USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 791 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 64 ASN : amide:sc= 0.267 K(o=0.75,f=-1.9) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 176:sc= 0.483 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.217) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= -0.0059 (180deg=-0.15) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.172 F(o=-1.2,f=-0.17) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0669 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -126:sc= -2.29 (180deg=-7.05!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.0437 X(o=0.044,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 139:sc= -0.345 (180deg=-2.16!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.078 (180deg=-0.567) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -65:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0161 (180deg=-0.233) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 140:sc= -0.644 (180deg=-2.71!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.723 K(o=-0.72,f=-3.7!) USER MOD Single : A 96 LYS NZ :NH3+ -120:sc= 0.229 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.655 -4.474 -3.861 1.00 10.42 N ATOM 2 CA MET A 1 4.559 -5.588 -3.601 1.00 42.13 C ATOM 3 C MET A 1 3.796 -6.793 -3.060 1.00 50.32 C ATOM 4 O MET A 1 3.960 -7.174 -1.902 1.00 3.13 O ATOM 5 CB MET A 1 5.646 -5.170 -2.609 1.00 20.21 C ATOM 6 CG MET A 1 6.360 -3.885 -2.995 1.00 10.01 C ATOM 7 SD MET A 1 7.987 -3.738 -2.232 1.00 30.03 S ATOM 8 CE MET A 1 7.952 -2.033 -1.685 1.00 51.33 C ATOM 0 H1 MET A 1 4.147 -3.753 -4.426 1.00 10.42 H new ATOM 0 H2 MET A 1 2.824 -4.816 -4.384 1.00 10.42 H new ATOM 0 H3 MET A 1 3.349 -4.057 -2.959 1.00 10.42 H new ATOM 0 HA MET A 1 5.027 -5.871 -4.544 1.00 42.13 H new ATOM 0 HB2 MET A 1 5.198 -5.045 -1.623 1.00 20.21 H new ATOM 0 HB3 MET A 1 6.379 -5.972 -2.526 1.00 20.21 H new ATOM 0 HG2 MET A 1 6.466 -3.845 -4.079 1.00 10.01 H new ATOM 0 HG3 MET A 1 5.748 -3.032 -2.703 1.00 10.01 H new ATOM 0 HE1 MET A 1 8.893 -1.790 -1.192 1.00 51.33 H new ATOM 0 HE2 MET A 1 7.813 -1.378 -2.545 1.00 51.33 H new ATOM 0 HE3 MET A 1 7.128 -1.892 -0.985 1.00 51.33 H new ATOM 18 N ALA A 2 2.961 -7.387 -3.906 1.00 63.51 N ATOM 19 CA ALA A 2 2.174 -8.550 -3.513 1.00 5.33 C ATOM 20 C ALA A 2 3.001 -9.828 -3.601 1.00 42.05 C ATOM 21 O ALA A 2 4.170 -9.798 -3.985 1.00 53.32 O ATOM 22 CB ALA A 2 0.930 -8.663 -4.380 1.00 53.43 C ATOM 0 H ALA A 2 2.812 -7.082 -4.868 1.00 63.51 H new ATOM 0 HA ALA A 2 1.869 -8.417 -2.475 1.00 5.33 H new ATOM 0 HB1 ALA A 2 0.352 -9.536 -4.075 1.00 53.43 H new ATOM 0 HB2 ALA A 2 0.322 -7.766 -4.263 1.00 53.43 H new ATOM 0 HB3 ALA A 2 1.223 -8.768 -5.425 1.00 53.43 H new ATOM 28 N GLY A 3 2.386 -10.951 -3.243 1.00 65.31 N ATOM 29 CA GLY A 3 3.082 -12.224 -3.289 1.00 35.42 C ATOM 30 C GLY A 3 3.964 -12.447 -2.077 1.00 4.31 C ATOM 31 O GLY A 3 5.101 -12.900 -2.204 1.00 24.22 O ATOM 0 H GLY A 3 1.419 -11.002 -2.922 1.00 65.31 H new ATOM 0 HA2 GLY A 3 2.353 -13.031 -3.357 1.00 35.42 H new ATOM 0 HA3 GLY A 3 3.692 -12.269 -4.191 1.00 35.42 H new ATOM 35 N ALA A 4 3.441 -12.125 -0.898 1.00 70.24 N ATOM 36 CA ALA A 4 4.189 -12.293 0.341 1.00 3.22 C ATOM 37 C ALA A 4 3.888 -13.641 0.986 1.00 22.41 C ATOM 38 O ALA A 4 4.725 -14.203 1.693 1.00 10.43 O ATOM 39 CB ALA A 4 3.871 -11.161 1.307 1.00 41.11 C ATOM 0 H ALA A 4 2.502 -11.746 -0.776 1.00 70.24 H new ATOM 0 HA ALA A 4 5.252 -12.264 0.101 1.00 3.22 H new ATOM 0 HB1 ALA A 4 4.437 -11.299 2.228 1.00 41.11 H new ATOM 0 HB2 ALA A 4 4.144 -10.208 0.853 1.00 41.11 H new ATOM 0 HB3 ALA A 4 2.805 -11.164 1.532 1.00 41.11 H new ATOM 45 N SER A 5 2.688 -14.156 0.738 1.00 10.02 N ATOM 46 CA SER A 5 2.275 -15.437 1.299 1.00 71.21 C ATOM 47 C SER A 5 2.236 -15.376 2.823 1.00 54.12 C ATOM 48 O SER A 5 2.595 -16.337 3.503 1.00 4.22 O ATOM 49 CB SER A 5 3.226 -16.546 0.846 1.00 23.51 C ATOM 50 OG SER A 5 2.568 -17.801 0.813 1.00 10.12 O ATOM 0 H SER A 5 1.985 -13.706 0.152 1.00 10.02 H new ATOM 0 HA SER A 5 1.271 -15.658 0.936 1.00 71.21 H new ATOM 0 HB2 SER A 5 3.618 -16.311 -0.144 1.00 23.51 H new ATOM 0 HB3 SER A 5 4.079 -16.597 1.523 1.00 23.51 H new ATOM 0 HG SER A 5 3.197 -18.493 0.519 1.00 10.12 H new ATOM 56 N ASP A 6 1.796 -14.239 3.352 1.00 61.35 N ATOM 57 CA ASP A 6 1.708 -14.051 4.795 1.00 61.20 C ATOM 58 C ASP A 6 0.253 -13.944 5.241 1.00 3.13 C ATOM 59 O ASP A 6 -0.155 -14.572 6.218 1.00 25.32 O ATOM 60 CB ASP A 6 2.477 -12.798 5.215 1.00 2.23 C ATOM 61 CG ASP A 6 2.521 -12.623 6.721 1.00 65.34 C ATOM 62 OD1 ASP A 6 3.452 -13.165 7.354 1.00 34.31 O ATOM 63 OD2 ASP A 6 1.626 -11.944 7.265 1.00 5.02 O ATOM 0 H ASP A 6 1.495 -13.434 2.803 1.00 61.35 H new ATOM 0 HA ASP A 6 2.154 -14.920 5.278 1.00 61.20 H new ATOM 0 HB2 ASP A 6 3.495 -12.853 4.829 1.00 2.23 H new ATOM 0 HB3 ASP A 6 2.012 -11.922 4.764 1.00 2.23 H new ATOM 68 N ARG A 7 -0.524 -13.143 4.520 1.00 51.02 N ATOM 69 CA ARG A 7 -1.933 -12.951 4.843 1.00 62.50 C ATOM 70 C ARG A 7 -2.825 -13.615 3.798 1.00 33.33 C ATOM 71 O ARG A 7 -2.341 -14.149 2.800 1.00 64.20 O ATOM 72 CB ARG A 7 -2.259 -11.460 4.934 1.00 1.41 C ATOM 73 CG ARG A 7 -1.398 -10.708 5.937 1.00 73.25 C ATOM 74 CD ARG A 7 -1.208 -9.256 5.529 1.00 41.41 C ATOM 75 NE ARG A 7 -0.316 -8.544 6.440 1.00 11.34 N ATOM 76 CZ ARG A 7 1.006 -8.669 6.422 1.00 22.22 C ATOM 77 NH1 ARG A 7 1.587 -9.474 5.543 1.00 31.45 N ATOM 78 NH2 ARG A 7 1.750 -7.988 7.284 1.00 44.21 N ATOM 0 H ARG A 7 -0.202 -12.616 3.708 1.00 51.02 H new ATOM 0 HA ARG A 7 -2.125 -13.417 5.809 1.00 62.50 H new ATOM 0 HB2 ARG A 7 -2.134 -11.009 3.950 1.00 1.41 H new ATOM 0 HB3 ARG A 7 -3.308 -11.342 5.208 1.00 1.41 H new ATOM 0 HG2 ARG A 7 -1.862 -10.753 6.922 1.00 73.25 H new ATOM 0 HG3 ARG A 7 -0.426 -11.194 6.020 1.00 73.25 H new ATOM 0 HD2 ARG A 7 -0.803 -9.214 4.518 1.00 41.41 H new ATOM 0 HD3 ARG A 7 -2.176 -8.756 5.506 1.00 41.41 H new ATOM 0 HE ARG A 7 -0.731 -7.916 7.128 1.00 11.34 H new ATOM 0 HH11 ARG A 7 1.018 -9.999 4.879 1.00 31.45 H new ATOM 0 HH12 ARG A 7 2.603 -9.568 5.531 1.00 31.45 H new ATOM 0 HH21 ARG A 7 1.307 -7.368 7.962 1.00 44.21 H new ATOM 0 HH22 ARG A 7 2.765 -8.085 7.269 1.00 44.21 H new ATOM 92 N THR A 8 -4.133 -13.579 4.035 1.00 10.23 N ATOM 93 CA THR A 8 -5.093 -14.178 3.117 1.00 52.31 C ATOM 94 C THR A 8 -4.982 -13.562 1.727 1.00 63.53 C ATOM 95 O THR A 8 -5.333 -14.191 0.729 1.00 1.11 O ATOM 96 CB THR A 8 -6.537 -14.010 3.626 1.00 53.12 C