USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 537 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 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.18 (180deg=1.13) USER MOD Single : A 5 LYS NZ :NH3+ -140:sc= 1.06 (180deg=0.888) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 82:sc= 0.333 USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.0776 (180deg=-0.454) USER MOD Single : A 13 LYS NZ :NH3+ 127:sc= -0.233 (180deg=-1.61!) USER MOD Single : A 17 THR OG1 : rot -84:sc= 1.41 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0366 (180deg=-0.328) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= -0.041 (180deg=-0.214) USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -0.185 (180deg=-0.79) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 2:sc= 0.638 USER MOD Single : A 37 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.096) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -0.191 (180deg=-0.923) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 136:sc= -2.73! (180deg=-5.95!) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0153) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= 0.982 (180deg=0.23) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -4.040 -7.439 -3.226 1.00 1.32 N ATOM 37 CA LYS A 3 -4.139 -6.521 -2.103 1.00 1.00 C ATOM 38 C LYS A 3 -3.116 -6.880 -1.038 1.00 1.03 C ATOM 39 O LYS A 3 -2.266 -7.748 -1.247 1.00 1.56 O ATOM 40 CB LYS A 3 -5.540 -6.538 -1.495 1.00 1.17 C ATOM 41 CG LYS A 3 -6.619 -5.995 -2.412 1.00 1.44 C ATOM 42 CD LYS A 3 -7.907 -5.722 -1.650 1.00 1.73 C ATOM 43 CE LYS A 3 -8.447 -6.975 -0.986 1.00 2.34 C ATOM 44 NZ LYS A 3 -9.646 -6.687 -0.158 1.00 3.09 N ATOM 0 HA LYS A 3 -3.938 -5.517 -2.476 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -5.793 -7.562 -1.220 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -5.532 -5.954 -0.575 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -6.271 -5.076 -2.882 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -6.812 -6.709 -3.212 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -7.726 -4.959 -0.893 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -8.656 -5.322 -2.334 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -8.701 -7.711 -1.749 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -7.672 -7.418 -0.361 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -10.055 -7.580 0.183 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -9.373 -6.099 0.655 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -10.350 -6.180 -0.731 1.00 3.09 H new ATOM 58 N VAL A 4 -3.212 -6.229 0.108 1.00 0.84 N ATOM 59 CA VAL A 4 -2.235 -6.407 1.167 1.00 0.90 C ATOM 60 C VAL A 4 -2.638 -7.490 2.158 1.00 0.82 C ATOM 61 O VAL A 4 -3.809 -7.652 2.490 1.00 0.85 O ATOM 62 CB VAL A 4 -2.005 -5.089 1.931 1.00 1.06 C ATOM 63 CG1 VAL A 4 -1.424 -4.043 0.999 1.00 1.46 C ATOM 64 CG2 VAL A 4 -3.295 -4.585 2.561 1.00 1.31 C ATOM 0 H VAL A 4 -3.959 -5.571 0.329 1.00 0.84 H new ATOM 0 HA VAL A 4 -1.312 -6.719 0.678 1.00 0.90 H new ATOM 0 HB VAL A 4 -1.295 -5.280 2.736 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -1.265 -3.115 1.548 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -0.473 -4.398 0.602 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -2.116 -3.864 0.176 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -3.100 -3.654 3.093 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -4.036 -4.410 1.781 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -3.674 -5.330 3.261 1.00 1.31 H new ATOM 74 N LYS A 5 -1.633 -8.233 2.605 1.00 0.79 N ATOM 75 CA LYS A 5 -1.817 -9.262 3.621 1.00 0.77 C ATOM 76 C LYS A 5 -1.396 -8.726 4.977 1.00 0.78 C ATOM 77 O LYS A 5 -1.964 -9.079 6.014 1.00 1.45 O ATOM 78 CB LYS A 5 -1.001 -10.514 3.282 1.00 0.93 C ATOM 79 CG LYS A 5 -1.443 -11.231 2.015 1.00 1.38 C ATOM 80 CD LYS A 5 -2.798 -11.896 2.186 1.00 1.91 C ATOM 81 CE LYS A 5 -3.163 -12.713 0.959 1.00 2.43 C ATOM 82 NZ LYS A 5 -4.459 -13.423 1.117 1.00 2.70 N ATOM 0 H LYS A 5 -0.672 -8.140 2.276 1.00 0.79 H new ATOM 0 HA LYS A 5 -2.872 -9.535 3.649 1.00 0.77 H new ATOM 0 HB2 LYS A 5 0.047 -10.232 3.178 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -1.063 -11.210 4.119 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -1.489 -10.518 1.192 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -0.701 -11.982 1.745 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -2.782 -12.541 3.065 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -3.560 -11.137 2.361 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -3.215 -12.056 0.091 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -2.375 -13.440 0.762 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -4.385 -14.376 0.706 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -4.692 -13.499 2.128 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -5.208 -12.892 0.628 1.00 2.70 H new ATOM 96 N PHE A 6 -0.394 -7.858 4.914 1.00 0.58 N ATOM 97 CA PHE A 6 0.201 -7.181 6.074 1.00 0.57 C ATOM 98 C PHE A 6 0.238 -8.103 7.304 1.00 0.58 C ATOM 99 O PHE A 6 0.629 -9.266 7.187 1.00 0.85 O ATOM 100 CB PHE A 6 -0.496 -5.817 6.353 1.00 0.59 C ATOM 101 CG PHE A 6 -1.951 -5.841 6.794 1.00 0.58 C ATOM 102 CD1 PHE A 6 -2.982 -6.178 5.923 1.00 0.60 C ATOM 103 CD2 PHE A 6 -2.282 -5.476 8.091 1.00 0.65 C ATOM 104 CE1 PHE A 6 -4.300 -6.150 6.342 1.00 0.65 C ATOM 105 CE2 PHE A 6 -3.596 -5.453 8.514 1.00 0.70 C ATOM 106 CZ PHE A 6 -4.606 -5.790 7.637 1.00 0.67 C ATOM 0 H PHE A 6 0.044 -7.594 4.032 1.00 0.58 H new ATOM 0 HA PHE A 6 1.239 -6.950 5.837 1.00 0.57 H new ATOM 0 HB2 PHE A 6 0.078 -5.299 7.121 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -0.431 -5.216 5.446 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -2.751 -6.465 4.908 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -1.498 -5.205 8.782 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -5.090 -6.411 5.654 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -3.833 -5.172 9.530 1.00 0.70 H new ATOM 0 HZ PHE A 6 -5.635 -5.772 7.964 1.00 0.67 H new ATOM 116 N LYS A 7 -0.139 -7.587 8.465 1.00 0.53 N ATOM 117 CA LYS A 7 -0.217 -8.385 9.680 1.00 0.57 C ATOM 118 C LYS A 7 -0.980 -7.609 10.749 1.00 0.59 C ATOM 119 O LYS A 7 -0.683 -6.444 11.026 1.00 0.63 O ATOM 120 CB LYS A 7 1.180 -8.834 10.171 1.00 0.70 C ATOM 121 CG LYS A 7 2.225 -7.728 10.301 1.00 1.34 C ATOM 122 CD LYS A 7 2.158 -7.028 11.647 1.00 1.71 C ATOM 123 CE LYS A 7 3.249 -5.980 11.782 1.00 2.66 C ATOM 124 NZ LYS A 7 3.091 -5.179 13.023 1.00 3.64 N ATOM 0 H LYS A 7 -0.398 -6.609 8.591 1.00 0.53 H new ATOM 0 HA LYS A 7 -0.763 -9.303 9.460 1.00 0.57 H new ATOM 0 HB2 LYS A 7 1.066 -9.316 11.142 1.00 0.70 H new ATOM 0 HB3 LYS A 7 1.561 -9.589 9.483 1.00 0.70 H new ATOM 0 HG2 LYS A 7 3.219 -8.153 10.164 1.00 1.34 H new ATOM 0 HG3 LYS A 7 2.078 -6.997 9.506 1.00 1.34 H new ATOM 0 HD2 LYS A 7 1.182 -6.557 11.765 1.00 1.71 H new ATOM 0 HD3 LYS A 7 2.256 -7.763 12.446 1.00 1.71 H new ATOM 0 HE2 LYS A 7 4.224 -6.468 11.785 1.00 2.66 H new ATOM 0 HE3 LYS A 7 3.227 -5.318 10.916 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 3.854 -4.474 13.081 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 2.171 -4.694 13.008 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 3.137 -5.808 13.850 1.00 3.64 H new ATOM 138 N TYR A 8 -2.003 -8.240 11.301 1.00 0.61 N ATOM 139 CA TYR A 8 -2.845 -7.610 12.305 1.00 0.67 C ATOM 140 C TYR A 8 -3.202 -8.624 13.378 1.00 0.85 C ATOM 141 O TYR A 8 -3.721 -9.696 13.066 1.00 0.86 O ATOM 142 CB TYR A 8 -4.109 -7.050 11.646 1.00 0.63 C ATOM 143 CG TYR A 8 -5.072 -6.370 12.596 1.00 0.71 C ATOM 144 CD1 TYR A 8 -4.768 -5.142 13.167 1.00 0.88 C ATOM 145 CD2 TYR A 8 -6.290 -6.956 