USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 816 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 30 GLN : amide:sc= -3.62! C(o=-8!,f=-9.8!) USER MOD Set 1.2: A 32 ASN : amide:sc= -1.67 K(o=-8,f=-12!) USER MOD Set 1.3: A 41 GLN : amide:sc= -2.74 K(o=-8,f=-12!) USER MOD Single : A 2 SER OG : rot 35:sc= 0.219 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.61 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.2! X(o=-1.2!,f=-0.85) USER MOD Single : A 58 SER OG : rot 61:sc= 1.21 USER MOD Single : A 62 THR OG1 : rot 68:sc= 0.915 USER MOD Single : A 64 THR OG1 : rot 177:sc= -0.878 USER MOD Single : A 70 MET CE :methyl -173:sc= -0.356 (180deg=-0.774) USER MOD Single : A 74 SER OG : rot 130:sc= -0.434 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 66:sc= 0.945 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.647 -1.559 -0.559 1.00 23.13 N ATOM 19 CA SER A 2 4.332 -2.799 -0.216 1.00 70.22 C ATOM 20 C SER A 2 3.938 -3.920 -1.174 1.00 60.42 C ATOM 21 O SER A 2 3.022 -3.766 -1.984 1.00 33.03 O ATOM 22 CB SER A 2 4.007 -3.206 1.223 1.00 14.01 C ATOM 23 OG SER A 2 4.163 -2.110 2.108 1.00 44.23 O ATOM 0 HA SER A 2 5.405 -2.628 -0.304 1.00 70.22 H new ATOM 0 HB2 SER A 2 2.984 -3.579 1.277 1.00 14.01 H new ATOM 0 HB3 SER A 2 4.661 -4.022 1.530 1.00 14.01 H new ATOM 0 HG SER A 2 3.904 -1.282 1.652 1.00 44.23 H new ATOM 29 N VAL A 3 4.634 -5.048 -1.075 1.00 5.10 N ATOM 30 CA VAL A 3 4.357 -6.195 -1.931 1.00 74.43 C ATOM 31 C VAL A 3 2.865 -6.504 -1.969 1.00 53.33 C ATOM 32 O VAL A 3 2.309 -6.793 -3.028 1.00 14.34 O ATOM 33 CB VAL A 3 5.117 -7.448 -1.453 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.689 -8.668 -2.253 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.619 -7.231 -1.559 1.00 71.40 C ATOM 0 H VAL A 3 5.394 -5.192 -0.410 1.00 5.10 H new ATOM 0 HA VAL A 3 4.697 -5.932 -2.933 1.00 74.43 H new ATOM 0 HB VAL A 3 4.871 -7.625 -0.406 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.236 -9.543 -1.902 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.619 -8.832 -2.122 1.00 62.02 H new ATOM 0 HG13 VAL A 3 4.905 -8.505 -3.309 1.00 62.02 H new ATOM 0 HG21 VAL A 3 7.141 -8.125 -1.218 1.00 71.40 H new ATOM 0 HG22 VAL A 3 6.885 -7.029 -2.597 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.909 -6.383 -0.939 1.00 71.40 H new ATOM 45 N GLU A 4 2.222 -6.440 -0.807 1.00 43.03 N ATOM 46 CA GLU A 4 0.793 -6.714 -0.709 1.00 11.43 C ATOM 47 C GLU A 4 0.018 -5.952 -1.781 1.00 22.33 C ATOM 48 O GLU A 4 -0.963 -6.453 -2.329 1.00 35.51 O ATOM 49 CB GLU A 4 0.273 -6.335 0.678 1.00 73.40 C ATOM 50 CG GLU A 4 0.328 -4.843 0.962 1.00 34.13 C ATOM 51 CD GLU A 4 0.025 -4.513 2.411 1.00 73.21 C ATOM 52 OE1 GLU A 4 -0.840 -3.645 2.654 1.00 60.22 O ATOM 53 OE2 GLU A 4 0.652 -5.122 3.302 1.00 42.52 O1- ATOM 0 H GLU A 4 2.668 -6.201 0.079 1.00 43.03 H new ATOM 0 HA GLU A 4 0.642 -7.782 -0.866 1.00 11.43 H new ATOM 0 HB2 GLU A 4 -0.757 -6.677 0.777 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.858 -6.862 1.432 1.00 73.40 H new ATOM 0 HG2 GLU A 4 1.318 -4.465 0.706 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -0.386 -4.328 0.319 1.00 34.13 H new ATOM 60 N THR A 5 0.467 -4.735 -2.074 1.00 74.04 N ATOM 61 CA THR A 5 -0.184 -3.902 -3.077 1.00 61.14 C ATOM 62 C THR A 5 0.274 -4.275 -4.483 1.00 11.11 C ATOM 63 O THR A 5 -0.496 -4.190 -5.440 1.00 53.10 O ATOM 64 CB THR A 5 0.101 -2.407 -2.837 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.490 -1.988 -1.602 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.444 -1.562 -3.979 1.00 71.31 C ATOM 0 H THR A 5 1.279 -4.305 -1.631 1.00 74.04 H new ATOM 0 HA THR A 5 -1.256 -4.079 -2.987 1.00 61.14 H new ATOM 0 HB THR A 5 1.181 -2.269 -2.788 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.303 -1.037 -1.456 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.231 -0.510 -3.787 1.00 71.31 H new ATOM 0 HG22 THR A 5 0.030 -1.864 -4.913 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.522 -1.706 -4.056 1.00 71.31 H new ATOM 74 N ILE A 6 1.532 -4.689 -4.600 1.00 14.44 N ATOM 75 CA ILE A 6 2.091 -5.077 -5.889 1.00 13.03 C ATOM 76 C ILE A 6 1.451 -6.363 -6.400 1.00 73.35 C ATOM 77 O ILE A 6 0.922 -6.406 -7.512 1.00 33.51 O ATOM 78 CB ILE A 6 3.615 -5.274 -5.805 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.246 -4.180 -4.941 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.227 -5.274 -7.198 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.805 -2.783 -5.317 1.00 64.21 C ATOM 0 H ILE A 6 2.183 -4.764 -3.818 1.00 14.44 H new ATOM 0 HA ILE A 6 1.876 -4.265 -6.584 1.00 13.03 H new ATOM 0 HB ILE A 6 3.816 -6.239 -5.341 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.994 -4.363 -3.896 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.331 -4.244 -5.023 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.305 -5.414 -7.122 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.796 -6.085 -7.785 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.019 -4.322 -7.687 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.292 -2.059 -4.663 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.081 -2.580 -6.352 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.724 -2.701 -5.207 1.00 64.21 H new ATOM 93 N ILE A 7 1.501 -7.409 -5.582 1.00 51.41 N ATOM 94 CA ILE A 7 0.923 -8.696 -5.951 1.00 0.02 C ATOM 95 C ILE A 7 -0.585 -8.586 -6.143 1.00 53.31 C ATOM 96 O ILE A 7 -1.156 -9.228 -7.024 1.00 54.10 O ATOM 97 CB ILE A 7 1.217 -9.770 -4.887 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.710 -10.106 -4.869 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.390 -11.019 -5.154 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.205 -10.724 -6.157 1.00 52.51 C ATOM 0 H ILE A 7 1.936 -7.391 -4.659 1.00 51.41 H new ATOM 0 HA ILE A 7 1.386 -8.992 -6.892 1.00 0.02 H new ATOM 0 HB ILE A 7 0.941 -9.377 -3.908 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.277 -9.196 -4.671 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.910 -10.792 -4.046 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.608 -11.769 -4.394 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.670 -10.767 -5.121 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.638 -11.416 -6.138 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.271 -10.936 -6.073 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.665 -11.651 -6.347 1.00 52.51 H new ATOM 0 HD13 ILE A 7 3.037 -10.031 -6.981 1.00 52.51 H new ATOM 112 N GLU A 8 -1.225 -7.766 -5.314 1.00 35.43 N ATOM 113 CA GLU A 8 -2.667 -7.573 -5.395 1.00 71.25 C ATOM 114 C GLU A 8 -3.090 -7.221 -6.818 1.00 71.52 C ATOM 115 O GLU A 8 -4.123 -7.683 -7.303 1.00 32.54 O ATOM 116 CB GLU A 8 -3.111 -6.469 -4.432 1.00 71.25 C ATOM 117 CG GLU A 8 -3.692 -6.996 -3.130 1.00 15.12 C ATOM 118 CD GLU A 8 -5.169 -7.319 -3.240 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.787 -7.626 -2.199 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.707 -7.266 -4.365 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.767 -7.226 -4.580 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.149 -8.509 -5.112 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.257 -5.830 -4.207 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -3.855 -5.845 -4.926 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.149 -7.892 -2.831 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.543 -6.256 -2.344 1.00 15.12 H new ATOM 127 N ARG A 9 -2.285 -6.398 -7.482 1.00 14.15 N ATOM 128 CA ARG A 9 -2.575 -5.982 -8.849 1.00 33.34 C ATOM 129 C ARG A 9 -2.326 -7.123 -9.830 1.00 22.34 C ATOM 130 O ARG A 9 -3.011 -7.242 -10.846 1.00 52.23 O ATOM 131 CB ARG A 9 -1.720 -4.771 -9.229 1.00 41.22 C ATOM 132 CG ARG A 9 -2.526 -3.596 -9.756 1.00 63.41 C ATOM 133 CD ARG A 9 -2.684 -2.512 -8.701 1.00 44.44 C ATOM 134 NE ARG A 9 -3.011 -1.217 -9.293 1.00 1.20 N ATOM 135 CZ ARG A 9 -2.978 -0.073 -8.619 1.00 43.43 C ATOM 136 NH1 ARG A 9 -2.634 -0.063 -7.339 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -3.288 1.066 -9.227 1.00 51.24 N ATOM 0 H ARG A 9 -1.426 -6.006 -7.095 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.628 -5.705 -8.902 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.153 -4.449 -8.355 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -0.995 -5.072 -9.986 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.034 -3.181 -10.635 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.509 -3.941 -10.075 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -3.468 -2.799 -8.001 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -1.761 -2.426 -8.128 1.00 44.44 H new ATOM 0 HE ARG A 9 -3.279 -1.190 -10.277 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -2.394 -0.936 -6.869 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -2.610 0.817 -6.824 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -3.552 1.063 -10.212 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -3.262 1.944 -8.709 1.00 51.24 H new ATOM 151 N ILE A 10 -1.340 -7.959 -9.519 1.00 40.41 N ATOM 152 CA ILE A 10 -1.001 -9.091 -10.373 1.00 14.34 C ATOM 153 C ILE A 10 -2.129 -10.117 -10.398 1.00 62.03 C ATOM 154 O ILE A 10 -2.656 -10.451 -11.459 1.00 74.00 O ATOM 155 CB ILE A 10 0.294 -9.779 -9.905 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.502 -8.881 -10.176 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.460 -11.123 -10.600 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.674 -9.151 -9.259 1.00 13.02 C ATOM 0 H ILE A 10 -0.763 -7.874 -8.683 1.00 40.41 H new ATOM 0 HA ILE A 10 -0.850 -8.696 -11.378 1.00 14.34 H new ATOM 0 HB ILE A 10 0.228 -9.952 -8.831 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.821 -9.017 -11.209 1.00 24.51 H new ATOM 0 HG13 ILE A 10 1.201 -7.839 -10.070 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.380 -11.598 -10.259 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.389 -11.764 -10.361 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.508 -10.972 -11.678 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.494 -8.478 -9.509 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.372 -8.987 -8.225 1.00 13.02 H new ATOM 0 HD13 ILE A 10 3.002 -10.183 -9.382 1.00 13.02 H new ATOM 170 N LYS A 11 -2.496 -10.614 -9.222 1.00 61.13 N ATOM 171 CA LYS A 11 -3.564 -11.600 -9.107 1.00 50.23 C ATOM 172 C LYS A 11 -4.812 -11.141 -9.853 1.00 62.52 C ATOM 173 O LYS A 11 -5.414 -11.906 -10.606 1.00 43.22 O ATOM 174 CB LYS A 11 -3.900 -11.849 -7.635 1.00 4.34 C ATOM 175 CG LYS A 11 -4.184 -10.578 -6.853 1.00 75.22 C ATOM 176 CD LYS A 11 -4.327 -10.860 -5.366 1.00 21.30 C ATOM 177 CE LYS A 11 -3.015 -11.338 -4.762 1.00 45.52 C ATOM 178 NZ LYS A 11 -3.177 -12.627 -4.034 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.069 -10.350 -8.334 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.215 -12.530 -9.556 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.769 -12.504 -7.575 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.070 -12.377 -7.166 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.377 -9.863 -7.013 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -5.098 -10.116 -7.227 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -4.657 -9.957 -4.853 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -5.097 -11.615 -5.210 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -2.274 -11.458 -5.552 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -2.632 -10.580 -4.078 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -2.261 -12.919 -3.637 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -3.865 -12.507 -3.264 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -3.518 -13.357 -4.692 1.00 13.21 H new ATOM 192 N ALA A 12 -5.195 -9.885 -9.642 1.00 55.14 N ATOM 193 CA ALA A 12 -6.368 -9.323 -10.298 1.00 34.34 C ATOM 194 C ALA A 12 -6.273 -9.469 -11.813 1.00 55.24 C ATOM 195 O ALA A 12 -7.253 -9.813 -12.476 1.00 10.40 O ATOM 196 CB ALA A 12 -6.536 -7.860 -9.916 1.00 45.33 C ATOM 0 H ALA A 12 -4.709 -9.238 -9.021 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.243 -9.878 -9.960 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.416 -7.453 -10.413 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.659 -7.778 -8.836 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.653 -7.300 -10.224 1.00 45.33 H new ATOM 202 N ARG A 13 -5.089 -9.205 -12.355 1.00 1.42 N ATOM 203 CA ARG A 13 -4.867 -9.305 -13.793 1.00 42.34 C ATOM 204 C ARG A 13 -4.833 -10.765 -14.237 1.00 75.41 C ATOM 205 O ARG A 13 -5.403 -11.124 -15.268 1.00 71.34 O ATOM 206 CB ARG A 13 -3.558 -8.612 -14.178 1.00 55.21 C ATOM 207 CG ARG A 13 -3.313 -8.566 -15.678 1.00 12.20 C ATOM 208 CD ARG A 13 -4.430 -7.832 -16.402 1.00 25.52 C ATOM 209 NE ARG A 13 -4.070 -7.508 -17.780 1.00 14.11 N ATOM 210 CZ ARG A 13 -4.844 -6.803 -18.597 1.00 35.11 C ATOM 211 NH1 ARG A 13 -6.016 -6.349 -18.176 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -4.445 -6.550 -19.837 1.00 54.31 N ATOM 0 H ARG A 13 -4.268 -8.920 -11.820 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.695 -8.808 -14.299 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.567 -7.594 -13.788 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.727 -9.130 -13.698 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.362 -8.072 -15.878 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.232 -9.581 -16.066 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -5.330 -8.447 -16.398 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -4.668 -6.914 -15.864 1.00 25.52 H new ATOM 0 HE ARG A 13 -3.174 -7.842 -18.135 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -6.325 -6.541 -17.223 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -6.609 -5.808 -18.805 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -3.543 -6.897 -20.163 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -5.040 -6.008 -20.464 1.00 54.31 H new ATOM 226 N VAL A 14 -4.161 -11.601 -13.453 1.00 22.42 N ATOM 227 CA VAL A 14 -4.053 -13.021 -13.764 1.00 65.13 C ATOM 228 C VAL A 14 -5.425 -13.631 -14.032 1.00 11.41 C ATOM 229 O VAL A 14 -5.625 -14.320 -15.032 1.00 11.41 O ATOM 230 CB VAL A 14 -3.373 -13.797 -12.620 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.139 -15.245 -13.023 1.00 11.02 C ATOM 232 CG2 VAL A 14 -2.065 -13.127 -12.227 1.00 61.14 C ATOM 0 H VAL A 14 -3.683 -11.319 -12.597 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.440 -13.102 -14.662 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.035 -13.788 -11.754 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.658 -15.778 -12.203 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.094 -15.718 -13.252 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.497 -15.278 -13.903 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.598 -13.688 -11.418 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.395 -13.104 -13.087 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.264 -12.108 -11.895 1.00 61.14 H new ATOM 242 N GLY A 15 -6.367 -13.372 -13.132 1.00 21.44 N ATOM 243 CA GLY A 15 -7.710 -13.902 -13.289 1.00 52.30 C ATOM 244 C GLY A 15 -8.588 -13.013 -14.146 1.00 73.25 C ATOM 245 O GLY A 15 -9.797 -13.224 -14.236 1.00 42.21 O ATOM 0 H GLY A 15 -6.225 -12.805 -12.296 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.656 -14.894 -13.737 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.167 -14.021 -12.307 1.00 52.30 H new ATOM 249 N ALA A 16 -7.979 -12.015 -14.778 1.00 11.20 N ATOM 250 CA ALA A 16 -8.714 -11.090 -15.633 1.00 51.25 C ATOM 251 C ALA A 16 -8.326 -11.271 -17.097 1.00 3.23 C ATOM 252 O ALA A 16 -8.891 -10.630 -17.983 1.00 4.14 O ATOM 253 CB ALA A 16 -8.467 -9.655 -15.194 1.00 14.21 C ATOM 0 H ALA A 16 -6.979 -11.826 -14.714 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.777 -11.310 -15.535 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.022 -8.976 -15.841 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -8.799 -9.527 -14.164 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.402 -9.432 -15.262 1.00 14.21 H new ATOM 259 N VAL A 17 -7.360 -12.149 -17.345 1.00 61.40 N ATOM 260 CA VAL A 17 -6.897 -12.415 -18.702 1.00 25.41 C ATOM 261 C VAL A 17 -8.067 -12.719 -19.631 1.00 62.03 C ATOM 262 O VAL A 17 -8.983 -13.460 -19.271 1.00 65.32 O ATOM 263 CB VAL A 17 -5.908 -13.594 -18.737 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.734 -14.104 -20.160 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.569 -13.183 -18.142 1.00 53.34 C ATOM 0 H VAL A 17 -6.882 -12.689 -16.623 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.388 -11.514 -19.045 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.315 -14.405 -18.133 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.031 -14.937 -20.164 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.696 -14.439 -20.547 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.349 -13.302 -20.790 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.882 -14.028 -18.175 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.154 -12.355 -18.717 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.711 -12.871 -17.107 1.00 53.34 H new ATOM 275 N ASP A 18 -8.031 -12.145 -20.828 1.00 53.03 N ATOM 276 CA ASP A 18 -9.087 -12.355 -21.810 1.00 53.12 C ATOM 277 C ASP A 18 -8.627 -13.310 -22.907 1.00 33.02 C ATOM 278 O ASP A 18 -7.474 -13.287 -23.341 1.00 11.13 O ATOM 279 CB ASP A 18 -9.515 -11.022 -22.425 1.00 41.05 C ATOM 280 CG ASP A 18 -10.435 -10.233 -21.512 1.00 3.44 C ATOM 281 OD1 ASP A 18 -10.125 -9.056 -21.231 1.00 41.35 O ATOM 282 OD2 ASP A 18 -11.465 -10.792 -21.082 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.280 -11.530 -21.142 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.940 -12.801 -21.298 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -8.630 -10.426 -22.647 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -10.020 -11.208 -23.373 1.00 41.05 H new ATOM 287 N PRO A 19 -9.546 -14.172 -23.367 1.00 61.33 N ATOM 288 CA PRO A 19 -9.257 -15.151 -24.419 1.00 24.45 C ATOM 289 C PRO A 19 -9.047 -14.497 -25.779 1.00 52.45 C ATOM 290 O PRO A 19 -8.531 -15.120 -26.706 1.00 60.01 O ATOM 291 CB PRO A 19 -10.508 -16.033 -24.436 1.00 44.51 C ATOM 292 CG PRO A 19 -11.592 -15.161 -23.903 1.00 61.04 C ATOM 293 CD PRO A 19 -10.938 -14.256 -22.896 1.00 65.12 C ATOM 0 HA PRO A 19 -8.335 -15.699 -24.223 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.736 -16.377 -25.445 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.375 -16.921 -23.819 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.057 -14.584 -24.702 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.379 -15.756 -23.440 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.413 -13.275 -22.869 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.997 -14.667 -21.888 1.00 65.12 H new ATOM 301 N ASN A 20 -9.452 -13.235 -25.892 1.00 14.21 N ATOM 302 CA ASN A 20 -9.307 -12.495 -27.142 1.00 51.20 C ATOM 303 C ASN A 20 -7.837 -12.223 -27.446 1.00 32.21 C ATOM 304 O ASN A 20 -7.411 -12.280 -28.599 1.00 25.02 O ATOM 305 CB ASN A 20 -10.078 -11.176 -27.068 1.00 64.43 C ATOM 306 CG ASN A 20 -11.356 -11.205 -27.884 1.00 2.35 C ATOM 307 OD1 ASN A 20 -11.520 -10.431 -28.827 1.00 4.13 O ATOM 308 ND2 ASN A 20 -12.267 -12.102 -27.524 1.00 52.44 N ATOM 0 H ASN A 20 -9.882 -12.704 -25.135 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.718 -13.104 -27.947 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -10.320 -10.958 -26.028 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -9.441 -10.366 -27.424 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -13.146 -12.170 -28.036 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.087 -12.723 -26.735 1.00 52.44 H new ATOM 315 N GLY A 21 -7.067 -11.928 -26.403 1.00 50.52 N ATOM 316 CA GLY A 21 -5.654 -11.651 -26.580 1.00 62.51 C ATOM 317 C GLY A 21 -4.801 -12.900 -26.474 1.00 11.23 C ATOM 318 O GLY A 21 -4.549 -13.592 -27.460 1.00 25.24 O ATOM 0 H GLY A 21 -7.397 -11.876 -25.439 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -5.497 -11.189 -27.555 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -5.331 -10.930 -25.829 1.00 62.51 H new ATOM 322 N PRO A 22 -4.339 -13.203 -25.251 1.00 62.45 N ATOM 323 CA PRO A 22 -3.502 -14.377 -24.990 1.00 23.24 C ATOM 324 C PRO A 22 -4.276 -15.684 -25.128 1.00 51.52 C ATOM 325 O PRO A 22 -5.504 -15.682 -25.218 1.00 44.23 O ATOM 326 CB PRO A 22 -3.048 -14.175 -23.542 1.00 44.15 C ATOM 327 CG PRO A 22 -4.105 -13.321 -22.931 1.00 54.42 C ATOM 328 CD PRO A 22 -4.600 -12.423 -24.029 1.00 52.42 C ATOM 0 HA PRO A 22 -2.680 -14.457 -25.702 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.956 -15.127 -23.019 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.072 -13.691 -23.497 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.915 -13.930 -22.530 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.704 -12.738 -22.102 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.660 -12.196 -23.916 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -4.070 -11.471 -24.039 1.00 52.42 H new ATOM 336 N ARG A 23 -3.551 -16.798 -25.145 1.00 3.14 N ATOM 337 CA ARG A 23 -4.170 -18.111 -25.273 1.00 53.14 C ATOM 338 C ARG A 23 -3.825 -18.994 -24.077 1.00 53.31 C ATOM 339 O ARG A 23 -2.916 -18.686 -23.306 1.00 11.32 O ATOM 340 CB ARG A 23 -3.717 -18.788 -26.567 1.00 65.52 C ATOM 341 CG ARG A 23 -4.797 -18.845 -27.636 1.00 43.32 C ATOM 342 CD ARG A 23 -5.427 -17.480 -27.865 1.00 4.23 C ATOM 343 NE ARG A 23 -5.393 -17.092 -29.272 1.00 13.13 N ATOM 344 CZ ARG A 23 -6.124 -17.677 -30.214 1.00 63.53 C ATOM 345 NH1 ARG A 23 -6.942 -18.672 -29.900 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -6.039 -17.267 -31.473 1.00 32.33 N ATOM 0 H ARG A 23 -2.534 -16.817 -25.072 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.251 -17.974 -25.302 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.853 -18.254 -26.963 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.388 -19.802 -26.340 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -4.368 -19.210 -28.569 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -5.567 -19.557 -27.339 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.460 -17.494 -27.518 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -4.901 -16.733 -27.270 1.00 4.23 H new ATOM 0 HE ARG A 23 -4.774 -16.330 -29.547 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.011 -18.990 -28.933 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -7.502 -19.120 -30.625 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -5.411 -16.501 -31.719 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -6.601 -17.717 -32.195 1.00 32.33 H new ATOM 360 N LYS A 24 -4.559 -20.091 -23.928 1.00 71.13 N ATOM 361 CA LYS A 24 -4.331 -21.020 -22.827 1.00 41.04 C ATOM 362 C LYS A 24 -2.950 -21.658 -22.930 1.00 22.22 C ATOM 363 O LYS A 24 -2.739 -22.583 -23.714 1.00 21.24 O ATOM 364 CB LYS A 24 -5.407 -22.108 -22.819 1.00 44.53 C ATOM 365 CG LYS A 24 -6.613 -21.766 -21.960 1.00 62.53 C ATOM 366 CD LYS A 24 -7.873 -22.441 -22.474 1.00 63.55 C ATOM 367 CE LYS A 24 -8.310 -23.576 -21.562 1.00 34.31 C ATOM 368 NZ LYS A 24 -7.335 -24.701 -21.570 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.317 -20.359 -24.556 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.384 -20.458 -21.895 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.739 -22.286 -23.842 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.968 -23.039 -22.460 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.427 -22.075 -20.931 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.757 -20.686 -21.947 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.674 -21.706 -22.552 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.696 -22.827 -23.478 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -8.424 -23.201 -20.545 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -9.287 -23.940 -21.878 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -7.669 -25.455 -20.936 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -7.245 -25.076 -22.536 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -6.408 -24.360 -21.244 1.00 63.14 H new ATOM 382 N VAL A 25 -2.011 -21.159 -22.131 1.00 32.25 N ATOM 383 CA VAL A 25 -0.650 -21.681 -22.130 1.00 72.11 C ATOM 384 C VAL A 25 -0.437 -22.660 -20.981 1.00 51.12 C ATOM 385 O VAL A 25 -1.314 -22.840 -20.135 1.00 43.45 O ATOM 386 CB VAL A 25 0.386 -20.548 -22.024 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.325 -19.650 -23.250 1.00 11.11 C ATOM 388 CG2 VAL A 25 0.167 -19.743 -20.752 1.00 3.14 C ATOM 0 H VAL A 25 -2.169 -20.393 -21.476 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.511 -22.202 -23.077 1.00 72.11 H new ATOM 0 HB VAL A 25 1.380 -20.993 -21.979 1.00 34.14 H new ATOM 0 HG11 VAL A 25 1.065 -18.855 -23.156 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.536 -20.238 -24.143 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.670 -19.212 -23.331 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.908 -18.946 -20.694 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -0.833 -19.308 -20.764 1.00 3.14 H new ATOM 0 HG23 VAL A 25 0.268 -20.397 -19.886 1.00 3.14 H new ATOM 398 N LEU A 26 0.732 -23.289 -20.955 1.00 52.13 N ATOM 399 CA LEU A 26 1.061 -24.250 -19.908 1.00 53.31 C ATOM 400 C LEU A 26 2.388 -23.899 -19.244 1.00 