ATOM 97 OG1 THR A 8 -6.774 -12.645 3.988 1.00 4.11 O ATOM 98 CG2 THR A 8 -6.797 -14.910 4.824 1.00 23.23 C ATOM 0 H THR A 8 -4.551 -13.141 4.856 1.00 10.23 H new ATOM 0 HA THR A 8 -4.856 -15.241 3.061 1.00 52.31 H new ATOM 0 HB THR A 8 -7.217 -14.295 2.823 1.00 53.12 H new ATOM 0 HG1 THR A 8 -7.695 -12.547 4.309 1.00 4.11 H new ATOM 0 HG21 THR A 8 -7.823 -14.774 5.166 1.00 23.23 H new ATOM 0 HG22 THR A 8 -6.645 -15.951 4.537 1.00 23.23 H new ATOM 0 HG23 THR A 8 -6.109 -14.652 5.629 1.00 23.23 H new ATOM 106 N GLY A 9 -4.489 -12.329 1.668 1.00 14.41 N ATOM 107 CA GLY A 9 -4.340 -11.649 0.394 1.00 20.34 C ATOM 108 C GLY A 9 -3.591 -10.337 0.521 1.00 34.44 C ATOM 109 O GLY A 9 -4.196 -9.289 0.746 1.00 3.41 O ATOM 0 H GLY A 9 -4.190 -11.788 2.480 1.00 14.41 H new ATOM 0 HA2 GLY A 9 -3.811 -12.300 -0.302 1.00 20.34 H new ATOM 0 HA3 GLY A 9 -5.326 -11.461 -0.032 1.00 20.34 H new ATOM 113 N VAL A 10 -2.271 -10.395 0.379 1.00 50.12 N ATOM 114 CA VAL A 10 -1.439 -9.202 0.480 1.00 65.25 C ATOM 115 C VAL A 10 -1.939 -8.103 -0.450 1.00 51.43 C ATOM 116 O VAL A 10 -2.122 -8.323 -1.648 1.00 25.44 O ATOM 117 CB VAL A 10 0.032 -9.514 0.143 1.00 12.01 C ATOM 118 CG1 VAL A 10 0.882 -8.257 0.248 1.00 51.12 C ATOM 119 CG2 VAL A 10 0.567 -10.607 1.056 1.00 13.22 C ATOM 0 H VAL A 10 -1.755 -11.255 0.194 1.00 50.12 H new ATOM 0 HA VAL A 10 -1.503 -8.858 1.512 1.00 65.25 H new ATOM 0 HB VAL A 10 0.083 -9.873 -0.885 1.00 12.01 H new ATOM 0 HG11 VAL A 10 1.918 -8.497 0.007 1.00 51.12 H new ATOM 0 HG12 VAL A 10 0.511 -7.507 -0.451 1.00 51.12 H new ATOM 0 HG13 VAL A 10 0.828 -7.865 1.264 1.00 51.12 H new ATOM 0 HG21 VAL A 10 1.607 -10.815 0.804 1.00 13.22 H new ATOM 0 HG22 VAL A 10 0.504 -10.278 2.093 1.00 13.22 H new ATOM 0 HG23 VAL A 10 -0.026 -11.512 0.926 1.00 13.22 H new ATOM 129 N ARG A 11 -2.159 -6.917 0.109 1.00 61.12 N ATOM 130 CA ARG A 11 -2.639 -5.782 -0.670 1.00 72.22 C ATOM 131 C ARG A 11 -1.574 -5.309 -1.656 1.00 33.54 C ATOM 132 O ARG A 11 -0.383 -5.312 -1.346 1.00 1.25 O ATOM 133 CB ARG A 11 -3.038 -4.632 0.257 1.00 71.44 C ATOM 134 CG ARG A 11 -3.732 -3.485 -0.460 1.00 22.32 C ATOM 135 CD ARG A 11 -5.169 -3.837 -0.812 1.00 42.53 C ATOM 136 NE ARG A 11 -5.997 -4.011 0.378 1.00 73.24 N ATOM 137 CZ ARG A 11 -7.324 -3.938 0.367 1.00 64.42 C ATOM 138 NH1 ARG A 11 -7.968 -3.696 -0.766 1.00 53.01 N ATOM 139 NH2 ARG A 11 -8.008 -4.109 1.491 1.00 42.22 N ATOM 0 H ARG A 11 -2.012 -6.717 1.098 1.00 61.12 H new ATOM 0 HA ARG A 11 -3.514 -6.105 -1.234 1.00 72.22 H new ATOM 0 HB2 ARG A 11 -3.698 -5.016 1.035 1.00 71.44 H new ATOM 0 HB3 ARG A 11 -2.146 -4.252 0.755 1.00 71.44 H new ATOM 0 HG2 ARG A 11 -3.718 -2.597 0.172 1.00 22.32 H new ATOM 0 HG3 ARG A 11 -3.184 -3.237 -1.369 1.00 22.32 H new ATOM 0 HD2 ARG A 11 -5.592 -3.050 -1.436 1.00 42.53 H new ATOM 0 HD3 ARG A 11 -5.184 -4.754 -1.401 1.00 42.53 H new ATOM 0 HE ARG A 11 -5.532 -4.199 1.266 1.00 73.24 H new ATOM 0 HH11 ARG A 11 -7.445 -3.565 -1.632 1.00 53.01 H new ATOM 0 HH12 ARG A 11 -8.986 -3.640 -0.772 1.00 53.01 H new ATOM 0 HH21 ARG A 11 -7.515 -4.297 2.364 1.00 42.22 H new ATOM 0 HH22 ARG A 11 -9.026 -4.053 1.482 1.00 42.22 H new ATOM 153 N ARG A 12 -2.012 -4.905 -2.843 1.00 73.44 N ATOM 154 CA ARG A 12 -1.097 -4.432 -3.875 1.00 1.24 C ATOM 155 C ARG A 12 -1.531 -3.067 -4.402 1.00 73.52 C ATOM 156 O ARG A 12 -2.694 -2.676 -4.300 1.00 32.35 O ATOM 157 CB ARG A 12 -1.027 -5.437 -5.026 1.00 34.14 C ATOM 158 CG ARG A 12 -2.379 -6.015 -5.412 1.00 51.33 C ATOM 159 CD ARG A 12 -2.688 -7.282 -4.630 1.00 43.23 C ATOM 160 NE ARG A 12 -3.695 -8.104 -5.295 1.00 55.52 N ATOM 161 CZ ARG A 12 -4.003 -9.339 -4.916 1.00 50.03 C ATOM 162 NH1 ARG A 12 -3.384 -9.892 -3.882 1.00 74.33 N ATOM 163 NH2 ARG A 12 -4.932 -10.023 -5.572 1.00 23.52 N ATOM 0 H ARG A 12 -2.995 -4.896 -3.115 1.00 73.44 H new ATOM 0 HA ARG A 12 -0.107 -4.333 -3.429 1.00 1.24 H new ATOM 0 HB2 ARG A 12 -0.588 -4.950 -5.896 1.00 34.14 H new ATOM 0 HB3 ARG A 12 -0.359 -6.252 -4.746 1.00 34.14 H new ATOM 0 HG2 ARG A 12 -3.158 -5.275 -5.229 1.00 51.33 H new ATOM 0 HG3 ARG A 12 -2.391 -6.233 -6.480 1.00 51.33 H new ATOM 0 HD2 ARG A 12 -1.774 -7.861 -4.503 1.00 43.23 H new ATOM 0 HD3 ARG A 12 -3.038 -7.016 -3.633 1.00 43.23 H new ATOM 0 HE ARG A 12 -4.189 -7.708 -6.095 1.00 55.52 H new ATOM 0 HH11 ARG A 12 -2.670 -9.369 -3.376 1.00 74.33 H new ATOM 0 HH12 ARG A 12 -3.622 -10.841 -3.593 1.00 74.33 H new ATOM 0 HH21 ARG A 12 -5.410 -9.600 -6.368 1.00 23.52 H new ATOM 0 HH22 ARG A 12 -5.168 -10.971 -5.280 1.00 23.52 H new ATOM 177 N PRO A 13 -0.576 -2.325 -4.980 1.00 43.34 N ATOM 178 CA PRO A 13 -0.835 -0.993 -5.535 1.00 75.04 C ATOM 179 C PRO A 13 -1.693 -1.047 -6.795 1.00 64.34 C ATOM 180 O PRO A 13 -2.289 -0.047 -7.195 1.00 62.14 O ATOM 181 CB PRO A 13 0.564 -0.466 -5.863 1.00 31.11 C ATOM 182 CG PRO A 13 1.390 -1.688 -6.069 1.00 62.43 C ATOM 183 CD PRO A 13 0.832 -2.728 -5.137 1.00 52.12 C ATOM 0 HA PRO A 13 -1.390 -0.363 -4.840 1.00 75.04 H new ATOM 0 HB2 PRO A 13 0.552 0.159 -6.756 1.00 31.11 H new ATOM 0 HB3 PRO A 13 0.957 0.145 -5.051 1.00 31.11 H new ATOM 0 HG2 PRO A 13 1.338 -2.024 -7.105 1.00 62.43 H new ATOM 0 HG3 PRO A 13 2.439 -1.491 -5.850 1.00 62.43 H new ATOM 0 HD2 PRO A 13 0.919 -3.731 -5.556 1.00 52.12 H new ATOM 0 HD3 PRO A 13 1.357 -2.735 -4.182 1.00 52.12 H new ATOM 191 N ARG A 14 -1.750 -2.221 -7.416 1.00 52.12 N ATOM 192 CA ARG A 14 -2.534 -2.405 -8.632 1.00 13.44 C ATOM 193 C ARG A 14 -3.859 -3.096 -8.324 1.00 55.13 C ATOM 194 O ARG A 14 -4.471 -3.708 -9.200 1.00 63.23 O ATOM 195 CB ARG A 14 -1.745 -3.224 -9.654 1.00 43.44 C ATOM 196 CG ARG A 14 -0.469 -2.544 -10.125 1.00 31.02 C ATOM 197 CD ARG A 14 0.512 -3.546 -10.712 1.00 70.33 C ATOM 198 NE ARG A 14 1.644 -2.889 -11.359 1.00 65.01 N ATOM 199 CZ ARG A 14 2.733 -3.532 -11.766 1.00 61.31 C ATOM 200 NH1 ARG A 14 2.836 -4.843 -11.595 1.00 33.05 N ATOM 201 NH2 ARG A 14 3.722 -2.864 -12.347 1.00 32.43 N ATOM 0 H ARG A 14 -1.263 -3.059 -7.097 1.00 52.12 H new ATOM 0 HA ARG A 14 -2.745 -1.421 -9.051 1.00 13.44 H new ATOM 0 HB2 ARG A 14 -1.492 -4.189 -9.216 1.00 43.44 H new ATOM 0 HB3 ARG A 14 -2.381 -3.422 -10.517 1.00 43.44 H new ATOM 0 HG2 ARG A 14 -0.712 -1.790 -10.874 1.00 31.02 H new ATOM 0 HG3 ARG A 14 -0.003 -2.024 -9.288 1.00 31.02 H new ATOM 0 HD2 ARG A 14 0.877 -4.202 -9.921 1.00 70.33 H new ATOM 0 HD3 ARG A 14 -0.004 -4.176 -11.436 1.00 70.33 H new ATOM 0 HE ARG A 14 1.596 -1.881 -11.507 1.00 65.01 H new ATOM 0 HH11 ARG A 14 2.078 -5.360 -11.150 1.00 33.05 H new ATOM 0 HH12 ARG A 14 3.673 -5.334 -11.909 1.00 33.05 H new ATOM 0 HH21 ARG A 14 3.646 -1.856 -12.481 1.00 32.43 H new ATOM 0 HH22 ARG A 14 4.558 -3.359 -12.659 1.00 32.43 H new ATOM 215 N LYS A 15 -4.298 -2.994 -7.074 1.00 60.12 N ATOM 216 CA LYS A 15 -5.551 -3.608 -6.650 1.00 24.11 C ATOM 217 C LYS A 15 -6.697 -3.196 -7.568 1.00 0.33 C ATOM 218 O LYS A 15 -7.111 -2.037 -7.577 1.00 45.32 O ATOM 219 CB LYS A 15 -5.872 -3.215 -5.206 1.00 50.54 C ATOM 220 CG LYS A 15 -6.714 -4.241 -4.469 1.00 62.50 C ATOM 221 CD LYS A 15 -5.977 -5.562 -4.318 1.00 0.32 C ATOM 222 CE LYS A 15 -6.425 -6.311 -3.072 1.00 50.40 C ATOM 223 NZ LYS A 15 -7.566 -7.225 -3.355 1.00 11.33 N ATOM 0 H LYS A 15 -3.804 -2.492 -6.336 1.00 60.12 H new ATOM 0 HA LYS A 15 -5.435 -4.690 -6.708 1.00 24.11 H new ATOM 0 HB2 LYS A 15 -4.939 -3.066 -4.663 1.00 50.54 H new ATOM 0 HB3 LYS A 15 -6.397 -2.260 -5.207 1.00 50.54 H new ATOM 0 HG2 LYS A 15 -6.979 -3.856 -3.484 1.00 62.50 H new ATOM 0 HG3 LYS A 15 -7.647 -4.403 -5.009 1.00 62.50 H new ATOM 0 HD2 LYS A 15 -6.152 -6.180 -5.198 1.00 0.32 H new ATOM 0 HD3 LYS A 15 -4.904 -5.377 -4.267 1.00 0.32 H new ATOM 0 HE2 LYS A 15 -5.589 -6.886 -2.674 1.00 50.40 H new ATOM 0 HE3 LYS A 15 -6.715 -5.595 -2.303 1.00 50.40 H new ATOM 0 HZ1 LYS A 15 -7.842 -7.717 -2.481 1.00 11.33 H new ATOM 0 HZ2 LYS A 15 -8.373 -6.673 -3.711 1.00 11.33 H new ATOM 0 HZ3 LYS A 15 -7.282 -7.924 -4.071 1.00 11.33 H new ATOM 237 N ALA A 16 -7.207 -4.152 -8.337 1.00 22.23 N ATOM 238 CA ALA A 16 -8.308 -3.889 -9.255 1.00 3.41 C ATOM 239 C ALA A 16 -9.535 -3.377 -8.508 1.00 60.32 C ATOM 240 O ALA A 16 -10.413 -2.744 -9.095 1.00 43.00 O ATOM 241 CB ALA A 16 -8.651 -5.145 -10.041 1.00 74.12 C ATOM 0 H ALA A 16 -6.875 -5.116 -8.342 1.00 22.23 H new ATOM 0 HA ALA A 16 -7.990 -3.114 -9.952 1.00 3.41 H new ATOM 0 HB1 ALA A 16 -9.475 -4.934 -10.723 1.00 74.12 H new ATOM 0 HB2 ALA A 16 -7.780 -5.466 -10.613 1.00 74.12 H new ATOM 0 HB3 ALA A 16 -8.944 -5.937 -9.352 1.00 74.12 H new ATOM 247 N LYS A 17 -9.591 -3.656 -7.210 1.00 61.43 N ATOM 248 CA LYS A 17 -10.710 -3.225 -6.382 1.00 14.51 C ATOM 249 C LYS A 17 -10.403 -1.894 -5.702 1.00 24.31 C ATOM 250 O LYS A 17 -10.739 -1.689 -4.535 1.00 41.14 O ATOM 251 CB LYS A 17 -11.031 -4.286 -5.327 1.00 63.45 C ATOM 252 CG LYS A 17 -11.830 -5.459 -5.869 1.00 23.34 C ATOM 253 CD LYS A 17 -10.930 -6.632 -6.220 1.00 20.30 C ATOM 254 CE LYS A 17 -10.904 -6.885 -7.720 1.00 4.24 C ATOM 255 NZ LYS A 17 -10.718 -8.328 -8.036 1.00 21.11 N ATOM 0 H LYS A 17 -8.873 -4.179 -6.709 1.00 61.43 H new ATOM 0 HA LYS A 17 -11.577 -3.092 -7.029 1.00 14.51 H new ATOM 0 HB2 LYS A 17 -10.099 -4.658 -4.902 1.00 63.45 H new ATOM 0 HB3 LYS A 17 -11.589 -3.821 -4.514 1.00 63.45 H new ATOM 0 HG2 LYS A 17 -12.566 -5.773 -5.128 1.00 23.34 H new ATOM 0 HG3 LYS A 17 -12.383 -5.146 -6.755 1.00 23.34 H new ATOM 0 HD2 LYS A 17 -9.918 -6.435 -5.866 1.00 20.30 H new ATOM 0 HD3 LYS A 17 -11.279 -7.527 -5.705 1.00 20.30 H new ATOM 0 HE2 LYS A 17 -11.835 -6.533 -8.164 1.00 4.24 H new ATOM 0 HE3 LYS A 17 -10.098 -6.307 -8.172 1.00 4.24 H new ATOM 0 HZ1 LYS A 17 -10.706 -8.459 -9.068 1.00 21.11 H new ATOM 0 HZ2 LYS A 17 -9.817 -8.658 -7.634 1.00 21.11 H new ATOM 0 HZ3 LYS A 17 -11.501 -8.877 -7.627 1.00 21.11 H new ATOM 269 N LYS A 18 -9.763 -0.993 -6.439 1.00 4.45 N ATOM 270 CA LYS A 18 -9.412 0.320 -5.908 1.00 64.54 C ATOM 271 C LYS A 18 -10.629 1.001 -5.292 1.00 32.32 C ATOM 272 O LYS A 18 -11.532 1.443 -6.003 1.00 64.42 O ATOM 273 CB LYS A 18 -8.827 1.200 -7.015 1.00 54.14 C ATOM 274 CG LYS A 18 -7.393 0.854 -7.374 1.00 44.31 C ATOM 275 CD LYS A 18 -6.604 2.091 -7.772 1.00 61.41 C ATOM 276 CE LYS A 18 -7.157 2.720 -9.042 1.00 21.24 C ATOM 277 NZ LYS A 18 -6.977 1.833 -10.224 1.00 64.12 N ATOM 0 H LYS A 18 -9.477 -1.147 -7.406 1.00 4.45 H new ATOM 0 HA LYS A 18 -8.663 0.181 -5.128 1.00 64.54 H new ATOM 0 HB2 LYS A 18 -9.448 1.109 -7.906 1.00 54.14 H new ATOM 0 HB3 LYS A 18 -8.872 2.243 -6.701 1.00 54.14 H new ATOM 0 HG2 LYS A 18 -6.910 0.371 -6.524 1.00 44.31 H new ATOM 0 HG3 LYS A 18 -7.385 0.137 -8.195 1.00 44.31 H new ATOM 0 HD2 LYS A 18 -6.634 2.819 -6.961 1.00 61.41 H new ATOM 0 HD3 LYS A 18 -5.558 1.824 -7.923 1.00 61.41 H new ATOM 0 HE2 LYS A 18 -8.217 2.936 -8.908 1.00 21.24 H new ATOM 0 HE3 LYS A 18 -6.658 3.672 -9.223 1.00 21.24 H new ATOM 0 HZ1 LYS A 18 -7.192 2.364 -11.092 1.00 64.12 H new ATOM 0 HZ2 LYS A 18 -5.994 1.496 -10.259 1.00 64.12 H new ATOM 0 HZ3 LYS A 18 -7.619 1.019 -10.148 1.00 64.12 H new ATOM 291 N ASP A 19 -10.647 1.083 -3.966 1.00 40.21 N ATOM 292 CA ASP A 19 -11.753 1.713 -3.254 1.00 2.10 C ATOM 293 C ASP A 19 -11.236 2.686 -2.199 1.00 3.11 C ATOM 294 O ASP A 19 -10.117 2.562 -1.700 1.00 43.54 O ATOM 295 CB ASP A 19 -12.636 0.651 -2.597 1.00 25.10 C ATOM 296 CG ASP A 19 -13.442 -0.139 -3.609 1.00 43.13 C ATOM 297 OD1 ASP A 19 -13.517 0.296 -4.778 1.00 13.33 O ATOM 298 OD2 ASP A 19 -13.996 -1.193 -3.234 1.00 12.55 O ATOM 0 H ASP A 19 -9.908 0.721 -3.363 1.00 40.21 H new ATOM 0 HA ASP A 19 -12.347 2.271 -3.977 1.00 2.10 H new ATOM 0 HB2 ASP A 19 -12.011 -0.032 -2.022 1.00 25.10 H new ATOM 0 HB3 ASP A 19 -13.314 1.132 -1.892 1.00 25.10 H new ATOM 303 N PRO A 20 -12.068 3.679 -1.850 1.00 62.43 N ATOM 304 CA PRO A 20 -11.716 4.693 -0.852 1.00 31.42 C ATOM 305 C PRO A 20 -11.652 4.119 0.560 1.00 70.45 C ATOM 306 O PRO A 20 -10.774 4.473 1.344 1.00 4.14 O ATOM 307 CB PRO A 20 -12.854 5.711 -0.964 1.00 23.51 C ATOM 308 CG PRO A 20 -14.007 4.933 -1.499 1.00 25.14 C ATOM 309 CD PRO A 20 -13.416 3.887 -2.404 1.00 14.13 C ATOM 0 HA PRO A 20 -10.728 5.116 -1.032 1.00 31.42 H new ATOM 0 HB2 PRO A 20 -13.089 6.151 0.005 1.00 23.51 H new ATOM 0 HB3 PRO A 20 -12.587 6.532 -1.630 1.00 23.51 H new ATOM 0 HG2 PRO A 20 -14.576 4.474 -0.691 1.00 25.14 H new ATOM 0 HG3 PRO A 20 -14.694 5.579 -2.046 1.00 25.14 H new ATOM 0 HD2 PRO A 20 -14.002 2.968 -2.392 1.00 14.13 H new ATOM 0 HD3 PRO A 20 -13.377 4.227 -3.439 1.00 14.13 H new ATOM 317 N ASN A 21 -12.589 3.230 0.875 1.00 65.20 N ATOM 318 CA ASN A 21 -12.638 2.607 2.193 1.00 60.34 C ATOM 319 C ASN A 21 -12.615 3.662 3.295 1.00 72.35 C ATOM 320 O ASN A 21 -12.096 3.424 4.385 1.00 51.13 O ATOM 321 CB ASN A 21 -11.462 1.644 2.369 1.00 71.32 C ATOM 322 CG ASN A 21 -11.709 0.302 1.706 1.00 13.22 C ATOM 323 OD1 ASN A 21 -11.834 0.310 0.384 1.00 34.33 O flip ATOM 324 ND2 ASN A 21 -11.786 -0.728 2.375 1.00 35.42 N flip ATOM 0 H ASN A 21 -13.324 