12.907 1.00 0.82 C ATOM 146 CE1 TYR A 8 -5.654 -4.517 14.025 1.00 1.03 C ATOM 147 CE2 TYR A 8 -7.182 -6.337 13.762 1.00 0.97 C ATOM 148 CZ TYR A 8 -6.859 -5.121 14.321 1.00 1.03 C ATOM 149 OH TYR A 8 -7.751 -4.504 15.171 1.00 1.23 O ATOM 0 H TYR A 8 -2.272 -9.196 11.068 1.00 0.61 H new ATOM 0 HA TYR A 8 -2.305 -6.785 12.770 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -3.815 -6.336 10.876 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -4.631 -7.864 11.143 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -3.825 -4.668 12.938 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -6.546 -7.912 12.474 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -5.404 -3.561 14.461 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -8.128 -6.805 13.991 1.00 0.97 H new ATOM 0 HH TYR A 8 -8.265 -3.833 14.675 1.00 1.23 H new ATOM 159 N LYS A 9 -2.868 -8.299 14.628 1.00 1.11 N ATOM 160 CA LYS A 9 -3.120 -9.178 15.779 1.00 1.36 C ATOM 161 C LYS A 9 -2.236 -10.426 15.728 1.00 1.30 C ATOM 162 O LYS A 9 -2.221 -11.229 16.660 1.00 1.73 O ATOM 163 CB LYS A 9 -4.600 -9.588 15.835 1.00 1.70 C ATOM 164 CG LYS A 9 -5.549 -8.429 16.095 1.00 1.73 C ATOM 165 CD LYS A 9 -5.620 -8.075 17.570 1.00 2.19 C ATOM 166 CE LYS A 9 -6.329 -9.158 18.371 1.00 2.65 C ATOM 167 NZ LYS A 9 -7.730 -9.361 17.914 1.00 2.90 N ATOM 0 H LYS A 9 -2.415 -7.419 14.875 1.00 1.11 H new ATOM 0 HA LYS A 9 -2.873 -8.618 16.681 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -4.872 -10.063 14.892 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -4.731 -10.335 16.618 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -5.222 -7.558 15.528 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -6.545 -8.688 15.735 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -4.612 -7.934 17.960 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -6.145 -7.128 17.693 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -5.779 -10.095 18.281 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -6.327 -8.888 19.427 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -8.266 -9.864 18.650 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -8.173 -8.438 17.733 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -7.732 -9.924 17.039 1.00 2.90 H new ATOM 181 N GLY A 10 -1.501 -10.578 14.639 1.00 1.10 N ATOM 182 CA GLY A 10 -0.665 -11.742 14.456 1.00 1.12 C ATOM 183 C GLY A 10 -1.248 -12.672 13.417 1.00 0.98 C ATOM 184 O GLY A 10 -0.834 -13.825 13.287 1.00 1.11 O ATOM 0 H GLY A 10 -1.469 -9.907 13.871 1.00 1.10 H new ATOM 0 HA2 GLY A 10 0.334 -11.432 14.151 1.00 1.12 H new ATOM 0 HA3 GLY A 10 -0.559 -12.270 15.403 1.00 1.12 H new ATOM 188 N GLU A 11 -2.233 -12.164 12.688 1.00 0.95 N ATOM 189 CA GLU A 11 -2.892 -12.921 11.638 1.00 1.20 C ATOM 190 C GLU A 11 -2.840 -12.133 10.330 1.00 1.00 C ATOM 191 O GLU A 11 -2.710 -10.905 10.345 1.00 1.38 O ATOM 192 CB GLU A 11 -4.345 -13.190 12.046 1.00 1.69 C ATOM 193 CG GLU A 11 -4.784 -14.634 11.854 1.00 2.37 C ATOM 194 CD GLU A 11 -4.917 -15.028 10.399 1.00 3.21 C ATOM 195 OE1 GLU A 11 -3.890 -15.351 9.768 1.00 3.81 O ATOM 196 OE2 GLU A 11 -6.054 -15.018 9.881 1.00 3.60 O ATOM 0 H GLU A 11 -2.595 -11.218 12.809 1.00 0.95 H new ATOM 0 HA GLU A 11 -2.383 -13.874 11.491 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -4.474 -12.918 13.094 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -5.001 -12.541 11.465 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -4.064 -15.293 12.338 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -5.741 -14.786 12.354 1.00 2.37 H new ATOM 203 N GLU A 12 -2.924 -12.839 9.211 1.00 0.98 N ATOM 204 CA GLU A 12 -2.877 -12.206 7.899 1.00 0.87 C ATOM 205 C GLU A 12 -4.269 -11.759 7.473 1.00 0.79 C ATOM 206 O GLU A 12 -5.211 -12.558 7.461 1.00 0.89 O ATOM 207 CB GLU A 12 -2.297 -13.158 6.853 1.00 1.13 C ATOM 208 CG GLU A 12 -0.875 -13.606 7.149 1.00 1.80 C ATOM 209 CD GLU A 12 -0.286 -14.431 6.026 1.00 2.11 C ATOM 210 OE1 GLU A 12 -0.583 -15.642 5.952 1.00 2.30 O ATOM 211 OE2 GLU A 12 0.467 -13.869 5.204 1.00 2.43 O ATOM 0 H GLU A 12 -3.025 -13.854 9.185 1.00 0.98 H new ATOM 0 HA GLU A 12 -2.229 -11.333 7.972 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -2.937 -14.037 6.782 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -2.318 -12.669 5.879 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -0.249 -12.730 7.320 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -0.865 -14.190 8.069 1.00 1.80 H new ATOM 218 N LYS A 13 -4.393 -10.490 7.124 1.00 0.71 N ATOM 219 CA LYS A 13 -5.683 -9.921 6.752 1.00 0.75 C ATOM 220 C LYS A 13 -5.589 -9.272 5.375 1.00 0.73 C ATOM 221 O LYS A 13 -4.512 -9.179 4.805 1.00 1.21 O ATOM 222 CB LYS A 13 -6.126 -8.875 7.784 1.00 0.96 C ATOM 223 CG LYS A 13 -5.914 -9.288 9.235 1.00 0.86 C ATOM 224 CD LYS A 13 -6.915 -10.334 9.709 1.00 1.44 C ATOM 225 CE LYS A 13 -8.245 -9.712 10.117 1.00 2.02 C ATOM 226 NZ LYS A 13 -9.180 -9.551 8.972 1.00 2.73 N ATOM 0 H LYS A 13 -3.616 -9.830 7.090 1.00 0.71 H new ATOM 0 HA LYS A 13 -6.420 -10.724 6.724 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -5.582 -7.949 7.600 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -7.183 -8.659 7.632 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -4.904 -9.681 9.351 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -5.989 -8.407 9.872 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -7.084 -11.060 8.914 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -6.496 -10.879 10.555 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -8.714 -10.335 10.879 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -8.062 -8.738 10.570 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -10.093 -9.993 9.204 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -9.324 -8.539 8.781 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -8.779 -10.009 8.129 1.00 2.73 H new ATOM 240 N GLU A 14 -6.723 -8.839 4.854 1.00 0.55 N ATOM 241 CA GLU A 14 -6.778 -8.102 3.596 1.00 0.54 C ATOM 242 C GLU A 14 -7.804 -6.985 3.692 1.00 0.65 C ATOM 243 O GLU A 14 -8.950 -7.212 4.081 1.00 0.88 O ATOM 244 CB GLU A 14 -7.118 -9.018 2.409 1.00 0.60 C ATOM 245 CG GLU A 14 -5.949 -9.862 1.928 1.00 1.38 C ATOM 246 CD GLU A 14 -6.265 -10.635 0.664 1.00 1.90 C ATOM 247 OE1 GLU A 14 -6.111 -10.077 -0.441 1.00 2.38 O ATOM 248 OE2 GLU A 14 -6.658 -11.818 0.770 1.00 2.39 O ATOM 0 H GLU A 14 -7.634 -8.986 5.288 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.789 -7.680 3.419 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -7.937 -9.678 2.695 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -7.476 -8.406 1.581 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -5.090 -9.216 1.748 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -5.663 -10.561 2.714 1.00 1.38 H new ATOM 255 N VAL A 15 -7.389 -5.781 3.348 1.00 0.68 N ATOM 256 CA VAL A 15 -8.270 -4.629 3.390 1.00 0.82 C ATOM 257 C VAL A 15 -8.301 -3.966 2.018 1.00 0.72 C ATOM 258 O VAL A 15 -7.300 -3.958 1.308 1.00 1.19 O ATOM 259 CB VAL A 15 -7.818 -3.613 4.470 1.00 1.20 C ATOM 260 CG1 VAL A 15 -6.429 -3.066 4.169 1.00 1.53 C ATOM 261 CG2 VAL A 15 -8.829 -2.481 4.611 1.00 2.11 C ATOM 0 H VAL A 15 -6.441 -5.574 3.034 1.00 0.68 H new ATOM 0 HA VAL A 15 -9.272 -4.967 3.655 1.00 0.82 H new ATOM 0 HB VAL A 15 -7.767 -4.143 5.421 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -6.141 -2.356 4.945 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -5.712 -3.887 4.144 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -6.438 -2.563 3.202 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -8.488 -1.782 5.375 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -8.926 -1.959 3.659 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -9.797 -2.891 4.900 1.00 2.11 H new ATOM 271 N ASP A 16 -9.463 -3.465 1.626 1.00 0.76 N ATOM 272 CA ASP A 16 -9.599 -2.771 0.351 1.00 0.98 C ATOM 273 C ASP A 16 -9.095 -1.348 0.495 1.00 0.91 C ATOM 274 O ASP A 16 -9.150 -0.771 1.581 1.00 1.57 O ATOM 275 CB ASP A 16 -11.059 -2.760 -0.115 1.00 1.33 C ATOM 276 CG ASP A 16 -11.604 -4.149 -0.371 1.00 1.87 C ATOM 277 OD1 ASP A 16 -11.167 -4.798 -1.348 1.00 2.64 O ATOM 278 OD2 ASP A 16 -12.461 -4.609 0.411 1.00 2.08 O ATOM 0 H ASP A 16 -10.324 -3.525 2.170 1.00 0.76 H new ATOM 0 HA ASP A 16 -9.007 -3.299 -0.397 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -11.673 -2.267 0.639 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -11.140 -2.169 -1.027 1.00 1.33 H new ATOM 283 N THR A 17 -8.632 -0.779 -0.610 1.00 0.98 N ATOM 284 CA THR A 17 -8.035 0.549 -0.601 1.00 0.92 C ATOM 285 C THR A 17 -9.079 1.638 -0.370 1.00 0.85 C ATOM 286 O THR A 17 -8.748 2.819 -0.244 1.00 1.17 O ATOM 287 CB THR A 17 -7.302 0.817 -1.927 1.00 1.36 C ATOM 288 OG1 THR A 17 -7.356 -0.355 -2.754 1.00 1.66 O ATOM 289 CG2 THR A 17 -5.850 1.198 -1.680 1.00 1.86 C ATOM 0 H THR A 17 -8.659 -1.220 -1.529 1.00 0.98 H new ATOM 0 HA THR A 17 -7.324 0.577 0.224 1.00 0.92 H new ATOM 0 HB THR A 17 -7.796 1.648 -2.430 1.00 1.36 H new ATOM 0 HG1 THR A 17 -6.636 -0.969 -2.499 1.00 1.66 H new ATOM 0 HG21 THR A 17 -5.355 1.382 -2.633 1.00 1.86 H new ATOM 0 HG22 THR A 17 -5.809 2.100 -1.070 1.00 1.86 H new ATOM 0 HG23 THR A 17 -5.344 0.385 -1.159 1.00 1.86 H new ATOM 297 N SER A 18 -10.340 1.243 -0.338 1.00 0.73 N ATOM 298 CA SER A 18 -11.405 2.155 0.012 1.00 0.86 C ATOM 299 C SER A 18 -11.399 2.464 1.507 1.00 0.82 C ATOM 300 O SER A 18 -11.402 3.631 1.897 1.00 1.13 O ATOM 301 CB SER A 18 -12.746 1.568 -0.416 1.00 1.16 C ATOM 302 OG SER A 18 -12.813 0.181 -0.127 1.00 1.81 O ATOM 0 H SER A 18 -10.648 0.294 -0.551 1.00 0.73 H new ATOM 0 HA SER A 18 -11.245 3.095 -0.516 1.00 0.86 H new ATOM 0 HB2 SER A 18 -13.555 2.089 0.097 1.00 1.16 H new ATOM 0 HB3 SER A 18 -12.892 1.727 -1.484 1.00 1.16 H new ATOM 0 HG SER A 18 -13.683 -0.170 -0.410 1.00 1.81 H new ATOM 308 N LYS A 19 -11.363 1.433 2.351 1.00 0.68 N ATOM 309 CA LYS A 19 -11.387 1.625 3.794 1.00 0.75 C ATOM 310 C LYS A 19 -9.976 1.738 4.348 1.00 0.68 C ATOM 311 O LYS A 19 -9.569 0.955 5.208 1.00 1.06 O ATOM 312 CB LYS A 19 -12.095 0.457 4.497 1.00 0.99 C ATOM 313 CG LYS A 19 -13.599 0.378 4.275 1.00 1.25 C ATOM 314 CD LYS A 19 -13.949 -0.048 2.860 1.00 1.92 C ATOM 315 CE LYS A 19 -15.417 -0.406 2.733 1.00 2.22 C ATOM 316 NZ LYS A 19 -15.753 -1.644 3.485 1.00 3.07 N ATOM 0 H LYS A 19 -11.317 0.458 2.057 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.933 2.549 3.985 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -11.645 -0.476 4.158 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -11.906 0.531 5.568 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -14.032 -0.329 4.983 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -14.046 1.350 4.481 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -13.709 0.758 2.167 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -13.339 -0.905 2.576 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -16.025 0.420 3.103 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -15.668 -0.541 1.681 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -16.649 -2.034 3.129 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -14.995 -2.345 3.356 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -15.850 -1.421 4.496 1.00 3.07 H new ATOM 330 N ILE A 20 -9.231 2.701 3.860 1.00 0.74 N ATOM 331 CA ILE A 20 -7.914 2.980 4.390 1.00 0.71 C ATOM 332 C ILE A 20 -7.710 4.492 4.375 1.00 0.78 C ATOM 333 O ILE A 20 -8.010 5.164 3.386 1.00 1.22 O ATOM 334 CB ILE A 20 -6.811 2.229 3.580 1.00 1.02 C ATOM 335 CG1 ILE A 20 -5.433 2.318 4.265 1.00 1.33 C ATOM 336 CG2 ILE A 20 -6.729 2.744 2.147 1.00 1.79 C ATOM 337 CD1 ILE A 20 -4.680 3.607 4.011 1.00 1.72 C ATOM 0 H ILE A 20 -9.515 3.309 3.092 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.834 2.617 5.415 1.00 0.71 H new ATOM 0 HB ILE A 20 -7.100 1.178 3.552 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -5.569 2.199 5.340 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -4.820 1.483 3.927 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -5.952 2.201 1.609 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -7.687 2.592 1.650 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -6.489 3.807 2.156 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -3.723 3.578 4.532 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.507 3.722 2.941 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -5.267 4.449 4.376 1.00 1.72 H new ATOM 349 N LYS A 21 -7.237 5.024 5.491 1.00 0.62 N ATOM 350 CA LYS A 21 -7.157 6.466 5.678 1.00 0.88 C ATOM 351 C LYS A 21 -5.766 6.970 5.335 1.00 0.78 C ATOM 352 O LYS A 21 -5.576 7.718 4.375 1.00 1.17 O ATOM 353 CB LYS A 21 -7.451 6.843 7.135 1.00 1.13 C ATOM 354 CG LYS A 21 -8.694 6.201 7.732 1.00 1.52 C ATOM 355 CD LYS A 21 -8.829 6.563 9.204 1.00 1.92 C ATOM 356 CE LYS A 21 -9.999 5.854 9.874 1.00 2.23 C ATOM 357 NZ LYS A 21 -9.855 4.377 9.828 1.00 2.46 N ATOM 0 H LYS A 21 -6.901 4.477 6.284 1.00 0.62 H new ATOM 0 HA LYS A 21 -7.896 6.922 5.020 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -6.591 6.568 7.745 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -7.554 7.926 7.199 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -9.578 6.533 7.188 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -8.639 5.118 7.622 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -7.906 6.306 9.724 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -8.959 7.641 9.299 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -10.073 6.179 10.912 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -10.928 6.143 9.382 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -10.637 3.935 10.353 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -9.878 4.057 8.839 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -8.949 4.103 10.260 1.00 2.46 H new ATOM 371 N LYS A 22 -4.797 6.542 6.123 1.00 0.67 N ATOM 372 CA LYS A 22 -3.441 7.043 6.018 1.00 0.70 C ATOM 373 C LYS A 22 -2.503 5.959 5.508 1.00 0.51 C ATOM 374 O LYS A 22 -2.498 4.844 6.026 1.00 0.50 O ATOM 375 CB LYS A 22 -2.968 7.531 7.387 1.00 1.07 C ATOM 376 CG LYS A 22 -1.655 8.285 7.349 1.00 1.44 C ATOM 377 CD LYS A 22 -1.202 8.684 8.742 1.00 2.03 C ATOM 378 CE LYS A 22 -0.110 9.736 8.685 1.00 2.77 C ATOM 379 NZ LYS A 22 -0.577 10.969 7.998 1.00 3.08 N ATOM 0 H LYS A 22 -4.928 5.840 6.851 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.430 7.871 5.309 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -3.734 8.176 7.817 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -2.864 6.673 8.052 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -0.891 7.664 6.881 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -1.764 9.177 6.731 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -2.051 9.068 9.307 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -0.837 7.805 9.274 1.00 2.03 H new ATOM 0 HE2 LYS A 22 0.213 9.982 9.697 1.00 2.77 H new ATOM 0 HE3 LYS A 22 0.758 9.333 8.162 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -0.007 11.779 8.313 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -0.475 10.853 6.970 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -1.577 11.138 8.230 1.00 3.08 H new ATOM 393 N VAL A 23 -1.709 6.293 4.506 1.00 0.49 N ATOM 394 CA VAL A 23 -0.709 5.379 3.982 1.00 0.49 C ATOM 395 C VAL A 23 0.659 6.050 4.062 1.00 0.51 C ATOM 396 O VAL A 23 0.955 6.985 3.317 1.00 0.63 O ATOM 397 CB VAL A 23 -1.032 4.925 2.532 