41.52 C ATOM 401 O LEU A 26 3.340 -23.492 -19.911 1.00 23.31 O ATOM 402 CB LEU A 26 1.127 -25.664 -20.488 1.00 34.22 C ATOM 403 CG LEU A 26 -0.177 -26.212 -21.071 1.00 5.53 C ATOM 404 CD1 LEU A 26 -0.267 -25.906 -22.557 1.00 50.53 C ATOM 405 CD2 LEU A 26 -0.283 -27.710 -20.825 1.00 1.25 C ATOM 0 H LEU A 26 1.468 -23.151 -21.647 1.00 52.13 H new ATOM 0 HA LEU A 26 0.276 -24.210 -19.153 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.886 -25.679 -21.270 1.00 34.22 H new ATOM 0 HB3 LEU A 26 1.464 -26.342 -19.704 1.00 34.22 H new ATOM 0 HG LEU A 26 -1.011 -25.722 -20.569 1.00 5.53 H new ATOM 0 HD11 LEU A 26 -1.201 -26.303 -22.954 1.00 50.53 H new ATOM 0 HD12 LEU A 26 -0.238 -24.827 -22.709 1.00 50.53 H new ATOM 0 HD13 LEU A 26 0.573 -26.368 -23.075 1.00 50.53 H new ATOM 0 HD21 LEU A 26 -1.217 -28.083 -21.246 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.557 -28.217 -21.299 1.00 1.25 H new ATOM 0 HD23 LEU A 26 -0.266 -27.905 -19.753 1.00 1.25 H new ATOM 417 N GLY A 27 2.446 -24.060 -17.926 1.00 11.13 N ATOM 418 CA GLY A 27 3.662 -23.757 -17.194 1.00 74.50 C ATOM 419 C GLY A 27 3.387 -23.068 -15.872 1.00 72.22 C ATOM 420 O GLY A 27 2.232 -22.842 -15.510 1.00 33.15 O ATOM 0 H GLY A 27 1.672 -24.395 -17.352 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.212 -24.680 -17.011 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.302 -23.121 -17.806 1.00 74.50 H new ATOM 424 N VAL A 28 4.451 -22.733 -15.148 1.00 0.31 N ATOM 425 CA VAL A 28 4.317 -22.066 -13.858 1.00 11.43 C ATOM 426 C VAL A 28 5.416 -21.027 -13.662 1.00 12.21 C ATOM 427 O VAL A 28 6.548 -21.212 -14.109 1.00 72.43 O ATOM 428 CB VAL A 28 4.369 -23.076 -12.696 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.698 -22.500 -11.459 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.719 -24.389 -13.104 1.00 65.50 C ATOM 0 H VAL A 28 5.414 -22.912 -15.433 1.00 0.31 H new ATOM 0 HA VAL A 28 3.346 -21.571 -13.856 1.00 11.43 H new ATOM 0 HB VAL A 28 5.413 -23.274 -12.454 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.744 -23.227 -10.648 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.212 -21.587 -11.158 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.656 -22.272 -11.683 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.764 -25.091 -12.272 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.678 -24.211 -13.373 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.249 -24.807 -13.960 1.00 65.50 H new ATOM 440 N PHE A 29 5.073 -19.932 -12.990 1.00 21.24 N ATOM 441 CA PHE A 29 6.029 -18.861 -12.735 1.00 24.31 C ATOM 442 C PHE A 29 6.345 -18.758 -11.246 1.00 74.32 C ATOM 443 O PHE A 29 5.482 -18.992 -10.401 1.00 14.41 O ATOM 444 CB PHE A 29 5.482 -17.527 -13.245 1.00 62.43 C ATOM 445 CG PHE A 29 5.301 -17.484 -14.736 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.245 -18.048 -15.578 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.186 -16.878 -15.294 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.080 -18.012 -16.951 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.016 -16.838 -16.665 1.00 64.12 C ATOM 450 CZ PHE A 29 4.965 -17.404 -17.494 1.00 52.54 C ATOM 0 H PHE A 29 4.140 -19.764 -12.613 1.00 21.24 H new ATOM 0 HA PHE A 29 6.950 -19.095 -13.269 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.524 -17.329 -12.765 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.160 -16.727 -12.946 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.120 -18.521 -15.158 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.442 -16.432 -14.650 1.00 0.33 H new ATOM 0 HE1 PHE A 29 6.821 -18.458 -17.597 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.142 -16.365 -17.088 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.835 -17.371 -18.566 1.00 52.54 H new ATOM 460 N GLN A 30 7.589 -18.408 -10.934 1.00 73.10 N ATOM 461 CA GLN A 30 8.019 -18.274 -9.546 1.00 2.03 C ATOM 462 C GLN A 30 8.605 -16.890 -9.288 1.00 32.14 C ATOM 463 O GLN A 30 9.789 -16.651 -9.525 1.00 10.04 O ATOM 464 CB GLN A 30 9.053 -19.349 -9.206 1.00 11.10 C ATOM 465 CG GLN A 30 9.447 -19.372 -7.738 1.00 21.52 C ATOM 466 CD GLN A 30 8.280 -19.698 -6.826 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.484 -20.593 -7.113 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.174 -18.974 -5.719 1.00 1.20 N ATOM 0 H GLN A 30 8.316 -18.212 -11.622 1.00 73.10 H new ATOM 0 HA GLN A 30 7.145 -18.403 -8.907 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.654 -20.325 -9.482 1.00 11.10 H new ATOM 0 HB3 GLN A 30 9.945 -19.187 -9.811 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.237 -20.109 -7.589 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.860 -18.402 -7.461 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.856 -18.242 -5.521 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.410 -19.149 -5.066 1.00 1.20 H new ATOM 477 N LEU A 31 7.767 -15.981 -8.802 1.00 65.02 N ATOM 478 CA LEU A 31 8.201 -14.618 -8.511 1.00 54.50 C ATOM 479 C LEU A 31 8.845 -14.534 -7.131 1.00 53.24 C ATOM 480 O LEU A 31 8.289 -15.019 -6.146 1.00 13.04 O ATOM 481 CB LEU A 31 7.015 -13.656 -8.593 1.00 52.25 C ATOM 482 CG LEU A 31 7.071 -12.443 -7.665 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.292 -11.591 -7.972 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.798 -11.617 -7.789 1.00 64.43 C ATOM 0 H LEU A 31 6.784 -16.162 -8.601 1.00 65.02 H new ATOM 0 HA LEU A 31 8.944 -14.333 -9.256 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.932 -13.300 -9.620 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.104 -14.214 -8.375 1.00 52.25 H new ATOM 0 HG LEU A 31 7.151 -12.800 -6.638 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.314 -10.732 -7.301 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.195 -12.185 -7.831 1.00 62.41 H new ATOM 0 HD13 LEU A 31 8.243 -11.244 -9.004 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.855 -10.757 -7.121 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.687 -11.271 -8.817 1.00 64.43 H new ATOM 0 HD23 LEU A 31 4.939 -12.230 -7.518 1.00 64.43 H new ATOM 496 N ASN A 32 10.018 -13.915 -7.067 1.00 55.44 N ATOM 497 CA ASN A 32 10.737 -13.766 -5.807 1.00 63.23 C ATOM 498 C ASN A 32 11.086 -12.304 -5.551 1.00 53.21 C ATOM 499 O ASN A 32 11.930 -11.726 -6.236 1.00 30.12 O ATOM 500 CB ASN A 32 12.012 -14.612 -5.820 1.00 15.22 C ATOM 501 CG ASN A 32 11.740 -16.061 -6.173 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.684 -16.925 -5.297 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.571 -16.335 -7.461 1.00 41.33 N ATOM 0 H ASN A 32 10.492 -13.508 -7.873 1.00 55.44 H new ATOM 0 HA ASN A 32 10.088 -14.113 -5.003 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.716 -14.192 -6.538 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.488 -14.563 -4.841 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.386 -17.293 -7.759 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.626 -15.588 -8.153 1.00 41.33 H new ATOM 510 N ILE A 33 10.432 -11.711 -4.557 1.00 31.21 N ATOM 511 CA ILE A 33 10.674 -10.317 -4.208 1.00 31.14 C ATOM 512 C ILE A 33 11.639 -10.203 -3.032 1.00 52.44 C ATOM 513 O ILE A 33 11.505 -10.912 -2.034 1.00 11.10 O ATOM 514 CB ILE A 33 9.364 -9.588 -3.854 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.333 -9.778 -4.968 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.628 -8.109 -3.616 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.488 -11.022 -4.804 1.00 72.22 C ATOM 0 H ILE A 33 9.731 -12.175 -3.980 1.00 31.21 H new ATOM 0 HA ILE A 33 11.117 -9.846 -5.086 1.00 31.14 H new ATOM 0 HB ILE A 33 8.963 -10.017 -2.936 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.679 -8.906 -5.000 1.00 12.13 H new ATOM 0 HG13 ILE A 33 8.850 -9.824 -5.926 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.693 -7.608 -3.367 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.332 -7.993 -2.792 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.049 -7.665 -4.518 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.780 -11.092 -5.629 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.132 -11.902 -4.803 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.943 -10.970 -3.861 1.00 72.22 H new ATOM 529 N LYS A 34 12.612 -9.306 -3.156 1.00 22.24 N ATOM 530 CA LYS A 34 13.597 -9.097 -2.103 1.00 23.21 C ATOM 531 C LYS A 34 12.958 -8.448 -0.879 1.00 44.34 C ATOM 532 O LYS A 34 11.953 -7.746 -0.990 1.00 15.11 O ATOM 533 CB LYS A 34 14.745 -8.224 -2.616 1.00 53.34 C ATOM 534 CG LYS A 34 15.817 -9.002 -3.359 1.00 41.43 C ATOM 535 CD LYS A 34 16.023 -8.465 -4.765 1.00 33.21 C ATOM 536 CE LYS A 34 17.407 -8.805 -5.294 1.00 40.23 C ATOM 537 NZ LYS A 34 17.344 -9.732 -6.458 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.739 -8.712 -3.976 1.00 22.24 H new ATOM 0 HA LYS A 34 13.991 -10.070 -1.811 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.340 -7.458 -3.277 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.202 -7.707 -1.772 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.755 -8.948 -2.807 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.536 -10.054 -3.408 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.266 -8.882 -5.429 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.888 -7.383 -4.766 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.919 -7.888 -5.587 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.998 -9.260 -4.499 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.308 -9.939 -6.789 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 16.878 -10.617 -6.172 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 16.802 -9.288 -7.226 1.00 30.42 H new ATOM 551 N THR A 35 13.549 -8.687 0.287 1.00 41.14 N ATOM 552 CA THR A 35 13.038 -8.125 1.532 1.00 62.04 C ATOM 553 C THR A 35 14.173 -7.787 2.491 1.00 21.21 C ATOM 554 O THR A 35 15.330 -8.122 2.240 1.00 42.41 O ATOM 555 CB THR A 35 12.064 -9.096 2.227 1.00 73.14 C ATOM 556 OG1 THR A 35 12.795 -10.147 2.869 1.00 74.33 O ATOM 557 CG2 THR A 35 11.084 -9.690 1.227 1.00 21.11 C ATOM 0 H THR A 35 14.382 -9.266 0.396 1.00 41.14 H new ATOM 0 HA THR A 35 12.505 -7.211 1.271 1.00 62.04 H new ATOM 0 HB THR A 35 11.500 -8.537 2.974 1.00 73.14 H new ATOM 0 HG1 THR A 35 12.169 -10.759 3.309 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.407 -10.372 1.742 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.508 -8.890 0.762 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.633 -10.235 0.459 1.00 21.11 H new ATOM 565 N ALA A 36 13.834 -7.123 3.591 1.00 32.44 N ATOM 566 CA ALA A 36 14.827 -6.744 4.590 1.00 70.24 C ATOM 567 C ALA A 36 15.211 -7.933 5.463 1.00 54.21 C ATOM 568 O ALA A 36 16.224 -7.902 6.160 1.00 10.51 O ATOM 569 CB ALA A 36 14.300 -5.604 5.449 1.00 11.33 C ATOM 0 H ALA A 36 12.881 -6.836 3.813 1.00 32.44 H new ATOM 0 HA ALA A 36 15.723 -6.408 4.067 1.00 70.24 H new ATOM 0 HB1 ALA A 36 15.050 -5.330 6.191 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.083 -4.743 4.817 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.388 -5.921 5.955 1.00 11.33 H new ATOM 575 N SER A 37 14.395 -8.982 5.418 1.00 12.43 N ATOM 576 CA SER A 37 14.647 -10.181 6.208 1.00 24.12 C ATOM 577 C SER A 37 14.913 -11.381 5.305 1.00 71.45 C ATOM 578 O SER A 37 14.972 -12.519 5.768 1.00 35.33 O ATOM 579 CB SER A 37 13.458 -10.472 7.127 1.00 74.34 C ATOM 580 OG SER A 37 13.698 -9.992 8.438 1.00 31.32 O ATOM 0 H SER A 37 13.554 -9.025 4.843 1.00 12.43 H new ATOM 0 HA SER A 37 15.533 -10.004 6.818 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.560 -10.004 6.724 1.00 74.34 H new ATOM 0 HB3 SER A 37 13.272 -11.546 7.158 1.00 74.34 H new ATOM 0 HG SER A 37 12.923 -10.188 9.005 1.00 31.32 H new ATOM 586 N GLY A 38 15.072 -11.117 4.011 1.00 20.32 N ATOM 587 CA GLY A 38 15.329 -12.185 3.063 1.00 11.02 C ATOM 588 C GLY A 38 14.587 -11.989 1.755 1.00 44.13 C ATOM 589 O GLY A 38 14.672 -10.927 1.138 1.00 2.10 O ATOM 0 H GLY A 38 15.027 -10.183 3.603 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.399 -12.242 2.865 1.00 11.02 H new ATOM 0 HA3 GLY A 38 15.036 -13.137 3.505 1.00 11.02 H new ATOM 593 N VAL A 39 13.860 -13.016 1.330 1.00 25.01 N ATOM 594 CA VAL A 39 13.100 -12.952 0.087 1.00 53.13 C ATOM 595 C VAL A 39 11.785 -13.715 0.206 1.00 4.40 C ATOM 596 O VAL A 39 11.717 -14.754 0.861 1.00 12.03 O ATOM 597 CB VAL A 39 13.908 -13.524 -1.093 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.938 -15.043 -1.035 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.328 -13.045 -2.416 1.00 44.20 C ATOM 0 H VAL A 39 13.781 -13.903 1.828 1.00 25.01 H new ATOM 0 HA VAL A 39 12.889 -11.899 -0.102 1.00 53.13 H new ATOM 0 HB VAL A 39 14.933 -13.162 -1.018 