0 HG21 VAL A 101 -12.084 3.169 -0.246 1.00 0.45 H new ATOM 0 HG22 VAL A 101 -12.166 3.727 -1.933 1.00 0.45 H new ATOM 0 HG23 VAL A 101 -11.340 4.718 -0.707 1.00 0.45 H new ATOM 1463 N LYS A 102 -15.701 6.816 -2.451 1.00 0.51 N ATOM 1464 CA LYS A 102 -17.016 7.434 -2.459 1.00 0.58 C ATOM 1465 C LYS A 102 -18.076 6.364 -2.725 1.00 0.68 C ATOM 1466 O LYS A 102 -18.651 5.808 -1.790 1.00 1.30 O ATOM 1467 CB LYS A 102 -17.055 8.599 -3.450 1.00 0.66 C ATOM 1468 CG LYS A 102 -15.902 9.572 -3.199 1.00 0.68 C ATOM 1469 CD LYS A 102 -16.405 10.858 -2.538 1.00 1.01 C ATOM 1470 CE LYS A 102 -15.385 11.988 -2.692 1.00 1.78 C ATOM 1471 NZ LYS A 102 -16.072 13.278 -2.926 1.00 2.52 N ATOM 1472 OXT LYS A 102 -18.541 5.703 -1.799 1.00 1.38 O ATOM 0 H LYS A 102 -15.364 6.519 -3.367 1.00 0.51 H new ATOM 0 HA LYS A 102 -17.239 7.868 -1.484 1.00 0.58 H new ATOM 0 HB2 LYS A 102 -16.997 8.216 -4.469 1.00 0.66 H new ATOM 0 HB3 LYS A 102 -18.005 9.125 -3.361 1.00 0.66 H new ATOM 0 HG2 LYS A 102 -15.155 9.099 -2.562 1.00 0.68 H new ATOM 0 HG3 LYS A 102 -15.411 9.811 -4.142 1.00 0.68 H new ATOM 0 HD2 LYS A 102 -17.353 11.155 -2.987 1.00 1.01 H new ATOM 0 HD3 LYS A 102 -16.596 10.677 -1.480 1.00 1.01 H new ATOM 0 HE2 LYS A 102 -14.769 12.055 -1.795 1.00 1.78 H new ATOM 0 HE3 LYS A 102 -14.715 11.770 -3.523 1.00 1.78 H new ATOM 0 HZ1 LYS A 102 -15.365 14.034 -3.028 1.00 2.52 H new ATOM 0 HZ2 LYS A 102 -16.641 13.216 -3.794 1.00 2.52 H new ATOM 0 HZ3 LYS A 102 -16.693 13.492 -2.120 1.00 2.52 H new