1.00 0.64 C ATOM 398 CG1 VAL A 23 -1.287 6.112 1.611 1.00 1.56 C ATOM 399 CG2 VAL A 23 0.082 4.046 1.982 1.00 1.29 C ATOM 0 H VAL A 23 -1.738 7.198 4.036 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.709 4.473 4.589 1.00 0.49 H new ATOM 0 HB VAL A 23 -1.950 4.338 2.570 1.00 0.64 H new ATOM 0 HG11 VAL A 23 -1.509 5.752 0.606 1.00 1.56 H new ATOM 0 HG12 VAL A 23 -2.133 6.688 1.986 1.00 1.56 H new ATOM 0 HG13 VAL A 23 -0.401 6.746 1.581 1.00 1.56 H new ATOM 0 HG21 VAL A 23 -0.165 3.739 0.966 1.00 1.29 H new ATOM 0 HG22 VAL A 23 1.017 4.606 1.975 1.00 1.29 H new ATOM 0 HG23 VAL A 23 0.192 3.163 2.611 1.00 1.29 H new ATOM 409 N ALA A 24 1.471 5.597 5.001 1.00 0.45 N ATOM 410 CA ALA A 24 2.717 6.276 5.310 1.00 0.51 C ATOM 411 C ALA A 24 3.807 5.293 5.696 1.00 0.46 C ATOM 412 O ALA A 24 3.548 4.270 6.334 1.00 0.44 O ATOM 413 CB ALA A 24 2.496 7.284 6.430 1.00 0.65 C ATOM 0 H ALA A 24 1.291 4.764 5.561 1.00 0.45 H new ATOM 0 HA ALA A 24 3.046 6.800 4.412 1.00 0.51 H new ATOM 0 HB1 ALA A 24 3.435 7.789 6.656 1.00 0.65 H new ATOM 0 HB2 ALA A 24 1.755 8.019 6.117 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.139 6.766 7.320 1.00 0.65 H new ATOM 419 N ARG A 25 5.021 5.604 5.287 1.00 0.60 N ATOM 420 CA ARG A 25 6.179 4.820 5.666 1.00 0.65 C ATOM 421 C ARG A 25 6.823 5.456 6.894 1.00 0.67 C ATOM 422 O ARG A 25 6.515 6.599 7.241 1.00 0.76 O ATOM 423 CB ARG A 25 7.163 4.763 4.497 1.00 0.86 C ATOM 424 CG ARG A 25 8.112 3.577 4.547 1.00 1.27 C ATOM 425 CD ARG A 25 8.964 3.505 3.295 1.00 1.80 C ATOM 426 NE ARG A 25 9.729 2.263 3.218 1.00 2.24 N ATOM 427 CZ ARG A 25 10.304 1.819 2.104 1.00 2.94 C ATOM 428 NH1 ARG A 25 10.253 2.536 0.986 1.00 3.40 N ATOM 429 NH2 ARG A 25 10.953 0.661 2.107 1.00 3.61 N ATOM 0 H ARG A 25 5.232 6.401 4.687 1.00 0.60 H new ATOM 0 HA ARG A 25 5.884 3.800 5.911 1.00 0.65 H new ATOM 0 HB2 ARG A 25 6.601 4.727 3.564 1.00 0.86 H new ATOM 0 HB3 ARG A 25 7.747 5.683 4.482 1.00 0.86 H new ATOM 0 HG2 ARG A 25 8.755 3.659 5.424 1.00 1.27 H new ATOM 0 HG3 ARG A 25 7.541 2.655 4.655 1.00 1.27 H new ATOM 0 HD2 ARG A 25 8.324 3.590 2.417 1.00 1.80 H new ATOM 0 HD3 ARG A 25 9.648 4.353 3.274 1.00 1.80 H new ATOM 0 HE ARG A 25 9.828 1.705 4.066 1.00 2.24 H new ATOM 0 HH11 ARG A 25 9.770 3.434 0.978 1.00 3.40 H new ATOM 0 HH12 ARG A 25 10.697 2.188 0.136 1.00 3.40 H new ATOM 0 HH21 ARG A 25 11.011 0.111 2.964 1.00 3.61 H new ATOM 0 HH22 ARG A 25 11.394 0.321 1.252 1.00 3.61 H new ATOM 443 N VAL A 26 7.720 4.728 7.540 1.00 0.70 N ATOM 444 CA VAL A 26 8.377 5.222 8.744 1.00 0.81 C ATOM 445 C VAL A 26 9.878 4.975 8.662 1.00 0.92 C ATOM 446 O VAL A 26 10.645 5.890 8.367 1.00 1.51 O ATOM 447 CB VAL A 26 7.790 4.598 10.036 1.00 0.95 C ATOM 448 CG1 VAL A 26 6.532 5.342 10.457 1.00 1.32 C ATOM 449 CG2 VAL A 26 7.479 3.117 9.849 1.00 1.07 C ATOM 0 H VAL A 26 8.011 3.794 7.253 1.00 0.70 H new ATOM 0 HA VAL A 26 8.192 6.295 8.799 1.00 0.81 H new ATOM 0 HB VAL A 26 8.542 4.690 10.819 1.00 0.95 H new ATOM 0 HG11 VAL A 26 6.131 4.893 11.366 1.00 1.32 H new ATOM 0 HG12 VAL A 26 6.774 6.388 10.645 1.00 1.32 H new ATOM 0 HG13 VAL A 26 5.789 5.279 9.662 1.00 1.32 H new ATOM 0 HG21 VAL A 26 7.069 2.712 10.774 1.00 1.07 H new ATOM 0 HG22 VAL A 26 6.751 2.997 9.046 1.00 1.07 H new ATOM 0 HG23 VAL A 26 8.394 2.583 9.593 1.00 1.07 H new ATOM 459 N GLY A 27 10.291 3.743 8.899 1.00 0.93 N ATOM 460 CA GLY A 27 11.663 3.363 8.664 1.00 0.96 C ATOM 461 C GLY A 27 11.776 2.583 7.376 1.00 0.89 C ATOM 462 O GLY A 27 11.622 3.146 6.291 1.00 0.98 O ATOM 0 H GLY A 27 9.695 2.995 9.253 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.291 4.253 8.615 1.00 0.96 H new ATOM 0 HA3 GLY A 27 12.028 2.760 9.496 1.00 0.96 H new ATOM 466 N LYS A 28 12.021 1.289 7.483 1.00 0.91 N ATOM 467 CA LYS A 28 11.985 0.429 6.314 1.00 0.97 C ATOM 468 C LYS A 28 10.609 -0.209 6.192 1.00 0.77 C ATOM 469 O LYS A 28 10.265 -0.779 5.159 1.00 0.86 O ATOM 470 CB LYS A 28 13.060 -0.657 6.391 1.00 1.22 C ATOM 471 CG LYS A 28 12.764 -1.753 7.401 1.00 1.60 C ATOM 472 CD LYS A 28 13.817 -2.845 7.349 1.00 1.99 C ATOM 473 CE LYS A 28 13.397 -4.067 8.146 1.00 2.47 C ATOM 474 NZ LYS A 28 14.411 -5.151 8.065 1.00 3.21 N ATOM 0 H LYS A 28 12.245 0.815 8.358 1.00 0.91 H new ATOM 0 HA LYS A 28 12.186 1.039 5.433 1.00 0.97 H new ATOM 0 HB2 LYS A 28 13.177 -1.108 5.406 1.00 1.22 H new ATOM 0 HB3 LYS A 28 14.013 -0.192 6.644 1.00 1.22 H new ATOM 0 HG2 LYS A 28 12.727 -1.327 8.404 1.00 1.60 H new ATOM 0 HG3 LYS A 28 11.782 -2.181 7.200 1.00 1.60 H new ATOM 0 HD2 LYS A 28 13.995 -3.130 6.312 1.00 1.99 H new ATOM 0 HD3 LYS A 28 14.759 -2.461 7.740 1.00 1.99 H new ATOM 0 HE2 LYS A 28 13.246 -3.787 9.189 1.00 2.47 H new ATOM 0 HE3 LYS A 28 12.441 -4.434 7.773 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 14.090 -5.969 8.621 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 14.537 -5.435 7.073 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 15.317 -4.808 8.445 1.00 3.21 H new ATOM 488 N MET A 29 9.804 -0.053 7.233 1.00 0.60 N ATOM 489 CA MET A 29 8.505 -0.703 7.298 1.00 0.52 C ATOM 490 C MET A 29 7.410 0.292 6.956 1.00 0.43 C ATOM 491 O MET A 29 7.620 1.507 7.013 1.00 0.47 O ATOM 492 CB MET A 29 8.252 -1.288 8.691 1.00 0.60 C ATOM 493 CG MET A 29 9.228 -2.381 9.089 1.00 1.39 C ATOM 494 SD MET A 29 8.872 -3.071 10.717 1.00 1.86 S ATOM 495 CE MET A 29 10.191 -4.276 10.861 1.00 2.42 C ATOM 0 H MET A 29 10.029 0.520 8.046 1.00 0.60 H new ATOM 0 HA MET A 29 8.497 -1.518 6.574 1.00 0.52 H new ATOM 0 HB2 MET A 29 8.303 -0.485 9.426 1.00 0.60 H new ATOM 0 HB3 MET A 29 7.239 -1.689 8.727 1.00 0.60 H new ATOM 0 HG2 MET A 29 9.197 -3.178 8.346 1.00 1.39 H new ATOM 0 HG3 MET A 29 10.241 -1.978 9.083 1.00 1.39 H new ATOM 0 HE1 MET A 29 10.111 -4.791 11.818 1.00 2.42 H new ATOM 0 HE2 MET A 29 10.111 -5.001 10.051 1.00 2.42 H new ATOM 0 HE3 MET A 29 11.154 -3.770 10.801 1.00 2.42 H new ATOM 505 N VAL A 30 6.250 -0.224 6.593 1.00 0.52 N ATOM 506 CA VAL A 30 5.119 0.618 6.246 1.00 0.45 C ATOM 507 C VAL A 30 4.036 0.498 7.303 1.00 0.44 C ATOM 508 O VAL A 30 3.522 -0.591 7.546 1.00 0.61 O ATOM 509 CB VAL A 30 4.532 0.230 4.874 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.462 1.224 4.447 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.634 0.130 3.830 1.00 0.61 C ATOM 0 H VAL A 30 6.066 -1.225 6.531 1.00 0.52 H new ATOM 0 HA VAL A 30 5.475 1.647 6.195 1.00 0.45 H new ATOM 0 HB VAL A 30 4.063 -0.750 4.964 1.00 0.56 H new ATOM 0 HG11 VAL A 30 3.061 0.932 3.477 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.659 1.233 5.184 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.899 2.220 4.374 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.200 -0.145 2.868 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.138 1.092 3.739 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.355 -0.629 4.133 1.00 0.61 H new ATOM 521 N SER A 31 3.702 1.611 7.935 1.00 0.35 N ATOM 522 CA SER A 31 2.681 1.627 8.969 1.00 0.39 C ATOM 523 C SER A 31 1.493 2.462 8.510 1.00 0.37 C ATOM 524 O SER A 31 1.572 3.690 8.446 1.00 0.48 O ATOM 525 CB SER A 31 3.258 2.192 10.266 1.00 0.53 C ATOM 526 OG SER A 31 4.420 1.478 10.655 1.00 1.25 O ATOM 0 H SER A 31 4.126 2.520 7.749 1.00 0.35 H new ATOM 0 HA SER A 31 2.344 0.607 9.153 1.00 0.39 H new ATOM 0 HB2 SER A 31 3.502 3.246 10.132 1.00 0.53 H new ATOM 0 HB3 SER A 31 2.510 2.136 11.057 1.00 0.53 H new ATOM 0 HG SER A 31 4.774 1.857 11.486 1.00 1.25 H new ATOM 532 N PHE A 32 0.390 1.800 8.208 1.00 0.34 N ATOM 533 CA PHE A 32 -0.753 2.474 7.615 1.00 0.34 C ATOM 534 C PHE A 32 -1.954 2.439 8.551 1.00 0.34 C ATOM 535 O PHE A 32 -1.993 1.653 9.504 1.00 0.35 O ATOM 536 CB PHE A 32 -1.108 1.848 6.257 1.00 0.35 C ATOM 537 CG PHE A 32 -1.499 