2.925 0.236 1.00 65.20 H new ATOM 0 HA ASN A 21 -13.571 2.048 2.269 1.00 60.34 H new ATOM 0 HB2 ASN A 21 -10.562 2.093 1.949 1.00 71.32 H new ATOM 0 HB3 ASN A 21 -11.276 1.492 3.432 1.00 71.32 H new ATOM 0 HD21 ASN A 21 -11.684 -0.686 3.389 1.00 35.42 H new ATOM 0 HD22 ASN A 21 -11.952 -1.623 1.916 1.00 35.42 H new ATOM 331 N ALA A 22 -13.182 4.827 3.002 1.00 52.52 N ATOM 332 CA ALA A 22 -13.230 5.918 3.968 1.00 64.11 C ATOM 333 C ALA A 22 -14.125 5.565 5.151 1.00 70.13 C ATOM 334 O ALA A 22 -14.969 4.672 5.077 1.00 61.55 O ATOM 335 CB ALA A 22 -13.715 7.195 3.299 1.00 41.24 C ATOM 0 H ALA A 22 -13.615 5.040 2.103 1.00 52.52 H new ATOM 0 HA ALA A 22 -12.220 6.080 4.346 1.00 64.11 H new ATOM 0 HB1 ALA A 22 -13.746 8.001 4.032 1.00 41.24 H new ATOM 0 HB2 ALA A 22 -13.034 7.464 2.492 1.00 41.24 H new ATOM 0 HB3 ALA A 22 -14.714 7.036 2.892 1.00 41.24 H new ATOM 341 N PRO A 23 -13.939 6.281 6.269 1.00 3.14 N ATOM 342 CA PRO A 23 -14.721 6.061 7.490 1.00 65.14 C ATOM 343 C PRO A 23 -16.173 6.499 7.334 1.00 20.44 C ATOM 344 O PRO A 23 -16.469 7.469 6.636 1.00 21.34 O ATOM 345 CB PRO A 23 -14.008 6.930 8.529 1.00 53.21 C ATOM 346 CG PRO A 23 -13.339 7.998 7.735 1.00 43.12 C ATOM 347 CD PRO A 23 -12.951 7.361 6.429 1.00 43.31 C ATOM 0 HA PRO A 23 -14.770 5.006 7.759 1.00 65.14 H new ATOM 0 HB2 PRO A 23 -14.714 7.352 9.244 1.00 53.21 H new ATOM 0 HB3 PRO A 23 -13.284 6.350 9.101 1.00 53.21 H new ATOM 0 HG2 PRO A 23 -14.009 8.842 7.574 1.00 43.12 H new ATOM 0 HG3 PRO A 23 -12.463 8.382 8.257 1.00 43.12 H new ATOM 0 HD2 PRO A 23 -12.997 8.073 5.605 1.00 43.31 H new ATOM 0 HD3 PRO A 23 -11.933 6.973 6.458 1.00 43.31 H new ATOM 355 N LYS A 24 -17.077 5.778 7.990 1.00 65.44 N ATOM 356 CA LYS A 24 -18.499 6.092 7.926 1.00 21.14 C ATOM 357 C LYS A 24 -19.069 6.315 9.323 1.00 35.13 C ATOM 358 O LYS A 24 -20.268 6.145 9.549 1.00 63.20 O ATOM 359 CB LYS A 24 -19.261 4.964 7.227 1.00 62.01 C ATOM 360 CG LYS A 24 -19.287 5.095 5.714 1.00 62.42 C ATOM 361 CD LYS A 24 -17.926 4.798 5.105 1.00 14.11 C ATOM 362 CE LYS A 24 -18.043 4.421 3.636 1.00 13.41 C ATOM 363 NZ LYS A 24 -18.417 2.991 3.458 1.00 13.04 N ATOM 0 H LYS A 24 -16.849 4.972 8.572 1.00 65.44 H new ATOM 0 HA LYS A 24 -18.617 7.011 7.352 1.00 21.14 H new ATOM 0 HB2 LYS A 24 -18.806 4.010 7.493 1.00 62.01 H new ATOM 0 HB3 LYS A 24 -20.285 4.943 7.599 1.00 62.01 H new ATOM 0 HG2 LYS A 24 -20.028 4.411 5.301 1.00 62.42 H new ATOM 0 HG3 LYS A 24 -19.597 6.104 5.440 1.00 62.42 H new ATOM 0 HD2 LYS A 24 -17.282 5.671 5.207 1.00 14.11 H new ATOM 0 HD3 LYS A 24 -17.450 3.985 5.654 1.00 14.11 H new ATOM 0 HE2 LYS A 24 -18.790 5.054 3.157 1.00 13.41 H new ATOM 0 HE3 LYS A 24 -17.094 4.613 3.135 1.00 13.41 H new ATOM 0 HZ1 LYS A 24 -18.487 2.774 2.443 1.00 13.04 H new ATOM 0 HZ2 LYS A 24 -17.691 2.386 3.893 1.00 13.04 H new ATOM 0 HZ3 LYS A 24 -19.335 2.813 3.914 1.00 13.04 H new ATOM 377 N ARG A 25 -18.204 6.698 10.257 1.00 73.23 N ATOM 378 CA ARG A 25 -18.623 6.944 11.631 1.00 1.43 C ATOM 379 C ARG A 25 -18.712 8.442 11.912 1.00 32.41 C ATOM 380 O ARG A 25 -17.722 9.164 11.801 1.00 53.12 O ATOM 381 CB ARG A 25 -17.647 6.289 12.610 1.00 63.54 C ATOM 382 CG ARG A 25 -18.326 5.435 13.668 1.00 53.20 C ATOM 383 CD ARG A 25 -19.312 6.249 14.492 1.00 41.35 C ATOM 384 NE ARG A 25 -19.731 5.543 15.699 1.00 70.30 N ATOM 385 CZ ARG A 25 -18.957 5.391 16.768 1.00 62.34 C ATOM 386 NH1 ARG A 25 -17.730 5.893 16.779 1.00 50.45 N ATOM 387 NH2 ARG A 25 -19.410 4.735 17.829 1.00 64.04 N ATOM 0 H ARG A 25 -17.209 6.844 10.087 1.00 73.23 H new ATOM 0 HA ARG A 25 -19.612 6.506 11.766 1.00 1.43 H new ATOM 0 HB2 ARG A 25 -16.946 5.670 12.051 1.00 63.54 H new ATOM 0 HB3 ARG A 25 -17.063 7.067 13.103 1.00 63.54 H new ATOM 0 HG2 ARG A 25 -18.847 4.606 13.189 1.00 53.20 H new ATOM 0 HG3 ARG A 25 -17.573 5.000 14.325 1.00 53.20 H new ATOM 0 HD2 ARG A 25 -18.856 7.199 14.768 1.00 41.35 H new ATOM 0 HD3 ARG A 25 -20.187 6.480 13.885 1.00 41.35 H new ATOM 0 HE ARG A 25 -20.670 5.144 15.723 1.00 70.30 H new ATOM 0 HH11 ARG A 25 -17.378 6.397 15.965 1.00 50.45 H new ATOM 0 HH12 ARG A 25 -17.138 5.775 17.601 1.00 50.45 H new ATOM 0 HH21 ARG A 25 -20.353 4.347 17.824 1.00 64.04 H new ATOM 0 HH22 ARG A 25 -18.815 4.619 18.649 1.00 64.04 H new ATOM 401 N ALA A 26 -19.905 8.900 12.276 1.00 74.10 N ATOM 402 CA ALA A 26 -20.124 10.310 12.574 1.00 23.00 C ATOM 403 C ALA A 26 -19.346 10.736 13.815 1.00 61.34 C ATOM 404 O ALA A 26 -19.045 9.916 14.683 1.00 64.41 O ATOM 405 CB ALA A 26 -21.608 10.587 12.759 1.00 74.41 C ATOM 0 H ALA A 26 -20.735 8.315 12.372 1.00 74.10 H new ATOM 0 HA ALA A 26 -19.759 10.895 11.729 1.00 23.00 H new ATOM 0 HB1 ALA A 26 -21.756 11.644 12.981 1.00 74.41 H new ATOM 0 HB2 ALA A 26 -22.143 10.330 11.845 1.00 74.41 H new ATOM 0 HB3 ALA A 26 -21.990 9.986 13.584 1.00 74.41 H new ATOM 411 N LEU A 27 -19.023 12.022 13.892 1.00 64.21 N ATOM 412 CA LEU A 27 -18.278 12.557 15.027 1.00 74.21 C ATOM 413 C LEU A 27 -18.939 12.165 16.345 1.00 71.03 C ATOM 414 O LEU A 27 -20.127 12.411 16.552 1.00 12.22 O ATOM 415 CB LEU A 27 -18.180 14.080 14.925 1.00 35.04 C ATOM 416 CG LEU A 27 -17.000 14.625 14.120 1.00 74.52 C ATOM 417 CD1 LEU A 27 -16.859 13.873 12.806 1.00 70.55 C ATOM 418 CD2 LEU A 27 -17.170 16.116 13.868 1.00 64.33 C ATOM 0 H LEU A 27 -19.265 12.714 13.183 1.00 64.21 H new ATOM 0 HA LEU A 27 -17.274 12.132 15.005 1.00 74.21 H new ATOM 0 HB2 LEU A 27 -19.102 14.454 14.479 1.00 35.04 H new ATOM 0 HB3 LEU A 27 -18.125 14.489 15.934 1.00 35.04 H new ATOM 0 HG LEU A 27 -16.089 14.477 14.700 1.00 74.52 H new ATOM 0 HD11 LEU A 27 -16.014 14.274 12.246 1.00 70.55 H new ATOM 0 HD12 LEU A 27 -16.691 12.815 13.008 1.00 70.55 H new ATOM 0 HD13 LEU A 27 -17.771 13.990 12.220 1.00 70.55 H new ATOM 0 HD21 LEU A 27 -16.321 16.487 13.294 1.00 64.33 H new ATOM 0 HD22 LEU A 27 -18.090 16.288 13.308 1.00 64.33 H new ATOM 0 HD23 LEU A 27 -17.221 16.643 14.821 1.00 64.33 H new ATOM 430 N SER A 28 -18.160 11.555 17.233 1.00 55.51 N ATOM 431 CA SER A 28 -18.670 11.128 18.531 1.00 53.15 C ATOM 432 C SER A 28 -19.383 12.276 19.239 1.00 2.11 C ATOM 433 O SER A 28 -19.295 13.430 18.818 1.00 34.44 O ATOM 434 CB SER A 28 -17.528 10.605 19.404 1.00 52.02 C ATOM 435 OG SER A 28 -17.357 9.208 19.236 1.00 2.34 O ATOM 0 H SER A 28 -17.174 11.346 17.077 1.00 55.51 H new ATOM 0 HA SER A 28 -19.388 10.325 18.366 1.00 53.15 H new ATOM 0 HB2 SER A 28 -16.603 11.121 19.147 1.00 52.02 H new ATOM 0 HB3 SER A 28 -17.736 