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.513 -15.428 -1.877 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.402 -15.362 -0.102 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.920 -15.429 -1.085 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.910 -13.458 -3.239 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.293 -13.377 -2.501 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.364 -11.956 -2.456 1.00 44.20 H new ATOM 609 N GLU A 40 10.744 -13.191 -0.433 1.00 32.42 N ATOM 610 CA GLU A 40 9.431 -13.824 -0.399 1.00 60.10 C ATOM 611 C GLU A 40 9.146 -14.560 -1.705 1.00 42.53 C ATOM 612 O GLU A 40 9.200 -13.971 -2.785 1.00 20.13 O ATOM 613 CB GLU A 40 8.343 -12.779 -0.142 1.00 24.13 C ATOM 614 CG GLU A 40 8.541 -11.491 -0.923 1.00 11.04 C ATOM 615 CD GLU A 40 7.459 -10.466 -0.641 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.781 -9.410 -0.056 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.292 -10.720 -1.004 1.00 55.13 O1- ATOM 0 H GLU A 40 10.784 -12.331 -0.980 1.00 32.42 H new ATOM 0 HA GLU A 40 9.428 -14.550 0.414 1.00 60.10 H new ATOM 0 HB2 GLU A 40 7.373 -13.205 -0.400 1.00 24.13 H new ATOM 0 HB3 GLU A 40 8.317 -12.548 0.923 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.513 -11.065 -0.674 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.555 -11.716 -1.990 1.00 11.04 H new ATOM 624 N GLN A 41 8.845 -15.849 -1.598 1.00 42.11 N ATOM 625 CA GLN A 41 8.553 -16.665 -2.770 1.00 75.52 C ATOM 626 C GLN A 41 7.080 -16.564 -3.152 1.00 53.35 C ATOM 627 O GLN A 41 6.230 -16.270 -2.312 1.00 61.42 O ATOM 628 CB GLN A 41 8.922 -18.127 -2.506 1.00 53.24 C ATOM 629 CG GLN A 41 10.395 -18.333 -2.188 1.00 24.20 C ATOM 630 CD GLN A 41 11.182 -18.847 -3.377 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.617 -19.414 -4.313 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.496 -18.651 -3.347 1.00 4.21 N ATOM 0 H GLN A 41 8.797 -16.351 -0.712 1.00 42.11 H new ATOM 0 HA GLN A 41 9.152 -16.289 -3.599 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.323 -18.500 -1.675 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.660 -18.723 -3.380 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.826 -17.390 -1.852 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.489 -19.038 -1.362 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.923 -18.176 -2.551 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.078 -18.975 -4.120 1.00 4.21 H new ATOM 641 N TRP A 42 6.786 -16.806 -4.424 1.00 43.02 N ATOM 642 CA TRP A 42 5.415 -16.741 -4.918 1.00 5.44 C ATOM 643 C TRP A 42 5.223 -17.661 -6.118 1.00 60.44 C ATOM 644 O TRP A 42 6.090 -17.749 -6.989 1.00 11.52 O ATOM 645 CB TRP A 42 5.056 -15.303 -5.300 1.00 34.30 C ATOM 646 CG TRP A 42 5.096 -14.354 -4.141 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.181 -13.660 -3.686 1.00 55.51 C ATOM 648 CD2 TRP A 42 4.002 -13.995 -3.289 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.827 -12.892 -2.602 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.497 -13.079 -2.340 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.653 -14.357 -3.237 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.688 -12.523 -1.352 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.854 -13.804 -2.255 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.372 -12.895 -1.324 1.00 22.13 C ATOM 0 H TRP A 42 7.478 -17.049 -5.132 1.00 43.02 H new ATOM 0 HA TRP A 42 4.752 -17.074 -4.119 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.746 -14.956 -6.069 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.058 -15.289 -5.738 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.171 -13.708 -4.115 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.454 -12.282 -2.078 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.243 -15.056 -3.951 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 4.086 -11.822 -0.633 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.811 -14.078 -2.204 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.720 -12.480 -0.570 1.00 22.13 H new ATOM 665 N ILE A 43 4.085 -18.344 -6.158 1.00 22.22 N ATOM 666 CA ILE A 43 3.780 -19.257 -7.253 1.00 14.53 C ATOM 667 C ILE A 43 2.638 -18.725 -8.111 1.00 73.12 C ATOM 668 O ILE A 43 1.509 -18.584 -7.642 1.00 34.33 O ATOM 669 CB ILE A 43 3.407 -20.657 -6.732 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.462 -21.155 -5.742 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.259 -21.632 -7.891 1.00 31.11 C ATOM 672 CD1 ILE A 43 3.945 -21.296 -4.327 1.00 2.14 C ATOM 0 H ILE A 43 3.358 -18.283 -5.445 1.00 22.22 H new ATOM 0 HA ILE A 43 4.682 -19.333 -7.860 1.00 14.53 H new ATOM 0 HB ILE A 43 2.451 -20.592 -6.213 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.839 -22.120 -6.080 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.306 -20.465 -5.745 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.995 -22.617 -7.506 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.475 -21.283 -8.562 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.201 -21.696 -8.436 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.747 -21.653 -3.681 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.595 -20.328 -3.969 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.121 -22.009 -4.310 1.00 2.14 H new ATOM 684 N VAL A 44 2.939 -18.433 -9.372 1.00 32.54 N ATOM 685 CA VAL A 44 1.936 -17.919 -10.299 1.00 1.41 C ATOM 686 C VAL A 44 1.819 -18.809 -11.531 1.00 62.00 C ATOM 687 O VAL A 44 2.656 -18.750 -12.433 1.00 64.24 O ATOM 688 CB VAL A 44 2.269 -16.483 -10.745 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.493 -15.472 -9.915 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.765 -16.228 -10.648 1.00 14.24 C ATOM 0 H VAL A 44 3.869 -18.543 -9.776 1.00 32.54 H new ATOM 0 HA VAL A 44 0.985 -17.915 -9.767 1.00 1.41 H new ATOM 0 HB VAL A 44 1.971 -16.367 -11.787 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.741 -14.463 -10.245 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.424 -15.642 -10.041 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.757 -15.585 -8.864 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.982 -15.209 -10.967 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.091 -16.362 -9.617 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.296 -16.930 -11.291 1.00 14.24 H new ATOM 700 N ASP A 45 0.777 -19.631 -11.564 1.00 45.32 N ATOM 701 CA ASP A 45 0.549 -20.532 -12.686 1.00 21.31 C ATOM 702 C ASP A 45 -0.089 -19.791 -13.857 1.00 43.53 C ATOM 703 O ASP A 45 -0.755 -18.772 -13.673 1.00 12.42 O ATOM 704 CB ASP A 45 -0.344 -21.698 -12.259 1.00 64.12 C ATOM 705 CG ASP A 45 -1.392 -22.038 -13.301 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.211 -23.044 -14.019 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.393 -21.298 -13.397 1.00 51.12 O1- ATOM 0 H ASP A 45 0.076 -19.692 -10.826 1.00 45.32 H new ATOM 0 HA ASP A 45 1.515 -20.922 -13.008 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.275 -22.575 -12.071 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.838 -21.449 -11.320 1.00 64.12 H new ATOM 712 N LEU A 46 0.121 -20.308 -15.064 1.00 52.01 N ATOM 713 CA LEU A 46 -0.432 -19.694 -16.265 1.00 33.22 C ATOM 714 C LEU A 46 -1.481 -20.599 -16.906 1.00 13.22 C ATOM 715 O LEU A 46 -2.231 -20.174 -17.785 1.00 72.41 O ATOM 716 CB LEU A 46 0.683 -19.398 -17.270 1.00 61.21 C ATOM 717 CG LEU A 46 1.821 -20.417 -17.329 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.459 -20.427 -18.710 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.864 -20.116 -16.262 1.00 32.43 C ATOM 0 H LEU A 46 0.670 -21.150 -15.235 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.912 -18.759 -15.977 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.239 -19.321 -18.263 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.108 -18.422 -17.034 1.00 61.21 H new ATOM 0 HG LEU A 46 1.406 -21.406 -17.135 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.267 -21.158 -18.732 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.709 -20.692 -19.455 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.859 -19.438 -18.933 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.666 -20.852 -16.319 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.274 -19.119 -16.425 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.400 -20.161 -15.277 1.00 32.43 H new ATOM 731 N LYS A 47 -1.530 -21.848 -16.456 1.00 32.14 N ATOM 732 CA LYS A 47 -2.488 -22.813 -16.981 1.00 73.41 C ATOM 733 C LYS A 47 -3.910 -22.448 -16.567 1.00 25.15 C ATOM 734 O LYS A 47 -4.811 -22.379 -17.403 1.00 30.54 O ATOM 735 CB LYS A 47 -2.148 -24.222 -16.489 1.00 12.14 C ATOM 736 CG LYS A 47 -0.671 -24.561 -16.589 1.00 71.22 C ATOM 737 CD LYS A 47 -0.453 -25.905 -17.264 1.00 44.04 C ATOM 738 CE LYS A 47 -0.264 -27.017 -16.243 1.00 52.41 C ATOM 739 NZ LYS A 47 -1.407 -27.971 -16.244 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.917 -22.216 -15.728 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.428 -22.791 -18.069 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.466 -24.322 -15.451 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.719 -24.948 -17.068 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.155 -23.782 -17.151 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.232 -24.578 -15.591 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.306 -26.136 -17.901 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.423 -25.851 -17.911 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.659 -27.556 -16.459 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -0.154 -26.583 -15.249 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 -1.240 -28.713 -15.535 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -2.284 -27.462 -16.013 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 -1.496 -28.405 -17.185 1.00 64.34 H new ATOM 753 N GLN A 48 -4.104 -22.215 -15.273 1.00 45.21 N ATOM 754 CA GLN A 48 -5.415 -21.856 -14.749 1.00 10.22 C ATOM 755 C GLN A 48 -5.448 -20.394 -14.317 1.00 4.23 C ATOM 756 O GLN A 48 -6.473 -19.896 -13.849 1.00 2.01 O ATOM 757 CB GLN A 48 -5.780 -22.757 -13.568 1.00 63.24 C ATOM 758 CG GLN A 48 -5.824 -24.235 -13.921 1.00 72.31 C ATOM 759 CD GLN A 48 -6.320 -25.094 -12.774 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.477 -25.517 -12.755 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.446 -25.358 -11.811 1.00 43.10 N ATOM 0 H GLN A 48 -3.369 -22.269 -14.568 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.147 -21.997 -15.545 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.056 -22.605 -12.768 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.753 -22.456 -13.179 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.473 -24.379 -14.785 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.827 -24.565 -14.212 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.498 -24.987 -11.867 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.723 -25.932 -11.015 1.00 43.10 H new ATOM 770 N LEU A 49 -4.321 -19.710 -14.477 1.00 40.44 N ATOM 771 CA LEU A 49 -4.219 -18.303 -14.103 1.00 12.54 C ATOM 772 C LEU A 49 -4.523 -18.110 -12.621 1.00 71.02 C ATOM 773 O LEU A 49 -5.625 -17.706 -12.248 1.00 2.15 O ATOM 774 CB LEU A 49 -5.179 -17.460 -14.945 1.00 75.10 C ATOM 775 CG LEU A 49 -4.784 -17.253 -16.407 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.373 -16.693 -16.504 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.897 -18.557 -17.181 1.00 22.10 C ATOM 0 H LEU A 49 -3.464 -20.106 -14.863 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.196 -17.976 -14.291 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.162 -17.930 -14.918 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.280 -16.482 -14.475 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.471 -16.532 -16.850 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.109 -16.552 -17.552 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.325 -15.735 -15.986 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.673 -17.390 -16.044 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.612 -18.390 -18.220 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.235 -19.301 -16.738 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.925 -18.916 -17.141 1.00 22.10 H new ATOM 789 N LYS A 50 -3.536 -18.400 -11.778 1.00 54.03 N ATOM 790 CA LYS A 50 -3.694 -18.256 -10.336 1.00 73.12 C ATOM 791 C LYS A 50 -2.394 -17.787 -9.690 1.00 13.13 C ATOM 792 O LYS A 50 -1.362 -17.687 -10.352 1.00 33.05 O ATOM 793 CB LYS A 50 -4.137 -19.582 -9.715 1.00 23.41 C ATOM 794 CG LYS A 50 -3.352 -20.781 -10.221 1.00 12.24 C ATOM 795 CD LYS A 50 -3.974 -22.089 -9.760 