0.395 6.319 1.00 0.37 C ATOM 538 CD1 PHE A 32 -0.539 -0.603 6.249 1.00 0.49 C ATOM 539 CD2 PHE A 32 -2.830 0.025 6.436 1.00 0.42 C ATOM 540 CE1 PHE A 32 -0.898 -1.938 6.299 1.00 0.61 C ATOM 541 CE2 PHE A 32 -3.194 -1.307 6.484 1.00 0.53 C ATOM 542 CZ PHE A 32 -2.227 -2.288 6.415 1.00 0.61 C ATOM 0 H PHE A 32 0.261 0.800 8.363 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.481 3.517 7.453 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -1.929 2.413 5.815 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.253 1.952 5.589 1.00 0.35 H new ATOM 0 HD1 PHE A 32 0.503 -0.335 6.154 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.592 0.788 6.490 1.00 0.42 H new ATOM 0 HE1 PHE A 32 -0.139 -2.705 6.247 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -4.235 -1.580 6.575 1.00 0.53 H new ATOM 0 HZ PHE A 32 -2.510 -3.330 6.452 1.00 0.61 H new ATOM 552 N THR A 33 -2.923 3.298 8.279 1.00 0.38 N ATOM 553 CA THR A 33 -4.127 3.377 9.083 1.00 0.46 C ATOM 554 C THR A 33 -5.349 3.025 8.243 1.00 0.50 C ATOM 555 O THR A 33 -5.860 3.854 7.490 1.00 0.62 O ATOM 556 CB THR A 33 -4.304 4.789 9.672 1.00 0.57 C ATOM 557 OG1 THR A 33 -3.076 5.222 10.269 1.00 1.17 O ATOM 558 CG2 THR A 33 -5.411 4.809 10.713 1.00 1.06 C ATOM 0 H THR A 33 -2.896 3.955 7.499 1.00 0.38 H new ATOM 0 HA THR A 33 -4.029 2.663 9.901 1.00 0.46 H new ATOM 0 HB THR A 33 -4.578 5.466 8.863 1.00 0.57 H new ATOM 0 HG1 THR A 33 -3.192 6.121 10.641 1.00 1.17 H new ATOM 0 HG21 THR A 33 -5.516 5.817 11.113 1.00 1.06 H new ATOM 0 HG22 THR A 33 -6.350 4.502 10.252 1.00 1.06 H new ATOM 0 HG23 THR A 33 -5.163 4.122 11.522 1.00 1.06 H new ATOM 566 N TYR A 34 -5.789 1.786 8.363 1.00 0.54 N ATOM 567 CA TYR A 34 -6.966 1.327 7.642 1.00 0.63 C ATOM 568 C TYR A 34 -8.180 1.340 8.562 1.00 0.70 C ATOM 569 O TYR A 34 -8.063 1.566 9.765 1.00 0.95 O ATOM 570 CB TYR A 34 -6.738 -0.068 7.054 1.00 0.69 C ATOM 571 CG TYR A 34 -6.745 -1.193 8.066 1.00 0.64 C ATOM 572 CD1 TYR A 34 -5.657 -1.421 8.898 1.00 0.66 C ATOM 573 CD2 TYR A 34 -7.845 -2.033 8.180 1.00 0.76 C ATOM 574 CE1 TYR A 34 -5.666 -2.451 9.814 1.00 0.72 C ATOM 575 CE2 TYR A 34 -7.861 -3.064 9.094 1.00 0.81 C ATOM 576 CZ TYR A 34 -6.769 -3.268 9.908 1.00 0.75 C ATOM 577 OH TYR A 34 -6.785 -4.288 10.823 1.00 0.87 O ATOM 0 H TYR A 34 -5.351 1.078 8.952 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.153 2.008 6.812 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.510 -0.263 6.309 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -5.782 -0.075 6.531 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -4.790 -0.781 8.826 1.00 0.66 H new ATOM 0 HD2 TYR A 34 -8.702 -1.876 7.542 1.00 0.76 H new ATOM 0 HE1 TYR A 34 -4.812 -2.616 10.454 1.00 0.72 H new ATOM 0 HE2 TYR A 34 -8.724 -3.708 9.172 1.00 0.81 H new ATOM 0 HH TYR A 34 -5.957 -4.270 11.347 1.00 0.87 H new ATOM 587 N ASP A 35 -9.345 1.121 7.985 1.00 1.05 N ATOM 588 CA ASP A 35 -10.592 1.215 8.731 1.00 1.19 C ATOM 589 C ASP A 35 -10.994 -0.100 9.376 1.00 1.20 C ATOM 590 O ASP A 35 -11.846 -0.816 8.852 1.00 1.46 O ATOM 591 CB ASP A 35 -11.723 1.704 7.825 1.00 1.51 C ATOM 592 CG ASP A 35 -11.790 3.211 7.754 1.00 1.63 C ATOM 593 OD1 ASP A 35 -10.808 3.830 7.303 1.00 2.12 O ATOM 594 OD2 ASP A 35 -12.845 3.778 8.108 1.00 1.99 O ATOM 0 H ASP A 35 -9.458 0.876 7.001 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.418 1.934 9.532 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -11.582 1.301 6.822 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -12.673 1.317 8.193 1.00 1.51 H new ATOM 599 N ASP A 36 -10.380 -0.427 10.508 1.00 1.24 N ATOM 600 CA ASP A 36 -10.872 -1.498 11.361 1.00 1.47 C ATOM 601 C ASP A 36 -11.654 -0.897 12.513 1.00 1.69 C ATOM 602 O ASP A 36 -11.192 0.041 13.163 1.00 2.10 O ATOM 603 CB ASP A 36 -9.701 -2.328 11.907 1.00 1.93 C ATOM 604 CG ASP A 36 -10.065 -3.125 13.150 1.00 2.68 C ATOM 605 OD1 ASP A 36 -10.718 -4.183 13.019 1.00 3.47 O ATOM 606 OD2 ASP A 36 -9.706 -2.688 14.268 1.00 2.88 O ATOM 0 H ASP A 36 -9.540 0.036 10.855 1.00 1.24 H new ATOM 0 HA ASP A 36 -11.519 -2.152 10.776 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -9.356 -3.012 11.132 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -8.869 -1.663 12.139 1.00 1.93 H new ATOM 611 N ASN A 37 -12.842 -1.421 12.757 1.00 2.04 N ATOM 612 CA ASN A 37 -13.690 -0.896 13.815 1.00 2.52 C ATOM 613 C ASN A 37 -13.567 -1.736 15.080 1.00 2.87 C ATOM 614 O ASN A 37 -14.536 -1.948 15.809 1.00 3.52 O ATOM 615 CB ASN A 37 -15.145 -0.805 13.349 1.00 3.11 C ATOM 616 CG ASN A 37 -15.351 0.301 12.327 1.00 3.61 C ATOM 617 OD1 ASN A 37 -16.205 0.197 11.447 1.00 4.37 O ATOM 618 ND2 ASN A 37 -14.571 1.372 12.439 1.00 3.58 N ATOM 0 H ASN A 37 -13.241 -2.205 12.241 1.00 2.04 H new ATOM 0 HA ASN A 37 -13.351 0.112 14.053 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -15.447 -1.759 12.916 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -15.790 -0.627 14.209 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -14.669 2.145 11.781 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -13.875 1.420 13.183 1.00 3.58 H new ATOM 625 N GLY A 38 -12.354 -2.200 15.329 1.00 3.05 N ATOM 626 CA GLY A 38 -12.047 -2.875 16.571 1.00 3.84 C ATOM 627 C GLY A 38 -11.188 -1.979 17.428 1.00 3.87 C ATOM 628 O GLY A 38 -11.463 -1.764 18.610 1.00 4.27 O ATOM 0 H GLY A 38 -11.567 -2.120 14.685 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -12.967 -3.128 17.098 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -11.527 -3.812 16.370 1.00 3.84 H new ATOM 632 N LYS A 39 -10.149 -1.450 16.810 1.00 3.58 N ATOM 633 CA LYS A 39 -9.333 -0.412 17.416 1.00 3.65 C ATOM 634 C LYS A 39 -9.345 0.830 16.526 1.00 3.06 C ATOM 635 O LYS A 39 -10.415 1.360 16.216 1.00 3.00 O ATOM 636 CB LYS A 39 -7.901 -0.901 17.676 1.00 3.97 C ATOM 637 CG LYS A 39 -7.750 -1.685 18.974 1.00 4.01 C ATOM 638 CD LYS A 39 -8.262 -3.113 18.858 1.00 4.09 C ATOM 639 CE LYS A 39 -7.204 -4.044 18.286 1.00 4.30 C ATOM 640 NZ LYS A 39 -5.975 -4.059 19.125 1.00 4.81 N ATOM 0 H LYS A 39 -9.846 -1.726 15.876 1.00 3.58 H new ATOM 0 HA LYS A 39 -9.757 -0.155 18.386 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -7.584 -1.529 16.843 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -7.231 -0.041 17.701 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -6.699 -1.702 19.264 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -8.292 -1.172 19.769 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -8.569 -3.471 19.841 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -9.147 -3.132 18.221 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -7.608 -5.054 18.214 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -6.950 -3.729 17.274 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -5.488 -4.971 19.011 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -5.342 -3.289 18.828 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -6.235 -3.928 20.124 1.00 4.81 H new ATOM 654 N THR A 40 -8.176 1.285 16.105 1.00 2.83 N ATOM 655 CA THR A 40 -8.105 2.435 15.217 1.00 2.37 C ATOM 656 C THR A 40 -7.780 1.989 13.796 1.00 1.60 C ATOM 657 O THR A 40 -8.144 2.656 12.825 1.00 2.02 O ATOM 658 CB THR A 40 -7.080 3.496 15.692 1.00 2.76 C ATOM 659 OG1 THR A 40 -7.158 4.662 14.857 1.00 2.97 O ATOM 660 CG2 THR A 40 -5.659 2.955 15.670 1.00 3.08 C ATOM 0 H THR A 40 -7.274 0.882 16.359 1.00 2.83 H new ATOM 0 HA THR A 40 -9.087 2.909 15.235 1.00 2.37 H new ATOM 0 HB THR A 40 -7.329 3.757 16.721 1.00 2.76 H new ATOM 0 HG1 THR A 40 -6.509 5.328 15.164 1.00 2.97 H new ATOM 0 HG21 THR A 40 -4.970 3.728 16.010 1.00 3.08 H new ATOM 0 HG22 THR A 40 -5.588 2.091 16.330 1.00 3.08 H new ATOM 0 HG23 THR A 40 -5.399 2.658 14.654 1.00 3.08 H new