10.826 20.451 1.00 52.02 H new ATOM 0 HG SER A 28 -16.620 8.898 19.803 1.00 2.34 H new ATOM 441 N SER A 29 -20.088 11.951 20.318 1.00 71.32 N ATOM 442 CA SER A 29 -20.819 12.953 21.084 1.00 74.01 C ATOM 443 C SER A 29 -19.866 13.793 21.929 1.00 35.41 C ATOM 444 O SER A 29 -19.707 14.992 21.699 1.00 31.31 O ATOM 445 CB SER A 29 -21.859 12.280 21.983 1.00 44.21 C ATOM 446 OG SER A 29 -21.282 11.217 22.722 1.00 50.14 O ATOM 0 H SER A 29 -20.168 11.001 20.681 1.00 71.32 H new ATOM 0 HA SER A 29 -21.329 13.611 20.381 1.00 74.01 H new ATOM 0 HB2 SER A 29 -22.283 13.015 22.667 1.00 44.21 H new ATOM 0 HB3 SER A 29 -22.680 11.901 21.374 1.00 44.21 H new ATOM 0 HG SER A 29 -21.966 10.804 23.290 1.00 50.14 H new ATOM 452 N TYR A 30 -19.235 13.154 22.908 1.00 14.11 N ATOM 453 CA TYR A 30 -18.300 13.841 23.790 1.00 2.33 C ATOM 454 C TYR A 30 -16.919 13.942 23.148 1.00 34.33 C ATOM 455 O TYR A 30 -16.204 14.924 23.340 1.00 42.42 O ATOM 456 CB TYR A 30 -18.199 13.111 25.130 1.00 33.34 C ATOM 457 CG TYR A 30 -17.711 13.986 26.262 1.00 12.33 C ATOM 458 CD1 TYR A 30 -18.337 15.192 26.554 1.00 55.15 C ATOM 459 CD2 TYR A 30 -16.623 13.609 27.040 1.00 74.33 C ATOM 460 CE1 TYR A 30 -17.895 15.996 27.586 1.00 24.22 C ATOM 461 CE2 TYR A 30 -16.175 14.405 28.075 1.00 3.33 C ATOM 462 CZ TYR A 30 -16.813 15.598 28.344 1.00 33.15 C ATOM 463 OH TYR A 30 -16.368 16.395 29.374 1.00 35.12 O ATOM 0 H TYR A 30 -19.354 12.161 23.110 1.00 14.11 H new ATOM 0 HA TYR A 30 -18.676 14.850 23.961 1.00 2.33 H new ATOM 0 HB2 TYR A 30 -19.178 12.709 25.389 1.00 33.34 H new ATOM 0 HB3 TYR A 30 -17.524 12.262 25.022 1.00 33.34 H new ATOM 0 HD1 TYR A 30 -19.185 15.506 25.963 1.00 55.15 H new ATOM 0 HD2 TYR A 30 -16.119 12.677 26.831 1.00 74.33 H new ATOM 0 HE1 TYR A 30 -18.393 16.930 27.798 1.00 24.22 H new ATOM 0 HE2 TYR A 30 -15.329 14.095 28.671 1.00 3.33 H new ATOM 0 HH TYR A 30 -15.599 15.970 29.808 1.00 35.12 H new ATOM 473 N MET A 31 -16.553 12.917 22.385 1.00 11.31 N ATOM 474 CA MET A 31 -15.259 12.890 21.713 1.00 54.04 C ATOM 475 C MET A 31 -15.247 13.839 20.518 1.00 13.05 C ATOM 476 O MET A 31 -14.214 14.033 19.878 1.00 51.32 O ATOM 477 CB MET A 31 -14.929 11.469 21.253 1.00 75.33 C ATOM 478 CG MET A 31 -13.839 10.801 22.075 1.00 15.35 C ATOM 479 SD MET A 31 -12.182 11.222 21.504 1.00 61.33 S ATOM 480 CE MET A 31 -12.239 10.611 19.821 1.00 54.43 C ATOM 0 H MET A 31 -17.133 12.095 22.217 1.00 11.31 H new ATOM 0 HA MET A 31 -14.501 13.219 22.424 1.00 54.04 H new ATOM 0 HB2 MET A 31 -15.833 10.861 21.301 1.00 75.33 H new ATOM 0 HB3 MET A 31 -14.619 11.497 20.208 1.00 75.33 H new ATOM 0 HG2 MET A 31 -13.945 11.095 23.119 1.00 15.35 H new ATOM 0 HG3 MET A 31 -13.969 9.720 22.034 1.00 15.35 H new ATOM 0 HE1 MET A 31 -11.404 9.930 19.653 1.00 54.43 H new ATOM 0 HE2 MET A 31 -13.178 10.081 19.658 1.00 54.43 H new ATOM 0 HE3 MET A 31 -12.170 11.449 19.127 1.00 54.43 H new ATOM 490 N PHE A 32 -16.402 14.427 20.224 1.00 0.43 N ATOM 491 CA PHE A 32 -16.524 15.355 19.106 1.00 50.31 C ATOM 492 C PHE A 32 -15.348 16.328 19.075 1.00 35.32 C ATOM 493 O PHE A 32 -14.910 16.756 18.007 1.00 20.43 O ATOM 494 CB PHE A 32 -17.840 16.131 19.200 1.00 24.14 C ATOM 495 CG PHE A 32 -17.792 17.276 20.172 1.00 72.52 C ATOM 496 CD1 PHE A 32 -17.670 17.043 21.532 1.00 22.51 C ATOM 497 CD2 PHE A 32 -17.871 18.585 19.724 1.00 23.45 C ATOM 498 CE1 PHE A 32 -17.626 18.094 22.429 1.00 65.44 C ATOM 499 CE2 PHE A 32 -17.827 19.640 20.616 1.00 25.42 C ATOM 500 CZ PHE A 32 -17.705 19.394 21.970 1.00 71.20 C ATOM 0 H PHE A 32 -17.266 14.277 20.744 1.00 0.43 H new ATOM 0 HA PHE A 32 -16.517 14.775 18.183 1.00 50.31 H new ATOM 0 HB2 PHE A 32 -18.098 16.513 18.213 1.00 24.14 H new ATOM 0 HB3 PHE A 32 -18.636 15.447 19.495 1.00 24.14 H new ATOM 0 HD1 PHE A 32 -17.609 16.028 21.896 1.00 22.51 H new ATOM 0 HD2 PHE A 32 -17.968 18.783 18.667 1.00 23.45 H new ATOM 0 HE1 PHE A 32 -17.530 17.899 23.487 1.00 65.44 H new ATOM 0 HE2 PHE A 32 -17.888 20.656 20.255 1.00 25.42 H new ATOM 0 HZ PHE A 32 -17.671 20.217 22.668 1.00 71.20 H new ATOM 510 N PHE A 33 -14.843 16.673 20.255 1.00 60.13 N ATOM 511 CA PHE A 33 -13.719 17.596 20.364 1.00 33.13 C ATOM 512 C PHE A 33 -12.561 17.150 19.477 1.00 41.43 C ATOM 513 O PHE A 33 -12.033 17.933 18.688 1.00 41.24 O ATOM 514 CB PHE A 33 -13.254 17.695 21.818 1.00 5.44 C ATOM 515 CG PHE A 33 -12.128 18.669 22.022 1.00 30.10 C ATOM 516 CD1 PHE A 33 -12.383 20.023 22.168 1.00 34.21 C ATOM 517 CD2 PHE A 33 -10.815 18.230 22.067 1.00 45.02 C ATOM 518 CE1 PHE A 33 -11.350 20.921 22.356 1.00 10.31 C ATOM 519 CE2 PHE A 33 -9.777 19.124 22.255 1.00 72.31 C ATOM 520 CZ PHE A 33 -10.045 20.471 22.398 1.00 11.15 C ATOM 0 H PHE A 33 -15.194 16.328 21.148 1.00 60.13 H new ATOM 0 HA PHE A 33 -14.053 18.578 20.028 1.00 33.13 H new ATOM 0 HB2 PHE A 33 -14.098 17.991 22.442 1.00 5.44 H new ATOM 0 HB3 PHE A 33 -12.937 16.709 22.158 1.00 5.44 H new ATOM 0 HD1 PHE A 33 -13.401 20.381 22.134 1.00 34.21 H new ATOM 0 HD2 PHE A 33 -10.600 17.178 21.954 1.00 45.02 H new ATOM 0 HE1 PHE A 33 -11.563 21.974 22.470 1.00 10.31 H new ATOM 0 HE2 PHE A 33 -8.758 18.769 22.290 1.00 72.31 H new ATOM 0 HZ PHE A 33 -9.236 21.171 22.542 1.00 11.15 H new ATOM 530 N ALA A 34 -12.171 15.887 19.613 1.00 41.21 N ATOM 531 CA ALA A 34 -11.077 15.336 18.823 1.00 4.22 C ATOM 532 C ALA A 34 -11.569 14.859 17.461 1.00 23.42 C ATOM 533 O ALA A 34 -10.922 15.091 16.439 1.00 33.43 O ATOM 534 CB ALA A 34 -10.406 14.195 19.574 1.00 12.31 C ATOM 0 H ALA A 34 -12.596 15.226 20.263 1.00 41.21 H new ATOM 0 HA ALA A 34 -10.346 16.128 18.659 1.00 4.22 H new ATOM 0 HB1 ALA A 34 -9.591 13.793 18.972 1.00 12.31 H new ATOM 0 HB2 ALA A 34 -10.010 14.565 20.520 1.00 12.31 H new ATOM 0 HB3 ALA A 34 -11.135 13.409 19.768 1.00 12.31 H new ATOM 540 N LYS A 35 -12.717 14.189 17.453 1.00 4.44 N ATOM 541 CA LYS A 35 -13.297 13.679 16.217 1.00 23.20 C ATOM 542 C LYS A 35 -13.554 14.811 15.228 1.00 2.43 C ATOM 543 O LYS A 35 -13.672 14.582 14.025 1.00 23.32 O ATOM 544 CB LYS A 35 -14.603 12.937 16.511 1.00 40.45 C ATOM 545 CG LYS A 35 -14.426 11.724 17.407 1.00 44.11 C ATOM 546 CD LYS A 35 -13.384 10.768 16.851 1.00 24.12 C ATOM 547 CE LYS A 35 -13.766 10.271 15.465 1.00 4.42 C ATOM 548 NZ LYS A 35 -13.809 8.784 15.401 1.00 2.21 N ATOM 0 H LYS A 35 -13.264 13.987 18.290 1.00 4.44 H new ATOM 0 HA LYS A 35 -12.585 12.986 15.770 1.00 23.20 H new ATOM 0 HB2 LYS A 35 -15.304 13.626 16.981 1.00 40.45 H new ATOM 0 HB3 LYS A 35 -15.051 12.620 15.569 1.00 40.45 H new ATOM 0 HG2 LYS A 35 -14.129 12.048 18.405 1.00 44.11 H new ATOM 0 HG3 LYS A 35 -15.379 11.205 17.511 1.00 44.11 H new ATOM 0 HD2 LYS A 35 -12.417 11.269 16.805 1.00 24.12 H new ATOM 0 HD3 LYS A 35 -13.272 9.919 17.525 1.00 24.12 H new ATOM 0 HE2 LYS A 35 -14.741 10.675 15.190 1.00 4.42 H new ATOM 0 HE3 LYS A 35 -13.049 10.645 14.735 1.00 4.42 H new ATOM 0 HZ1 LYS A 35 -14.073 8.485 14.440 1.00 2.21 H new ATOM 0 HZ2 LYS A 35 -12.872 8.399 15.638 1.00 2.21 H new ATOM 0 HZ3 LYS A 35 -14.512 8.427 16.080 1.00 2.21 H new ATOM 562 N GLU A 36 -13.638 16.034 15.744 1.00 31.32 N ATOM 563 CA GLU A 36 -13.880 17.201 14.905 1.00 15.30 C ATOM 564 C GLU A 36 -12.808 17.329 13.827 1.00 21.31 C ATOM 565 O GLU A 36 -13.032 17.938 12.781 1.00 44.20 O ATOM 566 CB GLU A 36 -13.916 18.471 15.758 1.00 44.44 C ATOM 567 CG GLU A 36 -14.062 19.747 14.944 1.00 32.54 C ATOM 568 CD GLU A 36 -14.156 20.985 15.814 1.00 40.32 C ATOM 569 OE1 GLU A 36 -14.697 20.883 16.935 1.00 71.01 O ATOM 570 OE2 GLU A 36 -13.689 22.057 15.374 1.00 71.52 O ATOM 0 H GLU A 36 -13.542 16.241 16.738 1.00 31.32 H new ATOM 0 HA GLU A 36 -14.846 17.072 14.417 1.00 15.30 H new ATOM 0 HB2 GLU A 36 -14.745 18.402 16.462 1.00 44.44 H new ATOM 0 HB3 GLU A 36 -13.001 18.529 16.348 1.00 44.44 H new ATOM 0 HG2 GLU A 36 -13.210 19.844 14.271 1.00 32.54 H new ATOM 0 HG3 GLU A 36 -14.954 19.676 14.321 1.00 32.54 H new ATOM 577 N LYS A 37 -11.641 16.750 14.090 1.00 33.43 N ATOM 578 CA LYS A 37 -10.533 16.796 13.144 1.00 3.34 C ATOM 579 C LYS A 37 -10.730 15.780 12.024 1.00 21.34 C ATOM 580 O LYS A 37 -9.974 15.758 11.053 1.00 52.43 O ATOM 581 CB LYS A 37 -9.209 16.527 13.864 1.00 13.54 C ATOM 582 CG LYS A 37 -9.006 15.070 14.239 1.00 63.55 C ATOM 583 CD LYS A 37 -8.176 14.929 15.504 1.00 50.22 C ATOM 584 CE LYS A 37 -8.262 13.522 16.073 1.00 32.55 C ATOM 585 NZ LYS A 37 -7.218 13.276 17.107 1.00 51.44 N ATOM 0 H LYS A 37 -11.438 16.243 14.952 1.00 33.43 H new ATOM 0 HA LYS A 37 -10.505 17.793 12.705 1.00 3.34 H new ATOM 0 HB2 LYS A 37 -8.386 16.847 13.225 1.00 13.54 H new ATOM 0 HB3 LYS A 37 -9.166 17.135 14.767 1.00 13.54 H new ATOM 0 HG2 LYS A 37 -9.975 14.592 14.384 1.00 63.55 H new ATOM 0 HG3 LYS A 37 -8.513 14.548 13.419 1.00 63.55 H new ATOM 0 HD2 LYS A 37 -7.136 15.172 15.287 1.00 50.22 H new ATOM 0 HD3 LYS A 37 -8.522 15.646 16.249 1.00 50.22 H new ATOM 0 HE2 LYS A 37 -9.249 13.367 16.509 1.00 32.55 H new ATOM 0 HE3 LYS A 37 -8.152 12.797 15.267 1.00 32.55 H new ATOM 0 HZ1 LYS A 37 -7.311 12.306 17.470 1.00 51.44 H new ATOM 0 HZ2 LYS A 37 -6.276 13.399 16.685 1.00 51.44 H new ATOM 0 HZ3 LYS A 37 -7.338 13.951 17.889 1.00 51.44 H new ATOM 599 N ARG A 38 -11.750 14.940 12.166 1.00 31.15 N ATOM 600 CA ARG A 38 -12.046 13.921 11.166 1.00 12.43 C ATOM 601 C ARG A 38 -12.131 14.536 9.773 1.00 52.55 C ATOM 602 O ARG A 38 -11.819 13.886 8.775 1.00 32.21 O ATOM 603 CB ARG A 38 -13.359 13.212 11.503 1.00 21.23 C ATOM 604 CG ARG A 38 -13.647 12.011 10.617 1.00 30.01 C ATOM 605 CD ARG A 38 -15.091 11.553 10.752 1.00 62.12 C ATOM 606 NE ARG A 38 -15.471 10.622 9.693 1.00 64.41 N ATOM 607 CZ ARG A 38 -15.835 11.004 8.474 1.00 62.31 C ATOM 608 NH1 ARG A 38 -15.868 12.292 8.162 1.00 60.24 N ATOM 609 NH2 ARG A 38 -16.166 10.096 7.564 1.00 14.33 N ATOM 0 H ARG A 38 -12.385 14.945 12.964 1.00 31.15 H new ATOM 0 HA ARG A 38 -11.235 13.193 11.174 1.00 12.43 H new ATOM 0 HB2 ARG A 38 -13.330 12.887 12.543 1.00 21.23 H new ATOM 0 HB3 ARG A 38 -14.180 13.924 11.414 1.00 21.23 H new ATOM 0 HG2 ARG A 38 -13.441 12.266 9.578 1.00 30.01 H new ATOM 0 HG3 ARG A 38 -12.978 11.192 10.883 1.00 30.01 H new ATOM 0 HD2 ARG A 38 -15.231 11.075 11.722 1.00 62.12 H new ATOM 0 HD3 ARG A 38 -15.750 12.421 10.726 1.00 62.12 H new ATOM 0 HE ARG A 38 -15.456 9.624 9.901 1.00 64.41 H new ATOM 0 HH11 ARG A 38 -15.614 12.992 8.859 1.00 60.24 H new ATOM 0 HH12 ARG A 38 -16.148 12.583 7.225 1.00 60.24 H new ATOM 0 HH21 ARG A 38 -16.141 9.104 7.801 1.00 14.33 H new ATOM 0 HH22 ARG A 38 -16.445 10.390 6.628 1.00 14.33 H new ATOM 623 N VAL A 39 -12.556 15.795 9.711 1.00 33.54 N ATOM 624 CA VAL A 39 -12.682 16.498 8.441 1.00 51.14 C ATOM 625 C VAL A 39 -11.357 16.512 7.687 1.00 40.22 C ATOM 626 O VAL A 39 -11.325 16.710 6.473 1.00 60.43 O ATOM 627 CB VAL A 39 -13.158 17.948 8.647 1.00 54.24 C ATOM 628 CG1 VAL A 39 -13.250 18.675 7.313 1.00 22.05 C ATOM 629 CG2 VAL A 39 -14.497 17.971 9.369 1.00 52.34 C ATOM 0 H VAL A 39 -12.819 16.348 10.527 1.00 33.54 H new ATOM 0 HA VAL A 39 -13.426 15.959 7.853 1.00 51.14 H new ATOM 0 HB VAL A 39 -12.427 18.467 9.267 1.00 54.24 H new ATOM 0 HG11 VAL A 39 -13.588 19.698 7.479 1.00 22.05 H new ATOM 0 HG12 VAL A 39 -12.269 18.689 6.838 1.00 22.05 H new ATOM 0 HG13 VAL A 39 -13.959 18.159 6.666 1.00 22.05 H new ATOM 0 HG21 VAL A 39 -14.819 19.003 9.506 1.00 52.34 H new ATOM 0 HG22 VAL A 39 -15.239 17.436 8.777 1.00 52.34 H new ATOM 0 HG23 VAL A 39 -14.394 17.491 10.342 1.00 52.34 H new ATOM 639 N GLU A 40 -10.265 16.301 8.416 1.00 54.14 N ATOM 640 CA GLU A 40 -8.937 16.290 7.815 1.00 41.02 C ATOM 641 C GLU A 40 -8.779 15.105 6.866 1.00 43.52 C ATOM 642 O GLU A 40 -7.989 15.154 5.922 1.00 20.23 O ATOM 643 CB GLU A 40 -7.862 16.234 8.902 1.00 64.31 C ATOM 644 CG GLU A 40 -6.463 16.535 8.391 1.00 62.44 C ATOM 645 CD GLU A 40 -5.519 16.970 9.495 1.00 71.12 C ATOM 646 OE1 GLU A 40 -4.910 16.089 10.137 1.00 1.30 O ATOM 647 OE2 GLU A 40 -5.390 18.192 9.716 1.00 1.33 O ATOM 0 H GLU A 40 -10.274 16.136 9.422 1.00 54.14 H new ATOM 0 HA GLU A 40 -8.817 17.210 7.243 1.00 41.02 H new ATOM 0 HB2 GLU A 40 -8.114 16.947 9.687 1.00 64.31 H new ATOM 0 HB3 GLU A 40 -7.868 15.243 9.357 1.00 64.31 H new ATOM 0 HG2 GLU A 40 -6.060 15.648 7.902 1.00 62.44 H new ATOM 0 HG3 GLU A 40 -6.517 17.318 7.635 1.00 62.44 H new ATOM 654 N ILE A 41 -9.535 14.044 7.124 1.00 64.44 N ATOM 655 CA ILE A 41 -9.479 12.847 6.293 1.00 50.11 C ATOM 656 C ILE A 41 -9.744 13.182 4.829 1.00 61.41 C ATOM 657 O ILE A 41 -9.351 12.436 3.931 1.00 51.42 O ATOM 658 CB ILE A 41 -10.498 11.790 6.759 1.00 41.41 C ATOM 659 CG1 ILE A 41 -11.924 12.264 6.472 1.00 12.21 C ATOM 660 CG2 ILE A 41 -10.319 11.499 8.241 1.00 3.44 C ATOM 661 CD1 ILE A 41 -12.560 11.581 5.281 1.00 2.43 C ATOM 0 H ILE A 41 -10.193 13.988 7.901 1.00 64.44 H new ATOM 0 HA ILE A 41 -8.473 12.439 6.394 1.00 50.11 H new ATOM 0 HB ILE A 41 -10.323 10.868 6.204 1.00 41.41 H new ATOM 0 HG12 ILE A 41 -12.541 12.088 7.353 1.00 