1.00 71.24 C ATOM 796 CE LYS A 50 -3.322 -22.598 -8.484 1.00 14.43 C ATOM 797 NZ LYS A 50 -3.972 -23.842 -7.987 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.618 -18.736 -12.070 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.461 -17.504 -10.153 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.032 -19.520 -8.632 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.196 -19.736 -9.924 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.314 -20.759 -11.310 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.324 -20.721 -9.865 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -5.041 -21.946 -9.592 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -3.872 -22.838 -10.545 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.265 -22.789 -8.668 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.378 -21.827 -7.715 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -3.499 -24.157 -7.116 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -4.975 -23.654 -7.787 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -3.897 -24.586 -8.710 1.00 41.23 H new ATOM 811 N VAL A 51 -2.452 -17.504 -8.393 1.00 11.01 N ATOM 812 CA VAL A 51 -1.278 -17.050 -7.656 1.00 51.13 C ATOM 813 C VAL A 51 -1.321 -17.522 -6.207 1.00 24.24 C ATOM 814 O VAL A 51 -2.379 -17.524 -5.576 1.00 11.33 O ATOM 815 CB VAL A 51 -1.160 -15.515 -7.682 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.490 -14.870 -7.324 1.00 60.22 C ATOM 817 CG2 VAL A 51 -0.062 -15.050 -6.737 1.00 51.31 C ATOM 0 H VAL A 51 -3.299 -17.581 -7.830 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.407 -17.483 -8.149 1.00 51.13 H new ATOM 0 HB VAL A 51 -0.894 -15.206 -8.693 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.386 -13.785 -7.348 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.249 -15.178 -8.043 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.789 -15.184 -6.324 1.00 60.22 H new ATOM 0 HG21 VAL A 51 0.008 -13.963 -6.768 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.296 -15.370 -5.722 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.890 -15.484 -7.044 1.00 51.31 H new ATOM 827 N ASP A 52 -0.167 -17.921 -5.685 1.00 34.02 N ATOM 828 CA ASP A 52 -0.072 -18.393 -4.310 1.00 10.05 C ATOM 829 C ASP A 52 1.264 -17.995 -3.689 1.00 41.12 C ATOM 830 O ASP A 52 2.174 -17.548 -4.387 1.00 32.23 O ATOM 831 CB ASP A 52 -0.240 -19.912 -4.258 1.00 62.44 C ATOM 832 CG ASP A 52 -1.388 -20.398 -5.119 1.00 53.22 C ATOM 833 OD1 ASP A 52 -1.120 -20.989 -6.188 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.554 -20.188 -4.726 1.00 41.01 O1- ATOM 0 H ASP A 52 0.717 -17.927 -6.194 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.872 -17.926 -3.735 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.684 -20.388 -4.587 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.408 -20.221 -3.226 1.00 62.44 H new ATOM 839 N GLN A 53 1.372 -18.159 -2.375 1.00 45.12 N ATOM 840 CA GLN A 53 2.596 -17.814 -1.661 1.00 63.05 C ATOM 841 C GLN A 53 3.532 -19.016 -1.573 1.00 31.52 C ATOM 842 O GLN A 53 3.112 -20.156 -1.761 1.00 43.42 O ATOM 843 CB GLN A 53 2.266 -17.305 -0.256 1.00 21.35 C ATOM 844 CG GLN A 53 1.988 -18.417 0.744 1.00 51.34 C ATOM 845 CD GLN A 53 0.685 -19.139 0.466 1.00 13.11 C ATOM 846 OE1 GLN A 53 -0.355 -18.811 1.037 1.00 31.44 O ATOM 847 NE2 GLN A 53 0.735 -20.131 -0.416 1.00 1.42 N ATOM 0 H GLN A 53 0.628 -18.528 -1.783 1.00 45.12 H new ATOM 0 HA GLN A 53 3.101 -17.024 -2.217 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.097 -16.700 0.107 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.396 -16.651 -0.311 1.00 21.35 H new ATOM 0 HG2 GLN A 53 2.808 -19.134 0.721 1.00 51.34 H new ATOM 0 HG3 GLN A 53 1.959 -17.997 1.750 1.00 51.34 H new ATOM 0 HE21 GLN A 53 1.619 -20.369 -0.866 1.00 1.42 H new ATOM 0 HE22 GLN A 53 -0.110 -20.654 -0.643 1.00 1.42 H new ATOM 856 N GLY A 54 4.802 -18.750 -1.285 1.00 60.23 N ATOM 857 CA GLY A 54 5.777 -19.820 -1.177 1.00 32.11 C ATOM 858 C GLY A 54 6.411 -20.163 -2.511 1.00 61.12 C ATOM 859 O GLY A 54 6.386 -19.360 -3.443 1.00 34.53 O ATOM 0 H GLY A 54 5.173 -17.814 -1.125 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.556 -19.528 -0.472 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.294 -20.708 -0.769 1.00 32.11 H new ATOM 863 N VAL A 55 6.980 -21.361 -2.603 1.00 63.32 N ATOM 864 CA VAL A 55 7.624 -21.809 -3.832 1.00 0.23 C ATOM 865 C VAL A 55 6.962 -23.073 -4.370 1.00 31.05 C ATOM 866 O VAL A 55 6.495 -23.916 -3.603 1.00 13.53 O ATOM 867 CB VAL A 55 9.124 -22.081 -3.613 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.324 -23.132 -2.532 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.782 -22.513 -4.915 1.00 61.54 C ATOM 0 H VAL A 55 7.008 -22.039 -1.841 1.00 63.32 H new ATOM 0 HA VAL A 55 7.511 -21.005 -4.560 1.00 0.23 H new ATOM 0 HB VAL A 55 9.598 -21.158 -3.281 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.390 -23.311 -2.391 1.00 35.12 H new ATOM 0 HG12 VAL A 55 8.889 -22.780 -1.597 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.837 -24.060 -2.832 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.842 -22.701 -4.742 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.306 -23.424 -5.278 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.670 -21.724 -5.659 1.00 61.54 H new ATOM 879 N PHE A 56 6.925 -23.198 -5.692 1.00 21.01 N ATOM 880 CA PHE A 56 6.320 -24.360 -6.333 1.00 21.13 C ATOM 881 C PHE A 56 7.277 -25.549 -6.320 1.00 72.32 C ATOM 882 O PHE A 56 8.477 -25.390 -6.101 1.00 54.15 O ATOM 883 CB PHE A 56 5.924 -24.025 -7.773 1.00 15.22 C ATOM 884 CG PHE A 56 5.021 -25.049 -8.399 1.00 13.30 C ATOM 885 CD1 PHE A 56 5.323 -25.596 -9.636 1.00 53.50 C ATOM 886 CD2 PHE A 56 3.868 -25.464 -7.750 1.00 11.02 C ATOM 887 CE1 PHE A 56 4.495 -26.538 -10.214 1.00 22.55 C ATOM 888 CE2 PHE A 56 3.036 -26.406 -8.325 1.00 40.34 C ATOM 889 CZ PHE A 56 3.349 -26.943 -9.558 1.00 32.22 C ATOM 0 H PHE A 56 7.307 -22.509 -6.341 1.00 21.01 H new ATOM 0 HA PHE A 56 5.426 -24.630 -5.771 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.426 -23.055 -7.788 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.826 -23.930 -8.377 1.00 15.22 H new ATOM 0 HD1 PHE A 56 6.217 -25.282 -10.154 1.00 53.50 H new ATOM 0 HD2 PHE A 56 3.618 -25.047 -6.786 1.00 11.02 H new ATOM 0 HE1 PHE A 56 4.743 -26.957 -11.178 1.00 22.55 H new ATOM 0 HE2 PHE A 56 2.141 -26.722 -7.810 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.699 -27.678 -10.009 1.00 32.22 H new ATOM 899 N ALA A 57 6.735 -26.739 -6.555 1.00 32.10 N ATOM 900 CA ALA A 57 7.539 -27.955 -6.572 1.00 4.40 C ATOM 901 C ALA A 57 8.612 -27.888 -7.654 1.00 45.14 C ATOM 902 O ALA A 57 9.694 -28.456 -7.505 1.00 5.11 O ATOM 903 CB ALA A 57 6.652 -29.172 -6.782 1.00 15.14 C ATOM 0 H ALA A 57 5.742 -26.887 -6.736 1.00 32.10 H new ATOM 0 HA ALA A 57 8.037 -28.045 -5.607 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.266 -30.072 -6.792 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.926 -29.237 -5.972 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.127 -29.080 -7.733 1.00 15.14 H new ATOM 909 N SER A 58 8.306 -27.189 -8.743 1.00 54.32 N ATOM 910 CA SER A 58 9.243 -27.052 -9.852 1.00 12.25 C ATOM 911 C SER A 58 8.654 -26.179 -10.956 1.00 23.03 C ATOM 912 O SER A 58 8.110 -26.668 -11.945 1.00 74.33 O ATOM 913 CB SER A 58 9.606 -28.428 -10.413 1.00 24.15 C ATOM 914 OG SER A 58 10.798 -28.921 -9.824 1.00 63.33 O ATOM 0 H SER A 58 7.417 -26.709 -8.881 1.00 54.32 H new ATOM 0 HA SER A 58 10.146 -26.571 -9.476 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.790 -29.126 -10.228 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.731 -28.362 -11.494 1.00 24.15 H new ATOM 0 HG SER A 58 10.669 -29.019 -8.858 1.00 63.33 H new ATOM 920 N PRO A 59 8.765 -24.854 -10.783 1.00 64.12 N ATOM 921 CA PRO A 59 8.250 -23.883 -11.753 1.00 73.32 C ATOM 922 C PRO A 59 9.052 -23.879 -13.050 1.00 23.22 C ATOM 923 O PRO A 59 10.280 -23.961 -13.031 1.00 4.44 O ATOM 924 CB PRO A 59 8.399 -22.543 -11.029 1.00 61.42 C ATOM 925 CG PRO A 59 9.503 -22.761 -10.052 1.00 4.13 C ATOM 926 CD PRO A 59 9.401 -24.200 -9.626 1.00 10.03 C ATOM 0 HA PRO A 59 7.226 -24.110 -12.052 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.640 -21.741 -11.726 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.475 -22.260 -10.525 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.472 -22.556 -10.506 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.405 -22.093 -9.196 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.381 -24.626 -9.412 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.801 -24.310 -8.722 1.00 10.03 H new ATOM 934 N ASP A 60 8.349 -23.784 -14.173 1.00 20.31 N ATOM 935 CA ASP A 60 8.997 -23.768 -15.481 1.00 71.05 C ATOM 936 C ASP A 60 9.940 -22.576 -15.605 1.00 72.31 C ATOM 937 O ASP A 60 10.848 -22.574 -16.437 1.00 5.43 O ATOM 938 CB ASP A 60 7.947 -23.722 -16.592 1.00 60.31 C ATOM 939 CG ASP A 60 8.425 -24.389 -17.867 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.571 -24.748 -18.706 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.653 -24.552 -18.028 1.00 72.43 O1- ATOM 0 H ASP A 60 7.332 -23.717 -14.205 1.00 20.31 H new ATOM 0 HA ASP A 60 9.582 -24.682 -15.582 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.036 -24.212 -16.248 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.690 -22.684 -16.803 1.00 60.31 H new ATOM 946 N VAL A 61 9.720 -21.563 -14.773 1.00 23.13 N ATOM 947 CA VAL A 61 10.550 -20.365 -14.790 1.00 4.42 C ATOM 948 C VAL A 61 10.669 -19.760 -13.396 1.00 2.01 C ATOM 949 O VAL A 61 9.758 -19.876 -12.575 1.00 3.25 O ATOM 950 CB VAL A 61 9.985 -19.303 -15.752 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.833 -18.042 -15.713 1.00 0.55 C ATOM 952 CG2 VAL A 61 9.903 -19.857 -17.166 1.00 33.43 C ATOM 0 H VAL A 61 8.973 -21.548 -14.078 1.00 23.13 H new ATOM 0 HA VAL A 61 11.537 -20.669 -15.137 1.00 4.42 H new ATOM 0 HB VAL A 61 8.977 -19.043 -15.428 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.418 -17.303 -16.399 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.836 -17.636 -14.701 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.854 -18.281 -16.011 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.502 -19.094 -17.833 1.00 33.43 H new ATOM 0 HG22 VAL A 61 10.899 -20.145 -17.502 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.249 -20.729 -17.178 1.00 33.43 H new ATOM 962 N THR A 62 11.799 -19.111 -13.132 1.00 50.24 N ATOM 963 CA THR A 62 12.038 -18.487 -11.838 1.00 14.23 C ATOM 964 C THR A 62 12.358 -17.004 -11.992 1.00 31.34 C ATOM 965 O THR A 62 13.447 -16.636 -12.431 1.00 52.43 O ATOM 966 CB THR A 62 13.197 -19.174 -11.088 1.00 64.24 C ATOM 967 OG1 THR A 62 13.545 -20.399 -11.743 1.00 4.13 O ATOM 968 CG2 THR A 62 12.813 -19.455 -9.643 1.00 53.40 C ATOM 0 H THR A 62 12.563 -19.004 -13.799 1.00 50.24 H new ATOM 0 HA THR A 62 11.121 -18.600 -11.259 1.00 14.23 H new ATOM 0 HB THR A 62 14.056 -18.503 -11.095 1.00 64.24 H new ATOM 0 HG1 THR A 62 13.948 -20.201 -12.614 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.645 -19.940 -9.133 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.576 -18.517 -9.140 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.942 -20.110 -9.619 1.00 53.40 H new ATOM 976 N VAL A 63 11.401 -16.156 -11.629 1.00 71.42 N ATOM 977 CA VAL A 63 11.580 -14.713 -11.725 1.00 52.44 C ATOM 978 C VAL A 63 12.117 -14.137 -10.419 1.00 12.25 C ATOM 979 O VAL A 63 11.540 -14.347 -9.352 1.00 15.12 O ATOM 980 CB VAL A 63 10.260 -14.005 -12.081 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.486 -12.512 -12.264 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.648 -14.618 -13.333 1.00 54.53 C ATOM 0 H VAL A 63 10.493 -16.444 -11.265 1.00 71.42 H new ATOM 0 HA VAL A 63 12.304 -14.537 -12.521 1.00 52.44 H new ATOM 0 HB VAL A 63 9.560 -14.143 -11.257 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.542 -12.029 -12.515 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.876 -12.087 -11.339 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.202 -12.348 -13.069 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.716 -14.106 -13.570 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.342 -14.513 -14.167 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.447 -15.675 -13.160 1.00 54.53 H new ATOM 992 N THR A 64 13.224 -13.409 -10.511 1.00 21.22 N ATOM 993 CA THR A 64 13.841 -12.802 -9.337 1.00 44.01 C ATOM 994 C THR A 64 13.910 -11.286 -9.475 1.00 25.10 C ATOM 995 O THR A 64 14.694 -10.759 -10.264 1.00 72.04 O ATOM 996 CB THR A 64 15.260 -13.350 -9.100 1.00 34.33 C ATOM 997 OG1 THR A 64 15.577 -14.333 -10.092 