ATOM 668 N GLY A 41 -7.091 0.859 13.689 1.00 1.15 N ATOM 669 CA GLY A 41 -6.814 0.276 12.395 1.00 0.83 C ATOM 670 C GLY A 41 -5.376 0.480 11.982 1.00 0.61 C ATOM 671 O GLY A 41 -5.091 1.222 11.048 1.00 0.62 O ATOM 0 H GLY A 41 -6.719 0.336 14.481 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -7.036 -0.791 12.422 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.473 0.720 11.648 1.00 0.83 H new ATOM 675 N ARG A 42 -4.465 -0.183 12.674 1.00 0.52 N ATOM 676 CA ARG A 42 -3.047 -0.048 12.385 1.00 0.51 C ATOM 677 C ARG A 42 -2.475 -1.351 11.857 1.00 0.47 C ATOM 678 O ARG A 42 -2.635 -2.410 12.468 1.00 0.61 O ATOM 679 CB ARG A 42 -2.275 0.401 13.626 1.00 0.76 C ATOM 680 CG ARG A 42 -2.353 1.897 13.881 1.00 1.24 C ATOM 681 CD ARG A 42 -1.636 2.681 12.793 1.00 1.30 C ATOM 682 NE ARG A 42 -1.725 4.124 13.011 1.00 1.86 N ATOM 683 CZ ARG A 42 -0.763 4.990 12.703 1.00 2.34 C ATOM 684 NH1 ARG A 42 0.376 4.569 12.159 1.00 2.55 N ATOM 685 NH2 ARG A 42 -0.948 6.280 12.948 1.00 3.13 N ATOM 0 H ARG A 42 -4.682 -0.820 13.440 1.00 0.52 H new ATOM 0 HA ARG A 42 -2.938 0.716 11.615 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -2.663 -0.128 14.496 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -1.229 0.113 13.517 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -3.397 2.206 13.927 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -1.910 2.127 14.850 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -0.588 2.383 12.761 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -2.067 2.433 11.823 1.00 1.30 H new ATOM 0 HE ARG A 42 -2.581 4.491 13.427 1.00 1.86 H new ATOM 0 HH11 ARG A 42 0.517 3.576 11.975 1.00 2.55 H new ATOM 0 HH12 ARG A 42 1.108 5.240 11.926 1.00 2.55 H new ATOM 0 HH21 ARG A 42 -1.821 6.599 13.368 1.00 3.13 H new ATOM 0 HH22 ARG A 42 -0.217 6.953 12.716 1.00 3.13 H new ATOM 699 N GLY A 43 -1.808 -1.257 10.723 1.00 0.40 N ATOM 700 CA GLY A 43 -1.172 -2.408 10.126 1.00 0.43 C ATOM 701 C GLY A 43 0.200 -2.052 9.613 1.00 0.38 C ATOM 702 O GLY A 43 0.461 -0.887 9.306 1.00 0.39 O ATOM 0 H GLY A 43 -1.694 -0.390 10.197 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.094 -3.209 10.861 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.785 -2.785 9.308 1.00 0.43 H new ATOM 706 N ALA A 44 1.081 -3.032 9.523 1.00 0.38 N ATOM 707 CA ALA A 44 2.437 -2.780 9.075 1.00 0.39 C ATOM 708 C ALA A 44 2.976 -3.952 8.271 1.00 0.44 C ATOM 709 O ALA A 44 2.601 -5.099 8.507 1.00 0.53 O ATOM 710 CB ALA A 44 3.343 -2.497 10.266 1.00 0.46 C ATOM 0 H ALA A 44 0.882 -4.006 9.753 1.00 0.38 H new ATOM 0 HA ALA A 44 2.420 -1.904 8.426 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.358 -2.310 9.915 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.977 -1.621 10.802 1.00 0.46 H new ATOM 0 HB3 ALA A 44 3.344 -3.357 10.935 1.00 0.46 H new ATOM 716 N VAL A 45 3.836 -3.654 7.310 1.00 0.45 N ATOM 717 CA VAL A 45 4.513 -4.683 6.540 1.00 0.54 C ATOM 718 C VAL A 45 5.996 -4.324 6.388 1.00 0.47 C ATOM 719 O VAL A 45 6.341 -3.166 6.136 1.00 0.49 O ATOM 720 CB VAL A 45 3.850 -4.888 5.159 1.00 0.70 C ATOM 721 CG1 VAL A 45 3.971 -3.646 4.288 1.00 1.21 C ATOM 722 CG2 VAL A 45 4.434 -6.105 4.467 1.00 1.50 C ATOM 0 H VAL A 45 4.082 -2.701 7.044 1.00 0.45 H new ATOM 0 HA VAL A 45 4.429 -5.627 7.079 1.00 0.54 H new ATOM 0 HB VAL A 45 2.786 -5.062 5.320 1.00 0.70 H new ATOM 0 HG11 VAL A 45 3.493 -3.829 3.325 1.00 1.21 H new ATOM 0 HG12 VAL A 45 3.482 -2.806 4.782 1.00 1.21 H new ATOM 0 HG13 VAL A 45 5.024 -3.412 4.132 1.00 1.21 H new ATOM 0 HG21 VAL A 45 3.956 -6.235 3.496 1.00 1.50 H new ATOM 0 HG22 VAL A 45 5.506 -5.965 4.328 1.00 1.50 H new ATOM 0 HG23 VAL A 45 4.260 -6.990 5.079 1.00 1.50 H new ATOM 732 N SER A 46 6.859 -5.313 6.577 1.00 0.51 N ATOM 733 CA SER A 46 8.298 -5.086 6.670 1.00 0.62 C ATOM 734 C SER A 46 9.007 -4.945 5.313 1.00 0.74 C ATOM 735 O SER A 46 9.901 -5.735 5.003 1.00 1.13 O ATOM 736 CB SER A 46 8.932 -6.225 7.470 1.00 0.78 C ATOM 737 OG SER A 46 8.257 -6.414 8.703 1.00 1.26 O ATOM 0 H SER A 46 6.585 -6.291 6.670 1.00 0.51 H new ATOM 0 HA SER A 46 8.429 -4.127 7.172 1.00 0.62 H new ATOM 0 HB2 SER A 46 8.899 -7.146 6.888 1.00 0.78 H new ATOM 0 HB3 SER A 46 9.983 -6.003 7.656 1.00 0.78 H new ATOM 0 HG SER A 46 8.678 -7.148 9.197 1.00 1.26 H new ATOM 743 N GLU A 47 8.570 -3.992 4.482 1.00 0.64 N ATOM 744 CA GLU A 47 9.389 -3.464 3.395 1.00 0.78 C ATOM 745 C GLU A 47 9.194 -4.248 2.098 1.00 0.69 C ATOM 746 O GLU A 47 8.296 -3.944 1.313 1.00 0.81 O ATOM 747 CB GLU A 47 10.874 -3.418 3.774 1.00 1.15 C ATOM 748 CG GLU A 47 11.720 -2.717 2.742 1.00 1.53 C ATOM 749 CD GLU A 47 13.103 -3.325 2.603 1.00 1.83 C ATOM 750 OE1 GLU A 47 13.863 -3.305 3.594 1.00 2.34 O ATOM 751 OE2 GLU A 47 13.436 -3.827 1.509 1.00 2.01 O ATOM 0 H GLU A 47 7.644 -3.570 4.547 1.00 0.64 H new ATOM 0 HA GLU A 47 9.051 -2.442 3.222 1.00 0.78 H new ATOM 0 HB2 GLU A 47 10.984 -2.911 4.732 1.00 1.15 H new ATOM 0 HB3 GLU A 47 11.242 -4.435 3.908 1.00 1.15 H new ATOM 0 HG2 GLU A 47 11.213 -2.754 1.778 1.00 1.53 H new ATOM 0 HG3 GLU A 47 11.816 -1.665 3.011 1.00 1.53 H new ATOM 758 N LYS A 48 10.029 -5.259 1.887 1.00 0.67 N ATOM 759 CA LYS A 48 10.021 -6.023 0.641 1.00 0.76 C ATOM 760 C LYS A 48 8.721 -6.797 0.465 1.00 0.70 C ATOM 761 O LYS A 48 8.379 -7.223 -0.641 1.00 0.83 O ATOM 762 CB LYS A 48 11.216 -6.980 0.606 1.00 0.93 C ATOM 763 CG LYS A 48 11.210 -8.009 1.724 1.00 1.63 C ATOM 764 CD LYS A 48 12.421 -8.925 1.639 1.00 2.06 C ATOM 765 CE LYS A 48 12.364 -10.046 2.665 1.00 2.59 C ATOM 766 NZ LYS A 48 12.346 -9.538 4.063 1.00 3.35 N ATOM 0 H LYS A 48 10.724 -5.571 2.565 1.00 0.67 H new ATOM 0 HA LYS A 48 10.099 -5.317 -0.185 1.00 0.76 H new ATOM 0 HB2 LYS A 48 11.226 -7.499 -0.353 1.00 0.93 H new ATOM 0 HB3 LYS A 48 12.137 -6.399 0.664 1.00 0.93 H new ATOM 0 HG2 LYS A 48 11.203 -7.501 2.688 1.00 1.63 H new ATOM 0 HG3 LYS A 48 10.298 -8.603 1.670 1.00 1.63 H new ATOM 0 HD2 LYS A 48 12.482 -9.353 0.638 1.00 2.06 H new ATOM 0 HD3 LYS A 48 13.328 -8.341 1.791 1.00 2.06 H new ATOM 0 HE2 LYS A 48 11.474 -10.650 2.490 1.00 2.59 H new ATOM 0 HE3 LYS A 48 13.225 -10.701 2.531 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 12.393 -10.339 4.724 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 13.164 -8.915 4.216 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 11.469 -9.004 4.227 1.00 3.35 H new ATOM 780 N ASP A 49 7.991 -6.964 1.554 1.00 0.59 N ATOM 781 CA ASP A 49 6.736 -7.696 1.517 1.00 0.65 C ATOM 782 C ASP A 49 5.548 -6.776 1.278 1.00 0.66 C ATOM 783 O ASP A 49 4.403 -7.187 1.467 1.00 0.72 O ATOM 784 CB ASP A 49 6.527 -8.479 2.816 1.00 0.68 C ATOM 785 CG ASP A 49 7.350 -9.745 2.863 1.00 1.28 C ATOM 786 OD1 ASP A 49 8.502 -9.685 3.336 1.00 2.22 O ATOM 787 OD2 ASP A 49 6.850 -10.803 2.431 1.00 1.27 O ATOM 0 H ASP A 49 8.245 -6.603 2.474 1.00 0.59 H new ATOM 0 HA ASP A 49 6.799 -8.392 0.681 1.00 0.65 H new ATOM 0 HB2 ASP A 49 6.789 -7.847 3.664 1.00 0.68 H new ATOM 0 HB3 ASP A 49 5.472 -8.731 2.920 1.00 0.68 H new ATOM 792 N ALA A 50 5.807 -5.539 0.863 1.00 0.69 N ATOM 793 CA ALA A 50 4.732 -4.623 0.508 1.00 0.72 C ATOM 794 C ALA A 50 4.082 -5.070 -0.798 1.00 0.70 C ATOM 795 O ALA A 50 4.712 -5.049 -1.856 1.00 0.79 O ATOM 796 CB ALA A 50 5.256 -3.199 0.390 1.00 0.87 C ATOM 0 H ALA A 50 6.746 -5.152 0.765 1.00 0.69 H new ATOM 0 HA ALA A 50 3.981 -4.639 1.297 1.00 0.72 H new ATOM 0 HB1 ALA A 50 4.437 -2.531 0.124 1.00 0.87 H new ATOM 0 HB2 ALA A 50 5.683 -2.888 1.344 1.00 0.87 H new ATOM 0 HB3 ALA A 50 6.024 -3.157 -0.382 1.00 0.87 H new ATOM 802 N PRO A 51 2.815 -5.499 -0.734 1.00 0.65 N ATOM 803 CA PRO A 51 2.114 -6.087 -1.868 1.00 0.70 C ATOM 804 C PRO A 51 1.504 -5.052 -2.805 1.00 0.72 C ATOM 805 O PRO A 51 0.856 -4.109 -2.348 1.00 1.01 O ATOM 806 CB PRO A 51 1.005 -6.924 -1.211 1.00 0.72 C ATOM 807 CG PRO A 51 1.103 -6.677 0.266 1.00 0.73 C ATOM 808 CD PRO A 51 1.960 -5.457 0.448 1.00 0.64 C ATOM 0 HA PRO A 51 2.796 -6.660 -2.497 1.00 0.70 H new ATOM 0 HB2 PRO A 51 0.025 -6.634 -1.589 1.00 0.72 H new ATOM 0 HB3 PRO A 51 1.133 -7.983 -1.437 1.00 0.72 H new ATOM 0 HG2 PRO A 51 0.114 -6.522 0.698 1.00 0.73 H new ATOM 0 HG3 PRO A 51 1.542 -7.536 0.773 1.00 0.73 H new ATOM 0 HD2 PRO A 51 1.365 -4.544 0.488 1.00 0.64 H new ATOM 0 HD3 PRO A 51 2.539 -5.500 1.371 1.00 0.64 H new ATOM 816 N LYS A 52 1.772 -5.249 -4.106 1.00 0.61 N ATOM 817 CA LYS A 52 1.160 -4.513 -5.234 1.00 0.70 C ATOM 818 C LYS A 52 0.357 -3.274 -4.814 1.00 0.60 C ATOM 819 O LYS A 52 0.878 -2.162 -4.837 1.00 0.70 O ATOM 820 CB LYS A 52 0.270 -5.471 -6.039 1.00 1.04 C ATOM 821 CG LYS A 52 -0.321 -4.888 -7.320 1.00 1.38 C ATOM 822 CD LYS A 52 0.726 -4.691 -8.412 1.00 2.01 C ATOM 823 CE LYS A 52 1.471 -3.373 -8.266 1.00 2.22 C ATOM 824 NZ LYS A 52 2.419 -3.143 -9.389 1.00 2.97 N ATOM 0 H LYS A 52 2.445 -5.950 -4.417 1.00 0.61 H new ATOM 0 HA LYS A 52 1.982 -4.138 -5.844 1.00 0.70 H new ATOM 0 HB2 LYS A 52 0.855 -6.354 -6.297 1.00 1.04 H new ATOM 0 HB3 LYS A 52 -0.547 -5.805 -5.400 1.00 1.04 H new ATOM 0 HG2 LYS A 52 -1.105 -5.550 -7.688 1.00 1.38 H new ATOM 0 HG3 LYS A 52 -0.792 -3.931 -7.096 1.00 1.38 H new ATOM 0 HD2 LYS A 52 1.439 -5.514 -8.381 1.00 2.01 H new ATOM 0 HD3 LYS A 52 0.241 -4.726 -9.388 1.00 2.01 H new ATOM 0 HE2 LYS A 52 0.754 -2.554 -8.223 1.00 2.22 H new ATOM 0 HE3 LYS A 52 2.018 -3.368 -7.323 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 2.906 -2.235 -9.251 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 3.120 -3.911 -9.415 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 1.895 -3.122 -10.287 1.00 2.97 H new ATOM 838 N GLU A 53 -0.919 -3.495 -4.480 1.00 0.67 N ATOM 839 CA GLU A 53 -1.832 -2.452 -3.988 1.00 0.82 C ATOM 840 C GLU A 53 -1.138 -1.356 -3.173 1.00 0.80 C ATOM 841 O GLU A 53 -1.133 -0.193 -3.577 1.00 1.00 O ATOM 842 CB GLU A 53 -2.937 -3.097 -3.151 1.00 1.09 C ATOM 843 CG GLU A 53 -3.895 -2.104 -2.520 1.00 1.69 C ATOM 844 CD GLU A 53 -4.979 -2.782 -1.712 1.00 2.07 C ATOM 845 OE1 GLU A 53 -4.636 -3.513 -0.754 1.00 2.77 O ATOM 846 OE2 GLU A 53 -6.168 -2.587 -2.032 1.00 2.33 O ATOM 0 H GLU A 53 -1.355 -4.415 -4.544 1.00 0.67 H new ATOM 0 HA GLU A 53 -2.247 -1.961 -4.868 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -3.504 -3.782 -3.782 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -2.479 -3.695 -2.363 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -3.337 -1.424 -1.876 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -4.353 -1.498 -3.302 1.00 1.69 H new ATOM 853 N LEU A 54 -0.528 -1.720 -2.053 1.00 0.69 N ATOM 854 CA LEU A 54 0.039 -0.727 -1.148 1.00 0.74 C ATOM 855 C LEU A 54 1.439 -0.341 -1.594 1.00 0.78 C ATOM 856 O LEU A 54 1.927 0.744 -1.273 1.00 1.15 O ATOM 857 CB LEU A 54 0.046 -1.259 0.289 1.00 0.78 C ATOM 858 CG LEU A 54 0.621 -0.319 1.351 1.00 0.83 C ATOM 859 CD1 LEU A 54 -0.168 -0.440 2.643 1.00 1.34 C ATOM 860 CD2 LEU A 54 2.087 -0.635 1.609 1.00 1.82 C ATOM 0 H LEU A 54 -0.413 -2.687 -1.750 1.00 0.69 H new ATOM 0 HA LEU A 54 -0.582 0.168 -1.175 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -0.978 -1.507 0.568 1.00 0.78 H new ATOM 0 HB3 LEU A 54 0.616 -2.188 0.308 1.00 0.78 H new ATOM 0 HG LEU A 54 0.544 0.703 0.981 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.251 0.234 3.390 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -1.209 -0.175 2.460 1.00 1.34 H new ATOM 0 HD13 LEU A 54 -0.113 -1.466 3.008 1.00 1.34 H new ATOM 0 HD21 LEU A 54 2.478 0.044 2.367 1.00 1.82 H new ATOM 0 HD22 LEU A 54 2.181 -1.663 1.959 1.00 1.82 H new ATOM 0 HD23 LEU A 54 2.653 -0.513 0.686 1.00 1.82 H new ATOM 872 N LEU A 55 2.066 -1.209 -2.366 1.00 0.63 N ATOM 873 CA LEU A 55 3.372 -0.901 -2.920 1.00 0.65 C ATOM 874 C LEU A 55 3.236 0.236 -3.922 1.00 0.66 C ATOM 875 O LEU A 55 4.077 1.134 -3.974 1.00 0.76 O ATOM 876 CB LEU A 55 3.981 -2.138 -3.588 1.00 0.68 C ATOM 877 CG LEU A 55 5.400 -1.951 -4.138 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.362 -1.572 -3.022 1.00 1.18 C ATOM 879 CD2 LEU A 55 5.870 -3.217 -4.838 1.00 1.87 C ATOM 0 H LEU A 55 1.697 -2.125 -2.622 1.00 0.63 H new ATOM 0 HA LEU A 55 4.040 -0.594 -2.115 1.00 0.65 H new ATOM 0 HB2 LEU A 55 3.994 -2.953 -2.864 1.00 0.68 H new ATOM 0 HB3 LEU A 55 3.330 -2.448 -4.405 1.00 0.68 H new ATOM 0 HG LEU A 55 5.382 -1.139 -4.865 1.00 0.99 H new ATOM 0 HD11 LEU A 55 7.363 -1.444 -3.433 1.00 1.18 H new ATOM 0 HD12 LEU A 55 6.036 -0.639 -2.562 1.00 1.18 H new ATOM 0 HD13 LEU A 55 6.376 -2.361 -2.270 1.00 1.18 H new ATOM 0 HD21 LEU A 55 6.879 -3.067 -5.222 1.00 1.87 H new ATOM 0 HD22 LEU A 55 5.871 -4.045 -4.130 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.197 -3.447 -5.664 1.00 1.87 H new ATOM 891 N ASP A 56 2.159 0.219 -4.702 1.00 0.64 N ATOM 892 CA ASP A 56 1.829 1.315 -5.601 1.00 0.69 C ATOM 893 C ASP A 56 1.281 2.525 -4.835 1.00 0.76 C ATOM 894 O ASP A 56 1.426 3.665 -5.270 1.00 0.90 O ATOM 895 CB ASP A 56 0.804 0.817 -6.628 1.00 0.79 C ATOM 896 CG ASP A 56 0.178 1.926 -7.447 1.00 1.12 C ATOM 897 OD1 ASP A 56 0.812 2.394 -8.411 1.00 1.33 O ATOM 898 OD2 ASP A 56 -0.965 2.324 -7.136 1.00 1.59 O ATOM 0 H ASP A 56 1.494 -0.554 -4.727 1.00 0.64 H new ATOM 0 HA ASP A 56 2.736 1.643 -6.109 1.00 0.69 H new ATOM 0 HB2 ASP A 56 1.290 0.110 -7.300 1.00 0.79 H new ATOM 0 HB3 ASP A 56 0.016 0.272 -6.108 1.00 0.79 H new ATOM 903 N MET A 57 0.683 2.277 -3.675 1.00 0.75 N ATOM 904 CA MET A 57 0.088 3.353 -2.880 1.00 0.87 C ATOM 905 C MET A 57 1.167 4.227 -2.254 1.00 0.95 C ATOM 906 O MET A 57 0.950 5.410 -1.999 1.00 1.44 O ATOM 907 CB MET A 57 -0.823 2.794 -1.784 1.00 0.97 C ATOM 908 CG MET A 57 -2.192 2.328 -2.268 1.00 1.08 C ATOM 909 SD MET A 57 -3.296 3.683 -2.728 1.00 1.54 S ATOM 910 CE MET A 57 -2.678 4.130 -4.350 1.00 2.05 C ATOM 0 H MET A 57 0.596 1.348 -3.263 1.00 0.75 H new ATOM 0 HA MET A 57 -0.513 3.962 -3.555 1.00 0.87 H new ATOM 0 HB2 MET A 57 -0.318 1.956 -1.304 1.00 0.97 H new ATOM 0 HB3 MET A 57 -0.964 3.560 -1.022 1.00 0.97 H new ATOM 0 HG2 MET A 57 -2.060 1.670 -3.127 1.00 1.08 H new ATOM 0 HG3 MET A 57 -2.664 1.736 -1.483 1.00 1.08 H new ATOM 0 HE1 MET A 57 -3.516 4.281 -5.030 1.00 2.05 H new ATOM 0 HE2 MET A 57 -2.099 5.051 -4.278 1.00 2.05 H new ATOM 0 HE3 MET A 57 -2.042 3.331 -4.730 1.00 2.05 H new ATOM 920 N LEU A 58 2.337 3.646 -2.026 1.00 0.84 N ATOM 921 CA LEU A 58 3.453 4.377 -1.439 1.00 0.89 C ATOM 922 C LEU A 58 4.123 5.271 -2.475 1.00 0.97 C ATOM 923 O LEU A 58 4.900 6.163 -2.133 1.00 1.36 O ATOM 924 CB LEU A 58 4.478 3.406 -0.857 1.00 0.97 C ATOM 925 CG LEU A 58 4.058 2.713 0.436 1.00 0.87 C ATOM 926 CD1 LEU A 58 5.060 1.634 0.800 1.00 1.63 C ATOM 927 CD2 LEU A 58 3.931 3.725 1.566 1.00 1.59 C ATOM 0 H LEU A 58 2.539 2.669 -2.239 1.00 0.84 H new ATOM 0 HA LEU A 58 3.060 5.005 -0.639 1.00 0.89 H new ATOM 0 HB2 LEU A 58 4.697 2.643 -1.604 1.00 0.97 H new ATOM 0 HB3 LEU A 58 5.406 3.949 -0.674 1.00 0.97 H new ATOM 0 HG LEU A 58 3.085 2.248 0.282 1.00 0.87 H new ATOM 0 HD11 LEU A 58 4.750 1.146 1.724 1.00 1.63 H new ATOM 0 HD12 LEU A 58 5.108 0.896 -0.001 1.00 1.63 H new ATOM 0 HD13 LEU A 58 6.044 2.083 0.939 1.00 1.63 H new ATOM 0 HD21 LEU A 58 3.631 3.213 2.480 1.00 1.59 H new ATOM 0 HD22 LEU A 58 4.891 4.217 1.724 1.00 1.59 H new ATOM 0 HD23 LEU A 58 3.180 4.471 1.304 1.00 1.59 H new ATOM 939 N ALA A 59 3.798 5.043 -3.740 1.00 0.84 N ATOM 940 CA ALA A 59 4.420 5.783 -4.827 1.00 0.93 C ATOM 941 C ALA A 59 4.093 7.267 -4.743 1.00 0.99 C ATOM 942 O ALA A 59 4.957 8.101 -4.981 1.00 1.11 O ATOM 