12.21 H new ATOM 0 HG13 ILE A 41 -11.913 13.340 6.300 1.00 12.21 H new ATOM 0 HG21 ILE A 41 -11.046 10.750 8.555 1.00 3.44 H new ATOM 0 HG22 ILE A 41 -9.311 11.123 8.419 1.00 3.44 H new ATOM 0 HG23 ILE A 41 -10.471 12.415 8.813 1.00 3.44 H new ATOM 0 HD11 ILE A 41 -13.569 11.966 5.137 1.00 2.43 H new ATOM 0 HD12 ILE A 41 -11.966 11.778 4.389 1.00 2.43 H new ATOM 0 HD13 ILE A 41 -12.604 10.506 5.458 1.00 2.43 H new ATOM 673 N ILE A 42 -10.411 14.307 4.596 1.00 5.22 N ATOM 674 CA ILE A 42 -10.725 14.742 3.241 1.00 70.21 C ATOM 675 C ILE A 42 -9.480 14.743 2.361 1.00 24.00 C ATOM 676 O ILE A 42 -9.563 14.542 1.150 1.00 42.12 O ATOM 677 CB ILE A 42 -11.348 16.150 3.232 1.00 44.43 C ATOM 678 CG1 ILE A 42 -11.933 16.464 1.853 1.00 32.03 C ATOM 679 CG2 ILE A 42 -10.309 17.191 3.621 1.00 4.30 C ATOM 680 CD1 ILE A 42 -10.964 17.171 0.932 1.00 53.22 C ATOM 0 H ILE A 42 -10.744 14.934 5.328 1.00 5.22 H new ATOM 0 HA ILE A 42 -11.448 14.031 2.841 1.00 70.21 H new ATOM 0 HB ILE A 42 -12.155 16.179 3.964 1.00 44.43 H new ATOM 0 HG12 ILE A 42 -12.255 15.534 1.384 1.00 32.03 H new ATOM 0 HG13 ILE A 42 -12.822 17.083 1.977 1.00 32.03 H new ATOM 0 HG21 ILE A 42 -10.764 18.181 3.610 1.00 4.30 H new ATOM 0 HG22 ILE A 42 -9.934 16.975 4.621 1.00 4.30 H new ATOM 0 HG23 ILE A 42 -9.483 17.164 2.910 1.00 4.30 H new ATOM 0 HD11 ILE A 42 -11.446 17.362 -0.027 1.00 53.22 H new ATOM 0 HD12 ILE A 42 -10.661 18.117 1.380 1.00 53.22 H new ATOM 0 HD13 ILE A 42 -10.085 16.544 0.778 1.00 53.22 H new ATOM 692 N ALA A 43 -8.325 14.969 2.979 1.00 31.14 N ATOM 693 CA ALA A 43 -7.061 14.992 2.253 1.00 14.24 C ATOM 694 C ALA A 43 -6.528 13.581 2.035 1.00 23.50 C ATOM 695 O ALA A 43 -6.121 13.226 0.929 1.00 22.23 O ATOM 696 CB ALA A 43 -6.039 15.835 3.001 1.00 41.43 C ATOM 0 H ALA A 43 -8.239 15.139 3.981 1.00 31.14 H new ATOM 0 HA ALA A 43 -7.239 15.440 1.275 1.00 14.24 H new ATOM 0 HB1 ALA A 43 -5.100 15.844 2.448 1.00 41.43 H new ATOM 0 HB2 ALA A 43 -6.411 16.855 3.100 1.00 41.43 H new ATOM 0 HB3 ALA A 43 -5.873 15.411 3.991 1.00 41.43 H new ATOM 702 N GLU A 44 -6.532 12.780 3.097 1.00 40.34 N ATOM 703 CA GLU A 44 -6.046 11.408 3.019 1.00 32.55 C ATOM 704 C GLU A 44 -6.842 10.606 1.994 1.00 60.44 C ATOM 705 O GLU A 44 -6.351 9.621 1.444 1.00 60.30 O ATOM 706 CB GLU A 44 -6.136 10.734 4.390 1.00 25.33 C ATOM 707 CG GLU A 44 -5.487 9.360 4.437 1.00 52.31 C ATOM 708 CD GLU A 44 -3.983 9.431 4.615 1.00 10.02 C ATOM 709 OE1 GLU A 44 -3.465 10.544 4.847 1.00 74.14 O ATOM 710 OE2 GLU A 44 -3.324 8.375 4.523 1.00 22.43 O ATOM 0 H GLU A 44 -6.866 13.058 4.020 1.00 40.34 H new ATOM 0 HA GLU A 44 -5.003 11.436 2.702 1.00 32.55 H new ATOM 0 HB2 GLU A 44 -5.662 11.376 5.133 1.00 25.33 H new ATOM 0 HB3 GLU A 44 -7.185 10.641 4.672 1.00 25.33 H new ATOM 0 HG2 GLU A 44 -5.919 8.786 5.257 1.00 52.31 H new ATOM 0 HG3 GLU A 44 -5.715 8.823 3.516 1.00 52.31 H new ATOM 717 N ASN A 45 -8.074 11.036 1.742 1.00 72.41 N ATOM 718 CA ASN A 45 -8.939 10.358 0.783 1.00 33.43 C ATOM 719 C ASN A 45 -9.365 11.307 -0.332 1.00 45.53 C ATOM 720 O ASN A 45 -10.494 11.797 -0.368 1.00 4.11 O ATOM 721 CB ASN A 45 -10.175 9.796 1.489 1.00 73.34 C ATOM 722 CG ASN A 45 -10.134 8.285 1.612 1.00 24.20 C ATOM 723 OD1 ASN A 45 -9.720 7.746 2.639 1.00 62.24 O ATOM 724 ND2 ASN A 45 -10.563 7.594 0.563 1.00 73.43 N ATOM 0 H ASN A 45 -8.496 11.850 2.188 1.00 72.41 H new ATOM 0 HA ASN A 45 -8.375 9.537 0.341 1.00 33.43 H new ATOM 0 HB2 ASN A 45 -10.254 10.237 2.483 1.00 73.34 H new ATOM 0 HB3 ASN A 45 -11.069 10.089 0.938 1.00 73.34 H new ATOM 0 HD21 ASN A 45 -10.558 6.574 0.587 1.00 73.43 H new ATOM 0 HD22 ASN A 45 -10.898 8.083 -0.267 1.00 73.43 H new ATOM 731 N PRO A 46 -8.440 11.575 -1.266 1.00 62.34 N ATOM 732 CA PRO A 46 -8.696 12.467 -2.401 1.00 63.43 C ATOM 733 C PRO A 46 -9.675 11.864 -3.403 1.00 22.01 C ATOM 734 O PRO A 46 -10.117 12.537 -4.333 1.00 54.01 O ATOM 735 CB PRO A 46 -7.314 12.635 -3.039 1.00 32.22 C ATOM 736 CG PRO A 46 -6.566 11.407 -2.650 1.00 63.33 C ATOM 737 CD PRO A 46 -7.073 11.026 -1.287 1.00 13.31 C ATOM 0 HA PRO A 46 -9.153 13.405 -2.087 1.00 63.43 H new ATOM 0 HB2 PRO A 46 -7.387 12.728 -4.123 1.00 32.22 H new ATOM 0 HB3 PRO A 46 -6.816 13.534 -2.675 1.00 32.22 H new ATOM 0 HG2 PRO A 46 -6.735 10.604 -3.367 1.00 63.33 H new ATOM 0 HG3 PRO A 46 -5.492 11.595 -2.628 1.00 63.33 H new ATOM 0 HD2 PRO A 46 -7.072 9.945 -1.145 1.00 13.31 H new ATOM 0 HD3 PRO A 46 -6.457 11.452 -0.495 1.00 13.31 H new ATOM 745 N GLU A 47 -10.009 10.592 -3.205 1.00 42.45 N ATOM 746 CA GLU A 47 -10.936 9.900 -4.093 1.00 1.20 C ATOM 747 C GLU A 47 -12.305 10.575 -4.083 1.00 64.23 C ATOM 748 O GLU A 47 -12.840 10.931 -5.133 1.00 41.14 O ATOM 749 CB GLU A 47 -11.075 8.434 -3.678 1.00 61.14 C ATOM 750 CG GLU A 47 -11.526 7.522 -4.807 1.00 54.41 C ATOM 751 CD GLU A 47 -10.485 7.390 -5.902 1.00 35.22 C ATOM 752 OE1 GLU A 47 -9.279 7.405 -5.578 1.00 14.43 O ATOM 753 OE2 GLU A 47 -10.876 7.271 -7.082 1.00 33.23 O ATOM 0 H GLU A 47 -9.652 10.021 -2.439 1.00 42.45 H new ATOM 0 HA GLU A 47 -10.534 9.947 -5.105 1.00 1.20 H new ATOM 0 HB2 GLU A 47 -10.117 8.080 -3.297 1.00 61.14 H new ATOM 0 HB3 GLU A 47 -11.789 8.363 -2.858 1.00 61.14 H new ATOM 0 HG2 GLU A 47 -11.751 6.535 -4.404 1.00 54.41 H new ATOM 0 HG3 GLU A 47 -12.451 7.910 -5.235 1.00 54.41 H new ATOM 760 N ILE A 48 -12.865 10.746 -2.891 1.00 22.13 N ATOM 761 CA ILE A 48 -14.170 11.378 -2.744 1.00 32.31 C ATOM 762 C ILE A 48 -14.032 12.822 -2.276 1.00 12.33 C ATOM 763 O ILE A 48 -15.023 13.482 -1.965 1.00 13.04 O ATOM 764 CB ILE A 48 -15.059 10.610 -1.748 1.00 24.44 C ATOM 765 CG1 ILE A 48 -14.785 11.081 -0.318 1.00 42.10 C ATOM 766 CG2 ILE A 48 -14.821 9.112 -1.872 1.00 32.02 C ATOM 767 CD1 ILE A 48 -13.333 10.964 0.089 1.00 3.02 C ATOM 0 H ILE A 48 -12.435 10.456 -2.013 1.00 22.13 H new ATOM 0 HA ILE A 48 -14.641 11.361 -3.727 1.00 32.31 H new ATOM 0 HB ILE A 48 -16.103 10.814 -1.984 1.00 24.44 H new ATOM 0 HG12 ILE A 48 -15.099 12.120 -0.220 1.00 42.10 H new ATOM 0 HG13 ILE A 48 -15.395 10.497 0.371 1.00 42.10 H new ATOM 0 HG21 ILE A 48 -15.456 8.583 -1.162 1.00 32.02 H new ATOM 0 HG22 ILE A 48 -15.061 8.788 -2.885 1.00 32.02 H new ATOM 0 HG23 ILE A 48 -13.775 8.891 -1.658 1.00 32.02 H new ATOM 0 HD11 ILE A 48 -13.213 11.315 1.114 1.00 3.02 H new ATOM 0 HD12 ILE A 48 -13.020 9.922 0.024 1.00 3.02 H new ATOM 0 HD13 ILE A 48 -12.719 11.570 -0.577 1.00 3.02 H new ATOM 779 N ALA A 49 -12.796 13.308 -2.230 1.00 10.22 N ATOM 780 