1.00 1.35 O ATOM 998 CG2 THR A 64 15.378 -13.966 -7.714 1.00 73.53 C ATOM 0 H THR A 64 13.713 -13.225 -11.387 1.00 21.22 H new ATOM 0 HA THR A 64 13.214 -13.059 -8.483 1.00 44.01 H new ATOM 0 HB THR A 64 15.963 -12.520 -9.173 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.499 -14.641 -9.965 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.389 -14.346 -7.570 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.164 -13.209 -6.960 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.665 -14.785 -7.618 1.00 73.53 H new ATOM 1006 N VAL A 65 13.086 -10.587 -8.701 1.00 24.10 N ATOM 1007 CA VAL A 65 13.055 -9.130 -8.735 1.00 44.40 C ATOM 1008 C VAL A 65 13.220 -8.544 -7.338 1.00 72.43 C ATOM 1009 O VAL A 65 13.154 -9.260 -6.340 1.00 51.43 O ATOM 1010 CB VAL A 65 11.741 -8.609 -9.346 1.00 33.51 C ATOM 1011 CG1 VAL A 65 11.703 -8.880 -10.842 1.00 53.11 C ATOM 1012 CG2 VAL A 65 10.544 -9.242 -8.651 1.00 61.51 C ATOM 0 H VAL A 65 12.430 -11.007 -8.042 1.00 24.10 H new ATOM 0 HA VAL A 65 13.889 -8.811 -9.361 1.00 44.40 H new ATOM 0 HB VAL A 65 11.693 -7.531 -9.195 1.00 33.51 H new ATOM 0 HG11 VAL A 65 10.767 -8.505 -11.256 1.00 53.11 H new ATOM 0 HG12 VAL A 65 12.541 -8.377 -11.324 1.00 53.11 H new ATOM 0 HG13 VAL A 65 11.774 -9.953 -11.019 1.00 53.11 H new ATOM 0 HG21 VAL A 65 9.623 -8.863 -9.095 1.00 61.51 H new ATOM 0 HG22 VAL A 65 10.585 -10.325 -8.770 1.00 61.51 H new ATOM 0 HG23 VAL A 65 10.565 -8.992 -7.590 1.00 61.51 H new ATOM 1022 N GLY A 66 13.436 -7.233 -7.272 1.00 71.14 N ATOM 1023 CA GLY A 66 13.607 -6.572 -5.992 1.00 41.23 C ATOM 1024 C GLY A 66 12.424 -5.696 -5.630 1.00 23.54 C ATOM 1025 O GLY A 66 11.568 -5.417 -6.470 1.00 73.14 O ATOM 0 H GLY A 66 13.495 -6.617 -8.083 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.751 -7.323 -5.215 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.511 -5.964 -6.018 1.00 41.23 H new ATOM 1029 N LEU A 67 12.375 -5.260 -4.376 1.00 13.24 N ATOM 1030 CA LEU A 67 11.287 -4.411 -3.902 1.00 45.22 C ATOM 1031 C LEU A 67 11.152 -3.164 -4.771 1.00 21.23 C ATOM 1032 O LEU A 67 10.121 -2.949 -5.408 1.00 45.23 O ATOM 1033 CB LEU A 67 11.524 -4.009 -2.446 1.00 52.23 C ATOM 1034 CG LEU A 67 10.336 -4.181 -1.500 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.987 -5.653 -1.345 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.638 -3.558 -0.145 1.00 21.12 C ATOM 0 H LEU A 67 13.076 -5.480 -3.669 1.00 13.24 H new ATOM 0 HA LEU A 67 10.360 -4.980 -3.968 1.00 45.22 H new ATOM 0 HB2 LEU A 67 12.358 -4.595 -2.060 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.832 -2.964 -2.424 1.00 52.23 H new ATOM 0 HG LEU A 67 9.476 -3.667 -1.930 1.00 43.21 H new ATOM 0 HD11 LEU A 67 9.139 -5.757 -0.668 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.727 -6.070 -2.318 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.844 -6.189 -0.938 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.781 -3.690 0.515 1.00 21.12 H new ATOM 0 HD22 LEU A 67 11.511 -4.043 0.292 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.839 -2.494 -0.270 1.00 21.12 H new ATOM 1048 N GLU A 68 12.201 -2.348 -4.793 1.00 23.10 N ATOM 1049 CA GLU A 68 12.200 -1.124 -5.585 1.00 24.34 C ATOM 1050 C GLU A 68 11.789 -1.410 -7.027 1.00 61.31 C ATOM 1051 O GLU A 68 10.953 -0.706 -7.596 1.00 21.23 O ATOM 1052 CB GLU A 68 13.583 -0.470 -5.557 1.00 2.03 C ATOM 1053 CG GLU A 68 14.143 -0.291 -4.156 1.00 62.33 C ATOM 1054 CD GLU A 68 15.032 0.931 -4.036 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.365 1.527 -5.082 1.00 72.13 O ATOM 1056 OE2 GLU A 68 15.397 1.291 -2.897 1.00 60.41 O1- ATOM 0 H GLU A 68 13.062 -2.512 -4.272 1.00 23.10 H new ATOM 0 HA GLU A 68 11.474 -0.439 -5.147 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.275 -1.077 -6.141 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.525 0.504 -6.043 1.00 2.03 H new ATOM 0 HG2 GLU A 68 13.319 -0.208 -3.447 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.712 -1.179 -3.880 1.00 62.33 H new ATOM 1063 N ASP A 69 12.383 -2.444 -7.611 1.00 20.45 N ATOM 1064 CA ASP A 69 12.080 -2.823 -8.986 1.00 42.22 C ATOM 1065 C ASP A 69 10.581 -3.042 -9.171 1.00 43.43 C ATOM 1066 O ASP A 69 9.978 -2.513 -10.104 1.00 14.14 O ATOM 1067 CB ASP A 69 12.844 -4.092 -9.369 1.00 71.20 C ATOM 1068 CG ASP A 69 14.286 -4.061 -8.901 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.833 -2.951 -8.736 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.866 -5.149 -8.699 1.00 23.21 O1- ATOM 0 H ASP A 69 13.077 -3.035 -7.154 1.00 20.45 H new ATOM 0 HA ASP A 69 12.394 -2.009 -9.639 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.343 -4.959 -8.938 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.819 -4.215 -10.452 1.00 71.20 H new ATOM 1075 N MET A 70 9.987 -3.826 -8.277 1.00 54.02 N ATOM 1076 CA MET A 70 8.560 -4.115 -8.343 1.00 40.11 C ATOM 1077 C MET A 70 7.739 -2.843 -8.152 1.00 33.44 C ATOM 1078 O MET A 70 6.919 -2.489 -9.001 1.00 2.01 O ATOM 1079 CB MET A 70 8.177 -5.146 -7.279 1.00 64.44 C ATOM 1080 CG MET A 70 8.182 -6.577 -7.792 1.00 53.12 C ATOM 1081 SD MET A 70 6.767 -7.529 -7.205 1.00 44.35 S ATOM 1082 CE MET A 70 6.345 -8.453 -8.680 1.00 74.02 C ATOM 0 H MET A 70 10.472 -4.272 -7.499 1.00 54.02 H new ATOM 0 HA MET A 70 8.342 -4.523 -9.330 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.870 -5.066 -6.441 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.184 -4.909 -6.896 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.182 -6.568 -8.882 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.102 -7.069 -7.477 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.414 -8.995 -8.516 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.222 -7.766 -9.517 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.142 -9.161 -8.906 1.00 74.02 H new ATOM 1092 N LEU A 71 7.964 -2.160 -7.036 1.00 4.41 N ATOM 1093 CA LEU A 71 7.245 -0.927 -6.735 1.00 52.32 C ATOM 1094 C LEU A 71 7.320 0.047 -7.906 1.00 50.24 C ATOM 1095 O LEU A 71 6.392 0.819 -8.145 1.00 51.41 O ATOM 1096 CB LEU A 71 7.817 -0.274 -5.475 1.00 73.33 C ATOM 1097 CG LEU A 71 7.924 -1.172 -4.242 1.00 72.22 C ATOM 1098 CD1 LEU A 71 9.069 -0.719 -3.350 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.612 -1.177 -3.471 1.00 30.51 C ATOM 0 H LEU A 71 8.639 -2.439 -6.324 1.00 4.41 H new ATOM 0 HA LEU A 71 6.199 -1.179 -6.563 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.811 0.109 -5.708 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.196 0.585 -5.221 1.00 73.33 H new ATOM 0 HG LEU A 71 8.131 -2.190 -4.573 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.130 -1.370 -2.478 1.00 1.03 H new ATOM 0 HD12 LEU A 71 10.005 -0.769 -3.906 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.894 0.307 -3.026 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.706 -1.821 -2.597 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.374 -0.163 -3.150 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.814 -1.551 -4.113 1.00 30.51 H new ATOM 1111 N ALA A 72 8.430 0.003 -8.635 1.00 72.12 N ATOM 1112 CA ALA A 72 8.625 0.879 -9.784 1.00 10.33 C ATOM 1113 C ALA A 72 7.578 0.613 -10.860 1.00 3.31 C ATOM 1114 O ALA A 72 7.020 1.545 -11.440 1.00 20.22 O ATOM 1115 CB ALA A 72 10.025 0.701 -10.352 1.00 1.25 C ATOM 0 H ALA A 72 9.208 -0.630 -8.450 1.00 72.12 H new ATOM 0 HA ALA A 72 8.510 1.909 -9.448 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.156 1.361 -11.209 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.762 0.948 -9.588 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.161 -0.334 -10.667 1.00 1.25 H new ATOM 1121 N ILE A 73 7.317 -0.663 -11.122 1.00 10.35 N ATOM 1122 CA ILE A 73 6.336 -1.051 -12.129 1.00 70.44 C ATOM 1123 C ILE A 73 4.914 -0.831 -11.624 1.00 3.41 C ATOM 1124 O ILE A 73 4.160 -0.037 -12.187 1.00 51.33 O ATOM 1125 CB ILE A 73 6.502 -2.526 -12.539 1.00 2.34 C ATOM 1126 CG1 ILE A 73 7.981 -2.860 -12.737 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.713 -2.816 -13.806 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.221 -4.262 -13.250 1.00 20.44 C ATOM 0 H ILE A 73 7.771 -1.446 -10.651 1.00 10.35 H new ATOM 0 HA ILE A 73 6.511 -0.420 -13.000 1.00 70.44 H new ATOM 0 HB ILE A 73 6.111 -3.156 -11.740 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.416 -2.146 -13.437 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.503 -2.735 -11.789 1.00 5.34 H new ATOM 0 HG21 ILE A 73 5.841 -3.863 -14.083 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.656 -2.613 -13.631 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.076 -2.180 -14.614 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.292 -4.428 -13.367 1.00 20.44 H new ATOM 0 HD12 ILE A 73 7.817 -4.983 -12.540 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.728 -4.386 -14.214 1.00 20.44 H new ATOM 1140 N SER A 74 4.554 -1.539 -10.558 1.00 34.22 N ATOM 1141 CA SER A 74 3.222 -1.424 -9.978 1.00 34.44 C ATOM 1142 C SER A 74 2.911 0.025 -9.617 1.00 12.00 C ATOM 1143 O SER A 74 1.751 0.436 -9.594 1.00 4.54 O ATOM 1144 CB SER A 74 3.106 -2.307 -8.735 1.00 32.15 C ATOM 1145 OG SER A 74 2.403 -1.642 -7.700 1.00 43.53 O ATOM 0 H SER A 74 5.167 -2.198 -10.079 1.00 34.22 H new ATOM 0 HA SER A 74 2.498 -1.759 -10.721 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.592 -3.234 -8.990 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.102 -2.580 -8.385 1.00 32.15 H new ATOM 0 HG SER A 74 1.696 -2.227 -7.357 1.00 43.53 H new ATOM 1151 N GLY A 75 3.956 0.797 -9.335 1.00 30.23 N ATOM 1152 CA GLY A 75 3.775 2.191 -8.978 1.00 71.54 C ATOM 1153 C GLY A 75 3.464 3.061 -10.180 1.00 52.41 C ATOM 1154 O GLY A 75 3.231 4.263 -10.043 1.00 72.55 O ATOM 0 H GLY A 75 4.926 0.481 -9.348 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.965 2.275 -8.253 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.678 2.559 -8.491 1.00 71.54 H new ATOM 1158 N LYS A 76 3.460 2.455 -11.362 1.00 72.22 N ATOM 1159 CA LYS A 76 3.176 3.181 -12.594 1.00 63.32 C ATOM 1160 C LYS A 76 4.282 4.185 -12.902 1.00 4.25 C ATOM 1161 O LYS A 76 4.159 5.000 -13.816 1.00 51.51 O ATOM 1162 CB LYS A 76 1.831 3.905 -12.485 1.00 43.21 C ATOM 1163 CG LYS A 76 1.962 5.410 -12.325 1.00 10.13 C ATOM 1164 CD LYS A 76 0.719 6.014 -11.694 1.00 41.34 C ATOM 1165 CE LYS A 76 0.817 7.529 -11.609 1.00 40.22 C ATOM 1166 NZ LYS A 76 -0.125 8.090 -10.600 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.650 1.462 -11.493 1.00 72.22 H new ATOM 0 HA LYS A 76 3.128 2.459 -13.409 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.240 3.693 -13.376 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.280 3.504 -11.634 1.00 43.21 H new ATOM 0 HG2 LYS A 76 2.831 5.637 -11.708 1.00 10.13 H new ATOM 0 HG3 LYS A 76 2.135 5.867 -13.299 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.158 5.737 -12.279 1.00 41.34 H new ATOM 0 HD3 LYS A 76 0.579 5.601 -10.695 1.00 41.34 H new ATOM 0 HE2 LYS A 76 1.837 7.813 -11.351 1.00 40.22 H new ATOM 0 HE3 LYS A 76 0.603 7.962 -12.586 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -0.028 9.125 -10.572 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -1.101 7.841 -10.860 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 0.095 7.696 -9.663 1.00 53.25 H new ATOM 1180 N THR A 77 5.365 4.120 -12.133 1.00 13.43 N ATOM 1181 CA THR A 77 6.492 5.023 -12.323 1.00 43.43 C ATOM 1182 C THR A 77 7.400 4.539 -13.448 1.00 63.21 C ATOM 1183 O THR A 77 7.922 5.338 -14.227 1.00 21.54 O ATOM 1184 CB THR A 77 7.323 5.165 -11.034 1.00 71.41 C ATOM 1185 OG1 THR A 77 6.625 5.983 -10.089 1.00 24.34 O ATOM 1186 CG2 THR A 77 8.685 5.773 -11.332 1.00 61.23 C ATOM 0 H THR A 77 5.485 3.451 -11.373 1.00 13.43 H new ATOM 0 HA THR A 77 6.076 5.995 -12.587 1.00 43.43 H new ATOM 0 HB THR A 77 7.472 4.171 -10.612 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.159 6.067 -9.272 1.00 24.34 H new ATOM 0 HG21 THR A 77 9.254 5.863 -10.406 1.00 61.23 H new ATOM 0 HG22 THR A 77 9.225 5.132 -12.029 1.00 61.23 H new ATOM 0 HG23 THR A 77 8.554 6.760 -11.775 1.00 61.23 H new ATOM 1194 N LEU A 78 7.585 3.226 -13.530 1.00 61.23 N ATOM 1195 CA LEU A 78 8.430 2.634 -14.561 1.00 64.41 C ATOM 1196 C LEU A 78 7.731 1.453 -15.226 1.00 4.21 C ATOM 1197 O LEU A 78 6.688 0.993 -14.762 1.00 64.35 O ATOM 1198 CB LEU A 78 9.761 2.180 -13.958 1.00 40.00 C ATOM 1199 CG LEU A 78 11.007 2.917 -14.453 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.109 2.835 -15.968 1.00 21.42 C ATOM 1201 CD2 LEU A 78 10.986 4.368 -13.996 1.00 52.03 C ATOM 0 H LEU A 78 7.161 2.551 -12.894 1.00 61.23 H new ATOM 0 HA LEU A 78 8.621 3.393 -15.320 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.703 2.291 -12.875 