943 CB ALA A 59 3.992 5.221 -6.173 1.00 1.07 C ATOM 0 H ALA A 59 3.109 4.353 -4.038 1.00 0.84 H new ATOM 0 HA ALA A 59 5.500 5.670 -4.730 1.00 0.93 H new ATOM 0 HB1 ALA A 59 4.468 5.789 -6.972 1.00 1.07 H new ATOM 0 HB2 ALA A 59 4.291 4.175 -6.242 1.00 1.07 H new ATOM 0 HB3 ALA A 59 2.909 5.296 -6.271 1.00 1.07 H new ATOM 949 N ARG A 60 2.859 7.590 -4.363 1.00 1.13 N ATOM 950 CA ARG A 60 2.434 8.988 -4.259 1.00 1.40 C ATOM 951 C ARG A 60 3.066 9.657 -3.048 1.00 1.53 C ATOM 952 O ARG A 60 3.244 10.872 -3.020 1.00 1.94 O ATOM 953 CB ARG A 60 0.908 9.105 -4.145 1.00 1.59 C ATOM 954 CG ARG A 60 0.143 8.881 -5.443 1.00 1.74 C ATOM 955 CD ARG A 60 0.199 7.432 -5.894 1.00 1.93 C ATOM 956 NE ARG A 60 -0.660 7.184 -7.048 1.00 2.28 N ATOM 957 CZ ARG A 60 -0.963 5.968 -7.497 1.00 2.83 C ATOM 958 NH1 ARG A 60 -0.433 4.902 -6.924 1.00 3.12 N ATOM 959 NH2 ARG A 60 -1.792 5.821 -8.522 1.00 3.60 N ATOM 0 H ARG A 60 2.138 6.909 -4.123 1.00 1.13 H new ATOM 0 HA ARG A 60 2.763 9.488 -5.170 1.00 1.40 H new ATOM 0 HB2 ARG A 60 0.558 8.384 -3.406 1.00 1.59 H new ATOM 0 HB3 ARG A 60 0.663 10.096 -3.764 1.00 1.59 H new ATOM 0 HG2 ARG A 60 -0.897 9.178 -5.307 1.00 1.74 H new ATOM 0 HG3 ARG A 60 0.558 9.520 -6.223 1.00 1.74 H new ATOM 0 HD2 ARG A 60 1.227 7.170 -6.144 1.00 1.93 H new ATOM 0 HD3 ARG A 60 -0.104 6.784 -5.071 1.00 1.93 H new ATOM 0 HE ARG A 60 -1.050 7.989 -7.538 1.00 2.28 H new ATOM 0 HH11 ARG A 60 0.208 5.011 -6.138 1.00 3.12 H new ATOM 0 HH12 ARG A 60 -0.665 3.970 -7.268 1.00 3.12 H new ATOM 0 HH21 ARG A 60 -2.200 6.642 -8.970 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -2.021 4.887 -8.863 1.00 3.60 H new ATOM 973 N ALA A 61 3.417 8.857 -2.056 1.00 1.52 N ATOM 974 CA ALA A 61 3.952 9.383 -0.814 1.00 1.79 C ATOM 975 C ALA A 61 5.441 9.681 -0.936 1.00 1.71 C ATOM 976 O ALA A 61 5.910 10.733 -0.501 1.00 2.10 O ATOM 977 CB ALA A 61 3.702 8.405 0.322 1.00 1.95 C ATOM 0 H ALA A 61 3.341 7.840 -2.087 1.00 1.52 H new ATOM 0 HA ALA A 61 3.439 10.320 -0.596 1.00 1.79 H new ATOM 0 HB1 ALA A 61 4.108 8.812 1.248 1.00 1.95 H new ATOM 0 HB2 ALA A 61 2.630 8.245 0.435 1.00 1.95 H new ATOM 0 HB3 ALA A 61 4.189 7.456 0.098 1.00 1.95 H new ATOM 983 N GLU A 62 6.177 8.762 -1.546 1.00 1.51 N ATOM 984 CA GLU A 62 7.626 8.882 -1.623 1.00 1.64 C ATOM 985 C GLU A 62 8.069 9.864 -2.712 1.00 1.93 C ATOM 986 O GLU A 62 9.118 10.494 -2.588 1.00 2.42 O ATOM 987 CB GLU A 62 8.268 7.509 -1.837 1.00 1.89 C ATOM 988 CG GLU A 62 7.897 6.500 -0.760 1.00 2.14 C ATOM 989 CD GLU A 62 8.905 5.371 -0.629 1.00 2.57 C ATOM 990 OE1 GLU A 62 9.303 4.802 -1.668 1.00 2.98 O ATOM 991 OE2 GLU A 62 9.282 5.021 0.509 1.00 2.91 O ATOM 0 H GLU A 62 5.796 7.928 -1.993 1.00 1.51 H new ATOM 0 HA GLU A 62 7.968 9.286 -0.670 1.00 1.64 H new ATOM 0 HB2 GLU A 62 7.965 7.121 -2.809 1.00 1.89 H new ATOM 0 HB3 GLU A 62 9.352 7.622 -1.862 1.00 1.89 H new ATOM 0 HG2 GLU A 62 7.810 7.014 0.197 1.00 2.14 H new ATOM 0 HG3 GLU A 62 6.917 6.080 -0.986 1.00 2.14 H new ATOM 998 N ARG A 63 7.250 10.025 -3.751 1.00 2.16 N ATOM 999 CA ARG A 63 7.617 10.901 -4.877 1.00 2.69 C ATOM 1000 C ARG A 63 7.460 12.383 -4.529 1.00 2.85 C ATOM 1001 O ARG A 63 7.535 13.245 -5.402 1.00 3.26 O ATOM 1002 CB ARG A 63 6.834 10.562 -6.153 1.00 3.11 C ATOM 1003 CG ARG A 63 5.337 10.807 -6.078 1.00 3.13 C ATOM 1004 CD ARG A 63 4.662 10.358 -7.365 1.00 3.11 C ATOM 1005 NE ARG A 63 5.111 9.022 -7.769 1.00 2.92 N ATOM 1006 CZ ARG A 63 4.705 8.392 -8.872 1.00 3.14 C ATOM 1007 NH1 ARG A 63 3.796 8.940 -9.664 1.00 3.60 N ATOM 1008 NH2 ARG A 63 5.212 7.205 -9.186 1.00 3.44 N ATOM 0 H ARG A 63 6.341 9.571 -3.842 1.00 2.16 H new ATOM 0 HA ARG A 63 8.673 10.714 -5.074 1.00 2.69 H new ATOM 0 HB2 ARG A 63 7.241 11.149 -6.976 1.00 3.11 H new ATOM 0 HB3 ARG A 63 7.002 9.513 -6.395 1.00 3.11 H new ATOM 0 HG2 ARG A 63 4.915 10.266 -5.231 1.00 3.13 H new ATOM 0 HG3 ARG A 63 5.143 11.866 -5.908 1.00 3.13 H new ATOM 0 HD2 ARG A 63 3.581 10.354 -7.228 1.00 3.11 H new ATOM 0 HD3 ARG A 63 4.879 11.072 -8.159 1.00 3.11 H new ATOM 0 HE ARG A 63 5.779 8.542 -7.166 1.00 2.92 H new ATOM 0 HH11 ARG A 63 3.401 9.851 -9.432 1.00 3.60 H new ATOM 0 HH12 ARG A 63 3.491 8.451 -10.506 1.00 3.60 H new ATOM 0 HH21 ARG A 63 5.913 6.774 -8.583 1.00 3.44 H new ATOM 0 HH22 ARG A 63 4.900 6.724 -10.030 1.00 3.44 H new ATOM 1022 N GLU A 64 7.280 12.663 -3.245 1.00 2.76 N ATOM 1023 CA GLU A 64 7.302 14.019 -2.708 1.00 3.00 C ATOM 1024 C GLU A 64 7.615 13.943 -1.227 1.00 3.08 C ATOM 1025 O GLU A 64 6.905 14.495 -0.383 1.00 3.72 O ATOM 1026 CB GLU A 64 5.984 14.771 -2.935 1.00 2.97 C ATOM 1027 CG GLU A 64 5.898 15.434 -4.297 1.00 3.43 C ATOM 1028 CD GLU A 64 4.808 16.476 -4.377 1.00 3.74 C ATOM 1029 OE1 GLU A 64 3.624 16.098 -4.449 1.00 4.00 O ATOM 1030 OE2 GLU A 64 5.135 17.681 -4.395 1.00 4.07 O ATOM 0 H GLU A 64 7.113 11.947 -2.538 1.00 2.76 H new ATOM 0 HA GLU A 64 8.070 14.582 -3.238 1.00 3.00 H new ATOM 0 HB2 GLU A 64 5.153 14.075 -2.825 1.00 2.97 H new ATOM 0 HB3 GLU A 64 5.869 15.530 -2.161 1.00 2.97 H new ATOM 0 HG2 GLU A 64 6.856 15.899 -4.530 1.00 3.43 H new ATOM 0 HG3 GLU A 64 5.721 14.672 -5.056 1.00 3.43 H new ATOM 1037 N LYS A 65 8.692 13.232 -0.938 1.00 2.73 N ATOM 1038 CA LYS A 65 9.163 13.024 0.418 1.00 2.95 C ATOM 1039 C LYS A 65 10.651 12.706 0.361 1.00 2.86 C ATOM 1040 O LYS A 65 11.480 13.416 0.924 1.00 3.37 O ATOM 1041 CB LYS A 65 8.389 11.870 1.061 1.00 3.11 C ATOM 1042 CG LYS A 65 8.738 11.611 2.517 1.00 3.54 C ATOM 1043 CD LYS A 65 7.969 10.416 3.057 1.00 3.77 C ATOM 1044 CE LYS A 65 6.466 10.635 2.984 1.00 3.79 C ATOM 1045 NZ LYS A 65 6.006 11.676 3.941 1.00 4.11 N ATOM 0 H LYS A 65 9.269 12.779 -1.647 1.00 2.73 H new ATOM 0 HA LYS A 65 9.003 13.918 1.021 1.00 2.95 H new ATOM 0 HB2 LYS A 65 7.322 12.080 0.988 1.00 3.11 H new ATOM 0 HB3 LYS A 65 8.575 10.961 0.489 1.00 3.11 H new ATOM 0 HG2 LYS A 65 9.809 11.432 2.612 1.00 3.54 H new ATOM 0 HG3 LYS A 65 8.509 12.495 3.112 1.00 3.54 H new ATOM 0 HD2 LYS A 65 8.235 9.525 2.488 1.00 3.77 H new ATOM 0 HD3 LYS A 65 8.260 10.233 4.091 1.00 3.77 H new ATOM 0 HE2 LYS A 65 6.191 10.928 1.971 1.00 3.79 H new ATOM 0 HE3 LYS A 65 5.953 9.697 3.195 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 4.968 11.734 3.919 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 6.319 11.427 4.901 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 6.410 12.596 3.673 1.00 4.11 H new ATOM 1059 N LYS A 66 10.970 11.626 -0.334 1.00 2.75 N ATOM 1060 CA LYS A 66 12.348 11.262 -0.620 1.00 2.95 C ATOM 1061 C LYS A 66 12.693 11.630 -2.058 1.00 3.53 C ATOM 1062 O LYS A 66 13.333 12.680 -2.263 1.00 3.96 O ATOM 1063 CB LYS A 66 12.561 9.765 -0.369 1.00 2.95 C ATOM 1064 CG LYS A 66 11.334 8.929 -0.694 1.00 3.03 C ATOM 1065 CD LYS A 66 11.522 7.459 -0.359 1.00 3.31 C ATOM 1066 CE LYS A 66 12.261 6.715 -1.458 1.00 3.21 C ATOM 1067 NZ LYS A 66 12.063 5.246 -1.342 1.00 3.29 N ATOM 1068 OXT LYS A 66 12.292 10.894 -2.978 1.00 4.01 O ATOM 0 H LYS A 66 10.281 10.977 -0.715 1.00 2.75 H new ATOM 0 HA LYS A 66 13.012 11.815 0.045 1.00 2.95 H new ATOM 0 HB2 LYS A 66 13.401 9.417 -0.970 1.00 2.95 H new ATOM 0 HB3 LYS A 66 12.832 9.612 0.676 1.00 2.95 H new ATOM 0 HG2 LYS A 66 10.478 9.317 -0.142 1.00 3.03 H new ATOM 0 HG3 LYS A 66 11.101 9.029 -1.754 1.00 3.03 H new ATOM 0 HD2 LYS A 66 12.075 7.368 0.576 1.00 3.31 H new ATOM 0 HD3 LYS A 66 10.548 6.996 -0.199 1.00 3.31 H new ATOM 0 HE2 LYS A 66 11.909 7.056 -2.432 1.00 3.21 H new ATOM 0 HE3 LYS A 66 13.325 6.946 -1.405 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 12.754 4.754 -1.943 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 12.196 4.955 -0.352 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 11.100 5.000 -1.649 1.00 3.29 H new