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.886 1.117 -14.163 1.00 40.00 H new ATOM 0 HG LEU A 78 11.885 2.435 -14.023 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.001 3.365 -16.302 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.172 1.790 -16.272 1.00 21.42 H new ATOM 0 HD13 LEU A 78 10.227 3.291 -16.417 1.00 21.42 H new ATOM 0 HD21 LEU A 78 11.880 4.876 -14.357 1.00 52.03 H new ATOM 0 HD22 LEU A 78 10.101 4.863 -14.396 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.962 4.406 -12.907 1.00 52.03 H new ATOM 1213 N THR A 79 8.315 0.963 -16.316 1.00 53.44 N ATOM 1214 CA THR A 79 7.749 -0.164 -17.044 1.00 2.24 C ATOM 1215 C THR A 79 8.738 -1.321 -17.120 1.00 31.21 C ATOM 1216 O THR A 79 9.951 -1.120 -17.056 1.00 53.42 O ATOM 1217 CB THR A 79 7.339 0.239 -18.473 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.504 0.525 -19.256 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.426 1.455 -18.451 1.00 71.32 C ATOM 0 H THR A 79 9.180 1.330 -16.713 1.00 53.44 H new ATOM 0 HA THR A 79 6.862 -0.482 -16.495 1.00 2.24 H new ATOM 0 HB THR A 79 6.798 -0.595 -18.920 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.234 0.779 -20.163 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.150 1.721 -19.471 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.527 1.224 -17.880 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.946 2.292 -17.986 1.00 71.32 H new ATOM 1227 N VAL A 80 8.213 -2.535 -17.257 1.00 5.33 N ATOM 1228 CA VAL A 80 9.051 -3.725 -17.343 1.00 10.20 C ATOM 1229 C VAL A 80 10.133 -3.560 -18.403 1.00 63.11 C ATOM 1230 O VAL A 80 11.268 -3.998 -18.220 1.00 72.02 O ATOM 1231 CB VAL A 80 8.214 -4.977 -17.669 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.112 -6.198 -17.808 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.155 -5.203 -16.601 1.00 54.23 C ATOM 0 H VAL A 80 7.211 -2.720 -17.311 1.00 5.33 H new ATOM 0 HA VAL A 80 9.520 -3.854 -16.368 1.00 10.20 H new ATOM 0 HB VAL A 80 7.708 -4.817 -18.621 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.504 -7.073 -18.038 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.829 -6.033 -18.612 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.647 -6.364 -16.873 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.573 -6.091 -16.848 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.638 -5.342 -15.634 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.494 -4.338 -16.555 1.00 54.23 H new ATOM 1243 N GLY A 81 9.774 -2.924 -19.514 1.00 1.42 N ATOM 1244 CA GLY A 81 10.726 -2.711 -20.588 1.00 4.53 C ATOM 1245 C GLY A 81 11.973 -1.984 -20.123 1.00 72.43 C ATOM 1246 O GLY A 81 13.091 -2.447 -20.349 1.00 54.32 O ATOM 0 H GLY A 81 8.840 -2.552 -19.689 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.008 -3.673 -21.015 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.250 -2.137 -21.383 1.00 4.53 H new ATOM 1250 N ASP A 82 11.781 -0.841 -19.472 1.00 14.13 N ATOM 1251 CA ASP A 82 12.898 -0.049 -18.975 1.00 21.43 C ATOM 1252 C ASP A 82 13.681 -0.817 -17.914 1.00 23.42 C ATOM 1253 O ASP A 82 14.911 -0.834 -17.926 1.00 72.21 O ATOM 1254 CB ASP A 82 12.395 1.275 -18.395 1.00 22.14 C ATOM 1255 CG ASP A 82 12.700 2.455 -19.296 1.00 13.02 C ATOM 1256 OD1 ASP A 82 12.572 2.309 -20.530 1.00 14.15 O ATOM 1257 OD2 ASP A 82 13.066 3.525 -18.768 1.00 41.32 O1- ATOM 0 H ASP A 82 10.862 -0.444 -19.277 1.00 14.13 H new ATOM 0 HA ASP A 82 13.564 0.159 -19.813 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.319 1.213 -18.235 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.853 1.438 -17.420 1.00 22.14 H new ATOM 1262 N ALA A 83 12.957 -1.453 -16.998 1.00 45.42 N ATOM 1263 CA ALA A 83 13.584 -2.224 -15.931 1.00 21.54 C ATOM 1264 C ALA A 83 14.415 -3.370 -16.498 1.00 74.42 C ATOM 1265 O ALA A 83 15.459 -3.723 -15.948 1.00 71.11 O ATOM 1266 CB ALA A 83 12.527 -2.758 -14.976 1.00 12.34 C ATOM 0 H ALA A 83 11.937 -1.449 -16.973 1.00 45.42 H new ATOM 0 HA ALA A 83 14.253 -1.562 -15.382 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.009 -3.332 -14.184 1.00 12.34 H new ATOM 0 HB2 ALA A 83 11.978 -1.924 -14.538 1.00 12.34 H new ATOM 0 HB3 ALA A 83 11.836 -3.401 -15.521 1.00 12.34 H new ATOM 1272 N LEU A 84 13.947 -3.947 -17.598 1.00 41.30 N ATOM 1273 CA LEU A 84 14.648 -5.054 -18.239 1.00 72.41 C ATOM 1274 C LEU A 84 16.058 -4.642 -18.648 1.00 23.24 C ATOM 1275 O LEU A 84 17.035 -5.315 -18.317 1.00 61.34 O ATOM 1276 CB LEU A 84 13.869 -5.535 -19.464 1.00 54.12 C ATOM 1277 CG LEU A 84 13.520 -7.024 -19.496 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.776 -7.864 -19.668 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.778 -7.424 -18.229 1.00 24.15 C ATOM 0 H LEU A 84 13.085 -3.667 -18.065 1.00 41.30 H new ATOM 0 HA LEU A 84 14.723 -5.870 -17.520 1.00 72.41 H new ATOM 0 HB2 LEU A 84 12.943 -4.964 -19.528 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.451 -5.300 -20.355 1.00 54.12 H new ATOM 0 HG LEU A 84 12.867 -7.206 -20.349 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.507 -8.920 -19.688 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.267 -7.596 -20.603 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.455 -7.678 -18.836 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.537 -8.486 -18.268 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.407 -7.226 -17.361 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.857 -6.846 -18.149 1.00 24.15 H new ATOM 1291 N LYS A 85 16.158 -3.531 -19.369 1.00 13.23 N ATOM 1292 CA LYS A 85 17.449 -3.025 -19.821 1.00 53.44 C ATOM 1293 C LYS A 85 18.410 -2.859 -18.649 1.00 73.11 C ATOM 1294 O LYS A 85 19.564 -3.280 -18.717 1.00 1.12 O ATOM 1295 CB LYS A 85 17.271 -1.687 -20.542 1.00 25.42 C ATOM 1296 CG LYS A 85 17.767 -1.698 -21.978 1.00 52.24 C ATOM 1297 CD LYS A 85 19.280 -1.571 -22.046 1.00 12.13 C ATOM 1298 CE LYS A 85 19.883 -2.597 -22.993 1.00 30.01 C ATOM 1299 NZ LYS A 85 21.166 -2.122 -23.582 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.360 -2.963 -19.653 1.00 13.23 H new ATOM 0 HA LYS A 85 17.873 -3.751 -20.514 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.215 -1.417 -20.533 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.802 -0.912 -19.989 1.00 25.42 H new ATOM 0 HG2 LYS A 85 17.456 -2.623 -22.464 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.307 -0.878 -22.529 1.00 52.24 H new ATOM 0 HD2 LYS A 85 19.548 -0.567 -22.377 1.00 12.13 H new ATOM 0 HD3 LYS A 85 19.702 -1.701 -21.050 1.00 12.13 H new ATOM 0 HE2 LYS A 85 20.053 -3.530 -22.456 1.00 30.01 H new ATOM 0 HE3 LYS A 85 19.175 -2.814 -23.793 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 21.545 -2.849 -24.221 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 20.999 -1.245 -24.115 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 21.851 -1.939 -22.821 1.00 0.02 H new ATOM 1313 N GLN A 86 17.925 -2.245 -17.574 1.00 11.43 N ATOM 1314 CA GLN A 86 18.742 -2.026 -16.386 1.00 53.23 C ATOM 1315 C GLN A 86 19.147 -3.352 -15.752 1.00 21.22 C ATOM 1316 O GLN A 86 20.204 -3.457 -15.132 1.00 41.42 O ATOM 1317 CB GLN A 86 17.982 -1.172 -15.370 1.00 12.42 C ATOM 1318 CG GLN A 86 17.429 0.119 -15.953 1.00 73.05 C ATOM 1319 CD GLN A 86 17.222 1.193 -14.902 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.159 1.901 -14.530 1.00 72.11 O ATOM 1321 NE2 GLN A 86 15.993 1.318 -14.417 1.00 61.43 N ATOM 0 H GLN A 86 16.971 -1.891 -17.501 1.00 11.43 H new ATOM 0 HA GLN A 86 19.646 -1.499 -16.689 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.159 -1.757 -14.959 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.647 -0.931 -14.541 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.112 0.490 -16.717 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.480 -0.087 -16.448 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.247 0.710 -14.755 1.00 61.43 H new ATOM 0 HE22 GLN A 86 15.794 2.023 -13.707 1.00 61.43 H new ATOM 1330 N GLY A 87 18.298 -4.363 -15.912 1.00 0.43 N ATOM 1331 CA GLY A 87 18.586 -5.669 -15.348 1.00 2.32 C ATOM 1332 C GLY A 87 17.992 -5.848 -13.965 1.00 44.42 C ATOM 1333 O GLY A 87 18.599 -6.472 -13.096 1.00 32.22 O ATOM 0 H GLY A 87 17.417 -4.301 -16.422 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.195 -6.441 -16.010 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.666 -5.809 -15.297 1.00 2.32 H new ATOM 1337 N LYS A 88 16.800 -5.295 -13.759 1.00 21.33 N ATOM 1338 CA LYS A 88 16.123 -5.395 -12.472 1.00 11.34 C ATOM 1339 C LYS A 88 15.504 -6.778 -12.289 1.00 1.12 C ATOM 1340 O LYS A 88 15.441 -7.296 -11.174 1.00 61.44 O ATOM 1341 CB LYS A 88 15.040 -4.320 -12.357 1.00 75.34 C ATOM 1342 CG LYS A 88 15.549 -2.914 -12.621 1.00 24.51 C ATOM 1343 CD LYS A 88 16.182 -2.309 -11.378 1.00 73.13 C ATOM 1344 CE LYS A 88 17.613 -1.866 -11.641 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.222 -1.221 -10.446 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.284 -4.773 -14.467 1.00 21.33 H new ATOM 0 HA LYS A 88 16.863 -5.241 -11.687 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.239 -4.546 -13.061 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.606 -4.359 -11.358 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.280 -2.936 -13.429 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.724 -2.284 -12.954 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.591 -1.455 -11.046 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.169 -3.040 -10.569 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.212 -2.728 -11.933 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.629 -1.168 -12.478 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 19.197 -0.933 -10.666 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.665 -0.383 -10.182 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.230 -1.895 -9.654 1.00 30.44 H new ATOM 1359 N ILE A 89 15.050 -7.368 -13.389 1.00 4.34 N ATOM 1360 CA ILE A 89 14.439 -8.690 -13.349 1.00 61.10 C ATOM 1361 C ILE A 89 15.446 -9.773 -13.719 1.00 40.34 C ATOM 1362 O ILE A 89 16.103 -9.694 -14.757 1.00 73.31 O ATOM 1363 CB ILE A 89 13.231 -8.782 -14.302 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.401 -7.498 -14.231 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.377 -9.993 -13.959 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.280 -7.448 -15.245 1.00 63.11 C ATOM 0 H ILE A 89 15.094 -6.951 -14.319 1.00 4.34 H new ATOM 0 HA ILE A 89 14.098 -8.848 -12.326 1.00 61.10 H new ATOM 0 HB ILE A 89 13.598 -8.899 -15.322 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.980 -7.402 -13.230 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.057 -6.641 -14.384 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.528 -10.044 -14.641 1.00 22.12 H new ATOM 0 HG22 ILE A 89 12.975 -10.899 -14.056 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.015 -9.905 -12.935 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.734 -6.511 -15.138 1.00 63.11 H new ATOM 0 HD12 ILE A 89 11.696 -7.512 -16.251 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.601 -8.285 -15.079 1.00 63.11 H new ATOM 1378 N GLU A 90 15.561 -10.784 -12.864 1.00 44.31 N ATOM 1379 CA GLU A 90 16.489 -11.884 -13.102 1.00 3.44 C ATOM 1380 C GLU A 90 15.796 -13.032 -13.830 1.00 63.21 C ATOM 1381 O GLU A 90 14.601 -13.266 -13.647 1.00 12.42 O ATOM 1382 CB GLU A 90 17.073 -12.383 -11.778 1.00 21.54 C ATOM 1383 CG GLU A 90 18.557 -12.096 -11.621 1.00 21.32 C ATOM 1384 CD GLU A 90 19.359 -13.336 -11.278 1.00 53.14 C ATOM 1385 OE1 GLU A 90 20.058 -13.323 -10.244 1.00 2.24 O ATOM 1386 OE2 GLU A 90 19.288 -14.319 -12.045 1.00 73.11 O1- ATOM 0 H GLU A 90 15.024 -10.864 -12.001 1.00 44.31 H new ATOM 0 HA GLU A 90 17.298 -11.514 -13.731 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.532 -11.918 -10.954 1.00 21.54 H new ATOM 0 HB3 GLU A 90 16.909 -13.458 -11.700 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.940 -11.665 -12.546 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.698 -11.349 -10.840 1.00 21.32 H new ATOM 1393 N LEU A 91 16.555 -13.744 -14.656 1.00 41.35 N ATOM 1394 CA LEU A 91 16.015 -14.868 -15.413 1.00 12.31 C ATOM 1395 C LEU A 91 16.647 -16.181 -14.964 1.00 71.23 C ATOM 1396 O LEU A 91 17.868 -16.338 -15.001 1.00 24.34 O ATOM 1397 CB LEU A 91 16.251 -14.660 -16.911 1.00 34.35 C ATOM 1398 CG LEU A 91 15.740 -13.343 -17.494 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.177 -13.196 -18.944 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.224 -13.262 -17.382 1.00 15.23 C ATOM 0 H LEU A 91 17.546 -13.563 -14.818 1.00 41.35 H new ATOM 0 HA LEU A 91 14.943 -14.920 -15.224 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.322 -14.728 -17.103 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.778 -15.481 -17.450 1.00 34.35 H new ATOM 0 HG LEU A 91 16.171 -12.523 -16.920 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.804 -12.253 -19.343 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.266 -13.208 -18.999 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.775 -14.022 -19.531 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.878 -12.318 -17.802 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.774 -14.090 -17.930 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.933 -13.321 -16.333 1.00 15.23 H new ATOM 1412 N SER A 92 15.809 -17.122 -14.542 1.00 62.30 N ATOM 1413 CA SER A 92 16.287 -18.422 -14.084 1.00 12.01 C ATOM 1414 C SER A 92 15.405 -19.545 -14.623 1.00 53.43 C ATOM 1415 O SER A 92 14.249 -19.685 -14.228 1.00 42.11 O ATOM 1416 CB SER A 92 16.315 -18.469 -12.555 1.00 32.04 C ATOM 1417 OG SER A 92 15.936 -17.222 -12.000 1.00 24.24 O ATOM 0 H SER A 92 14.796 -17.009 -14.508 1.00 62.30 H new ATOM 0 HA SER A 92 17.299 -18.564 -14.463 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.641 -19.249 -12.200 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.316 -18.733 -12.214 1.00 32.04 H new ATOM 0 HG SER A 92 14.995 -17.044 -12.207 1.00 24.24 H new ATOM 1423 N GLY A 93 15.962 -20.343 -15.528 1.00 72.14 N ATOM 1424 CA GLY A 93 15.215 -21.443 -16.108 1.00 41.14 C ATOM 1425 C GLY A 93 14.972 -21.262 -17.592 1.00 52.41 C ATOM 1426 O GLY A 93 15.770 -21.708 -18.418 1.00 72.03 O ATOM 0 H GLY A 93 16.918 -20.247 -15.870 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.758 -22.373 -15.943 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.258 -21.538 -15.595 1.00 41.14 H new ATOM 1430 N ASP A 94 13.868 -20.606 -17.934 1.00 50.01 N ATOM 1431 CA ASP A 94 13.522 -20.368 -19.331 1.00 42.00 C ATOM 1432 C ASP A 94 13.209 -18.894 -19.568 1.00 61.22 C ATOM 1433 O ASP A 94 12.092 -18.438 -19.320 1.00 24.31 O ATOM 1434 CB ASP A 94 12.325 -21.228 -19.737 1.00 44.20 C ATOM 1435 CG ASP A 94 12.624 -22.111 -20.933 1.00 62.13 C ATOM 1436 OD1 ASP A 94 12.526 -23.348 -20.796 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.955 -21.562 -22.005 1.00 42.01 O1- ATOM 0 H ASP A 94 13.198 -20.230 -17.263 1.00 50.01 H new ATOM 0 HA ASP A 94 14.380 -20.643 -19.944 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.027 -21.852 -18.894 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.479 -20.581 -19.969 1.00 44.20 H new ATOM 1442 N ALA A 95 14.201 -18.153 -20.049 1.00 52.22 N ATOM 1443 CA ALA A 95 14.032 -16.730 -20.320 1.00 61.03 C ATOM 1444 C ALA A 95 12.945 -16.498 -21.364 1.00 63.24 C ATOM 1445 O ALA A 95 12.274 -15.465 -21.356 1.00 24.01 O ATOM 1446 CB ALA A 95 15.347 -16.120 -20.780 1.00 22.22 C ATOM 0 H ALA A 95 15.131 -18.514 -20.259 1.00 52.22 H new ATOM 0 HA ALA A 95 13.723 -16.242 -19.395 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.206 -15.058 -20.979 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.099 -16.247 -20.001 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.680 -16.618 -21.690 1.00 22.22 H new ATOM 1452 N ASP A 96 12.776 -17.462 -22.261 1.00 31.21 N ATOM 1453 CA ASP A 96 11.769 -17.362 -23.312 1.00 63.04 C ATOM 1454 C ASP A 96 10.368 -17.273 -22.715 1.00 71.11 C ATOM 1455 O ASP A 96 9.578 -16.403 -23.083 1.00 42.54 O ATOM 1456 CB ASP A 96 11.862 -18.564 -24.253 1.00 13.52 C ATOM 1457 CG ASP A 96 11.694 -18.173 -25.708 1.00 14.13 C ATOM 1458 OD1 ASP A 96 10.845 -18.782 -26.393 1.00 42.02 O ATOM 1459 OD2 ASP A 96 12.413 -17.259 -26.163 1.00 51.14 O1- ATOM 0 H ASP A 96 13.323 -18.323 -22.282 1.00 31.21 H new ATOM 0 HA ASP A 96 11.960 -16.451 -23.880 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.827 -19.052 -24.120 1.00 13.52 H new ATOM 0 HB3 ASP A 96 11.097 -19.292 -23.985 1.00 13.52 H new ATOM 1464 N LEU A 97 10.064 -18.181 -21.793 1.00 21.24 N ATOM 1465 CA LEU A 97 8.758 -18.206 -21.146 1.00 53.03 C ATOM 1466 C LEU A 97 8.476 -16.886 -20.435 1.00 34.03 C ATOM 1467 O LEU A 97 7.401 -16.306 -20.586 1.00 22.40 O ATOM 1468 CB LEU A 97 8.685 -19.362 -20.146 1.00 23.04 C ATOM 1469 CG LEU A 97 7.718 -20.493 -20.497 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.759 -21.580 -19.433 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.304 -19.955 -20.658 1.00 13.34 C ATOM 0 H LEU A 97 10.705 -18.909 -21.477 1.00 21.24 H new ATOM 0 HA LEU A 97 8.001 -18.351 -21.917 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.684 -19.785 -20.037 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.402 -18.958 -19.174 1.00 23.04 H new ATOM 0 HG LEU A 97 8.029 -20.930 -21.446 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.064 -22.377 -19.700 1.00 33.50 H new ATOM 0 HD12 LEU A 97 8.768 -21.986 -19.366 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.474 -21.157 -18.470 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.629 -20.774 -20.908 1.00 13.34 H new ATOM 0 HD22 LEU A 97 5.983 -19.492 -19.725 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.286 -19.213 -21.457 1.00 13.34 H new ATOM 1483 N ALA A 98 9.449 -16.416 -19.663 1.00 51.02 N ATOM 1484 CA ALA A 98 9.307 -15.162 -18.934 1.00 72.21 C ATOM 1485 C ALA A 98 9.183 -13.981 -19.890 1.00 74.34 C ATOM 1486 O ALA A 98 8.318 -13.122 -19.722 1.00 70.15 O ATOM 1487 CB ALA A 98 10.487 -14.961 -17.994 1.00 43.44 C ATOM 0 H ALA A 98 10.345 -16.885 -19.526 1.00 51.02 H new ATOM 0 HA ALA A 98 8.392 -15.216 -18.345 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.368 -14.021 -17.456 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.528 -15.784 -17.281 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.411 -14.934 -18.571 1.00 43.44 H new ATOM 1493 N ALA A 99 10.052 -13.946 -20.895 1.00 41.25 N ATOM 1494 CA ALA A 99 10.039 -12.870 -21.879 1.00 41.24 C ATOM 1495 C ALA A 99 8.645 -12.686 -22.472 1.00 64.45 C ATOM 1496 O ALA A 99 8.261 -11.580 -22.851 1.00 63.22 O ATOM 1497 CB ALA A 99 11.050 -13.150 -22.980 1.00 14.33 C ATOM 0 H ALA A 99 10.774 -14.650 -21.049 1.00 41.25 H new ATOM 0 HA ALA A 99 10.316 -11.945 -21.374 1.00 41.24 H new ATOM 0 HB1 ALA A 99 11.030 -12.339 -23.708 1.00 14.33 H new ATOM 0 HB2 ALA A 99 12.048 -13.224 -22.547 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.798 -14.088 -23.475 1.00 14.33 H new ATOM 1503 N LYS A 100 7.892 -13.779 -22.550 1.00 1.23 N ATOM 1504 CA LYS A 100 6.541 -13.739 -23.096 1.00 72.44 C ATOM 1505 C LYS A 100 5.600 -12.978 -22.167 1.00 13.34 C ATOM 1506 O LYS A 100 4.683 -12.293 -22.620 1.00 61.21 O ATOM 1507 CB LYS A 100 6.016 -15.160 -23.319 1.00 31.43 C ATOM 1508 CG LYS A 100 4.579 -15.207 -23.808 1.00 4.53 C ATOM 1509 CD LYS A 100 4.472 -15.911 -25.152 1.00 22.41 C ATOM 1510 CE LYS A 100 3.060 -15.832 -25.710 1.00 35.11 C ATOM 1511 NZ LYS A 100 2.425 -17.176 -25.805 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.195 -14.703 -22.242 1.00 1.23 H new ATOM 0 HA LYS A 100 6.579 -13.218 -24.053 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.654 -15.665 -24.044 1.00 31.43 H new ATOM 0 HB3 LYS A 100 6.092 -15.717 -22.385 1.00 31.43 H new ATOM 0 HG2 LYS A 100 3.960 -15.724 -23.075 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.189 -14.193 -23.895 1.00 4.53 H new ATOM 0 HD2 LYS A 100 5.169 -15.459 -25.857 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.763 -16.956 -25.041 1.00 22.41 H new ATOM 0 HE2 LYS A 100 2.453 -15.188 -25.073 1.00 35.11 H new ATOM 0 HE3 LYS A 100 3.085 -15.372 -26.698 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 1.464 -17.079 -26.190 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 2.990 -17.783 -26.433 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 2.378 -17.605 -24.859 1.00 40.13 H new ATOM 1525 N LEU A 101 5.836 -13.102 -20.865 1.00 12.30 N ATOM 1526 CA LEU A 101 5.009 -12.424 -19.872 1.00 3.23 C ATOM 1527 C LEU A 101 5.069 -10.911 -20.055 1.00 62.45 C ATOM 1528 O LEU A 101 4.038 -10.249 -20.173 1.00 14.21 O ATOM 1529 CB LEU A 101 5.467 -12.797 -18.460 1.00 62.20 C ATOM 1530 CG LEU A 101 4.479 -13.618 -17.630 1.00 45.40 C ATOM 1531 CD1 LEU A 101 5.019 -13.841 -16.226 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.124 -12.928 -17.579 1.00 34.24 C ATOM 0 H LEU A 101 6.591 -13.664 -20.473 1.00 12.30 H new ATOM 0 HA LEU A 101 3.977 -12.747 -20.011 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.399 -13.357 -18.538 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.691 -11.879 -17.918 1.00 62.20 H new ATOM 0 HG LEU A 101 4.352 -14.590 -18.107 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.303 -14.427 -15.650 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.966 -14.378 -16.281 1.00 50.44 H new ATOM 0 HD13 LEU A 101 5.176 -12.878 -15.739 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.433 -13.526 -16.984 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.234 -11.943 -17.126 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.732 -12.820 -18.590 1.00 34.24 H new ATOM 1544 N ALA A 102 6.282 -10.370 -20.079 1.00 31.42 N ATOM 1545 CA ALA A 102 6.476 -8.936 -20.252 1.00 1.32 C ATOM 1546 C ALA A 102 5.669 -8.411 -21.435 1.00 62.44 C ATOM 1547 O ALA A 102 5.247 -7.256 -21.446 1.00 20.35 O ATOM 1548 CB ALA A 102 7.953 -8.622 -20.438 1.00 64.24 C ATOM 0 H ALA A 102 7.146 -10.903 -19.981 1.00 31.42 H new ATOM 0 HA ALA A 102 6.119 -8.435 -19.352 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.083 -7.547 -20.566 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.509 -8.953 -19.561 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.327 -9.141 -21.321 1.00 64.24 H new ATOM 1554 N GLU A 103 5.459 -9.269 -22.429 1.00 45.13 N ATOM 1555 CA GLU A 103 4.704 -8.889 -23.617 1.00 0.13 C ATOM 1556 C GLU A 103 3.305 -8.409 -23.241 1.00 54.13 C ATOM 1557 O GLU A 103 2.839 -7.377 -23.726 1.00 43.44 O ATOM 1558 CB GLU A 103 4.607 -10.070 -24.586 1.00 65.34 C ATOM 1559 CG GLU A 103 5.937 -10.757 -24.843 1.00 71.40 C ATOM 1560 CD GLU A 103 5.858 -11.787 -25.953 1.00 43.23 C ATOM 1561 OE1 GLU A 103 4.739 -12.041 -26.447 1.00 35.33 O ATOM 1562 OE2 GLU A 103 6.913 -12.339 -26.328 1.00 44.42 O1- ATOM 0 H GLU A 103 5.801 -10.230 -22.435 1.00 45.13 H new ATOM 0 HA GLU A 103 5.232 -8.070 -24.106 1.00 0.13 H new ATOM 0 HB2 GLU A 103 3.902 -10.799 -24.187 1.00 65.34 H new ATOM 0 HB3 GLU A 103 4.200 -9.719 -25.534 1.00 65.34 H new ATOM 0 HG2 GLU A 103 6.685 -10.007 -25.101 1.00 71.40 H new ATOM 0 HG3 GLU A 103 6.274 -11.241 -23.927 1.00 71.40 H new ATOM 1569 N VAL A 104 2.639 -9.166 -22.376 1.00 33.41 N ATOM 1570 CA VAL A 104 1.293 -8.819 -21.934 1.00 23.33 C ATOM 1571 C VAL A 104 1.324 -7.680 -20.921 1.00 20.50 C ATOM 1572 O VAL A 104 0.322 -6.996 -20.710 1.00 4.15 O ATOM 1573 CB VAL A 104 0.578 -10.030 -21.306 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.941 -10.161 -19.835 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -0.928 -9.910 -21.483 1.00 43.11 C ATOM 0 H VAL A 104 3.009 -10.024 -21.967 1.00 33.41 H new ATOM 0 HA VAL A 104 0.742 -8.500 -22.819 1.00 23.33 H new ATOM 0 HB VAL A 104 0.911 -10.932 -21.819 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.426 -11.022 -19.409 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.018 -10.297 -19.737 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.639 -9.258 -19.304 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.417 -10.774 -21.033 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.280 -9.000 -20.997 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -1.167 -9.870 -22.546 1.00 43.11 H new ATOM 1585 N ILE A 105 2.480 -7.482 -20.297 1.00 64.50 N ATOM 1586 CA ILE A 105 2.643 -6.424 -19.307 1.00 64.45 C ATOM 1587 C ILE A 105 2.708 -5.054 -19.973 1.00 25.40 C ATOM 1588 O ILE A 105 2.219 -4.063 -19.428 1.00 74.01 O ATOM 1589 CB ILE A 105 3.913 -6.634 -18.463 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.837 -7.963 -17.709 1.00 71.41 C ATOM 1591 CG2 ILE A 105 4.100 -5.477 -17.491 1.00 10.31 C ATOM 1592 CD1 ILE A 105 5.100 -8.299 -16.948 1.00 20.20 C ATOM 0 H ILE A 105 3.318 -8.040 -20.459 1.00 64.50 H new ATOM 0 HA ILE A 105 1.772 -6.466 -18.653 1.00 64.45 H new ATOM 0 HB ILE A 105 4.774 -6.666 -19.131 1.00 25.25 H new ATOM 0 HG12 ILE A 105 3.000 -7.928 -17.011 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.627 -8.763 -18.419 1.00 71.41 H new ATOM 0 HG21 ILE A 105 5.002 -5.640 -16.901 1.00 10.31 H new ATOM 0 HG22 ILE A 105 4.194 -4.545 -18.048 1.00 10.31 H new ATOM 0 HG23 ILE A 105 3.238 -5.417 -16.827 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.974 -9.254 -16.438 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.937 -8.366 -17.643 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.301 -7.519 -16.214 1.00 20.20 H new