CA ALA A 49 -12.528 14.676 -1.804 1.00 12.15 C ATOM 781 C ALA A 49 -13.422 15.666 -2.542 1.00 14.31 C ATOM 782 O ALA A 49 -14.120 16.470 -1.923 1.00 40.21 O ATOM 783 CB ALA A 49 -11.062 15.020 -2.023 1.00 54.04 C ATOM 0 H ALA A 49 -11.964 12.774 -2.483 1.00 10.22 H new ATOM 0 HA ALA A 49 -12.751 14.749 -0.740 1.00 12.15 H new ATOM 0 HB1 ALA A 49 -10.877 16.045 -1.700 1.00 54.04 H new ATOM 0 HB2 ALA A 49 -10.438 14.339 -1.444 1.00 54.04 H new ATOM 0 HB3 ALA A 49 -10.820 14.923 -3.081 1.00 54.04 H new ATOM 789 N LYS A 50 -13.397 15.604 -3.869 1.00 21.41 N ATOM 790 CA LYS A 50 -14.205 16.494 -4.693 1.00 55.11 C ATOM 791 C LYS A 50 -15.492 15.805 -5.138 1.00 44.31 C ATOM 792 O LYS A 50 -16.011 16.079 -6.220 1.00 14.40 O ATOM 793 CB LYS A 50 -13.410 16.952 -5.917 1.00 43.24 C ATOM 794 CG LYS A 50 -13.950 18.221 -6.554 1.00 5.43 C ATOM 795 CD LYS A 50 -13.278 18.506 -7.887 1.00 34.31 C ATOM 796 CE LYS A 50 -11.926 19.175 -7.699 1.00 1.55 C ATOM 797 NZ LYS A 50 -10.863 18.191 -7.353 1.00 40.41 N ATOM 0 H LYS A 50 -12.825 14.945 -4.397 1.00 21.41 H new ATOM 0 HA LYS A 50 -14.468 17.365 -4.092 1.00 55.11 H new ATOM 0 HB2 LYS A 50 -12.372 17.115 -5.626 1.00 43.24 H new ATOM 0 HB3 LYS A 50 -13.411 16.154 -6.660 1.00 43.24 H new ATOM 0 HG2 LYS A 50 -15.026 18.126 -6.701 1.00 5.43 H new ATOM 0 HG3 LYS A 50 -13.794 19.063 -5.879 1.00 5.43 H new ATOM 0 HD2 LYS A 50 -13.150 17.574 -8.438 1.00 34.31 H new ATOM 0 HD3 LYS A 50 -13.921 19.147 -8.490 1.00 34.31 H new ATOM 0 HE2 LYS A 50 -11.651 19.700 -8.613 1.00 1.55 H new ATOM 0 HE3 LYS A 50 -11.998 19.924 -6.910 1.00 1.55 H new ATOM 0 HZ1 LYS A 50 -9.991 18.427 -7.868 1.00 40.41 H new ATOM 0 HZ2 LYS A 50 -10.680 18.223 -6.330 1.00 40.41 H new ATOM 0 HZ3 LYS A 50 -11.175 17.235 -7.620 1.00 40.41 H new ATOM 811 N ASP A 51 -16.000 14.912 -4.297 1.00 33.21 N ATOM 812 CA ASP A 51 -17.227 14.186 -4.603 1.00 34.32 C ATOM 813 C ASP A 51 -18.441 15.104 -4.504 1.00 14.33 C ATOM 814 O ASP A 51 -18.828 15.524 -3.413 1.00 32.22 O ATOM 815 CB ASP A 51 -17.392 12.998 -3.654 1.00 34.33 C ATOM 816 CG ASP A 51 -18.377 11.971 -4.177 1.00 72.13 C ATOM 817 OD1 ASP A 51 -18.924 12.182 -5.280 1.00 13.25 O ATOM 818 OD2 ASP A 51 -18.601 10.956 -3.484 1.00 55.13 O ATOM 0 H ASP A 51 -15.581 14.673 -3.398 1.00 33.21 H new ATOM 0 HA ASP A 51 -17.156 13.817 -5.626 1.00 34.32 H new ATOM 0 HB2 ASP A 51 -16.423 12.522 -3.500 1.00 34.33 H new ATOM 0 HB3 ASP A 51 -17.729 13.358 -2.682 1.00 34.33 H new ATOM 823 N VAL A 52 -19.038 15.414 -5.650 1.00 71.14 N ATOM 824 CA VAL A 52 -20.208 16.283 -5.693 1.00 71.22 C ATOM 825 C VAL A 52 -21.469 15.527 -5.290 1.00 71.22 C ATOM 826 O VAL A 52 -22.413 16.112 -4.759 1.00 62.45 O ATOM 827 CB VAL A 52 -20.410 16.884 -7.097 1.00 3.12 C ATOM 828 CG1 VAL A 52 -19.265 17.823 -7.445 1.00 63.34 C ATOM 829 CG2 VAL A 52 -20.540 15.780 -8.135 1.00 41.02 C ATOM 0 H VAL A 52 -18.730 15.076 -6.562 1.00 71.14 H new ATOM 0 HA VAL A 52 -20.029 17.090 -4.983 1.00 71.22 H new ATOM 0 HB VAL A 52 -21.334 17.461 -7.097 1.00 3.12 H new ATOM 0 HG11 VAL A 52 -19.425 18.238 -8.440 1.00 63.34 H new ATOM 0 HG12 VAL A 52 -19.224 18.633 -6.716 1.00 63.34 H new ATOM 0 HG13 VAL A 52 -18.325 17.272 -7.428 1.00 63.34 H new ATOM 0 HG21 VAL A 52 -20.682 16.222 -9.121 1.00 41.02 H new ATOM 0 HG22 VAL A 52 -19.634 15.174 -8.137 1.00 41.02 H new ATOM 0 HG23 VAL A 52 -21.397 15.152 -7.892 1.00 41.02 H new ATOM 839 N ALA A 53 -21.478 14.223 -5.546 1.00 25.43 N ATOM 840 CA ALA A 53 -22.622 13.385 -5.207 1.00 44.22 C ATOM 841 C ALA A 53 -22.722 13.176 -3.700 1.00 51.10 C ATOM 842 O ALA A 53 -23.801 12.911 -3.171 1.00 53.43 O ATOM 843 CB ALA A 53 -22.525 12.046 -5.923 1.00 33.24 C ATOM 0 H ALA A 53 -20.706 13.724 -5.987 1.00 25.43 H new ATOM 0 HA ALA A 53 -23.527 13.896 -5.537 1.00 44.22 H new ATOM 0 HB1 ALA A 53 -23.385 11.430 -5.661 1.00 33.24 H new ATOM 0 HB2 ALA A 53 -22.511 12.210 -7.001 1.00 33.24 H new ATOM 0 HB3 ALA A 53 -21.609 11.537 -5.621 1.00 33.24 H new ATOM 849 N ALA A 54 -21.590 13.296 -3.014 1.00 13.01 N ATOM 850 CA ALA A 54 -21.552 13.121 -1.567 1.00 43.33 C ATOM 851 C ALA A 54 -22.474 14.116 -0.870 1.00 23.55 C ATOM 852 O ALA A 54 -22.948 13.864 0.239 1.00 42.12 O ATOM 853 CB ALA A 54 -20.127 13.271 -1.055 1.00 42.04 C ATOM 0 H ALA A 54 -20.688 13.514 -3.437 1.00 13.01 H new ATOM 0 HA ALA A 54 -21.905 12.116 -1.337 1.00 43.33 H new ATOM 0 HB1 ALA A 54 -20.113 13.138 0.027 1.00 42.04 H new ATOM 0 HB2 ALA A 54 -19.492 12.518 -1.521 1.00 42.04 H new ATOM 0 HB3 ALA A 54 -19.754 14.265 -1.303 1.00 42.04 H new ATOM 859 N ILE A 55 -22.723 15.244 -1.525 1.00 0.45 N ATOM 860 CA ILE A 55 -23.589 16.276 -0.966 1.00 64.33 C ATOM 861 C ILE A 55 -25.058 15.891 -1.098 1.00 72.43 C ATOM 862 O ILE A 55 -25.892 16.297 -0.291 1.00 13.43 O ATOM 863 CB ILE A 55 -23.362 17.635 -1.655 1.00 22.51 C ATOM 864 CG1 ILE A 55 -21.904 18.073 -1.498 1.00 54.40 C ATOM 865 CG2 ILE A 55 -24.301 18.683 -1.079 1.00 54.42 C ATOM 866 CD1 ILE A 55 -21.022 17.664 -2.657 1.00 12.43 C ATOM 0 H ILE A 55 -22.338 15.467 -2.443 1.00 0.45 H new ATOM 0 HA ILE A 55 -23.333 16.366 0.090 1.00 64.33 H new ATOM 0 HB ILE A 55 -23.577 17.528 -2.718 1.00 22.51 H new ATOM 0 HG12 ILE A 55 -21.868 19.157 -1.390 1.00 54.40 H new ATOM 0 HG13 ILE A 55 -21.502 17.647 -0.578 1.00 54.40 H new ATOM 0 HG21 ILE A 55 -24.129 19.638 -1.576 1.00 54.42 H new ATOM 0 HG22 ILE A 55 -25.334 18.373 -1.237 1.00 54.42 H new ATOM 0 HG23 ILE A 55 -24.114 18.791 -0.011 1.00 54.42 H new ATOM 0 HD11 ILE A 55 -20.003 18.007 -2.478 1.00 12.43 H new ATOM 0 HD12 ILE A 55 -21.027 16.578 -2.753 1.00 12.43 H new ATOM 0 HD13 ILE A 55 -21.399 18.111 -3.577 1.00 12.43 H new ATOM 878 N GLY A 56 -25.368 15.101 -2.122 1.00 41.24 N ATOM 879 CA GLY A 56 -26.737 14.672 -2.341 1.00 10.41 C ATOM 880 C GLY A 56 -27.102 13.454 -1.516 1.00 3.22 C ATOM 881 O GLY A 56 -28.254 13.288 -1.115 1.00 0.31 O ATOM 0 H GLY A 56 -24.695 14.751 -2.804 1.00 41.24 H new ATOM 0 HA2 GLY A 56 -27.414 15.490 -2.095 1.00 10.41 H new ATOM 0 HA3 GLY A 56 -26.879 14.447 -3.398 1.00 10.41 H new ATOM 885 N LYS A 57 -26.118 12.598 -1.262 1.00 33.41 N ATOM 886 CA LYS A 57 -26.340 11.387 -0.480 1.00 11.34 C ATOM 887 C LYS A 57 -26.267 11.684 1.015 1.00 40.32 C ATOM 888 O LYS A 57 -26.801 10.936 1.833 1.00 71.35 O ATOM 889 CB LYS A 57 -25.308 10.320 -0.849 1.00 64.03 C ATOM 890 CG LYS A 57 -23.926 10.586 -0.277 1.00 40.22 C ATOM 891 CD LYS A 57 -22.866 9.740 -0.962 1.00 72.40 C ATOM 892 CE LYS A 57 -22.890 8.304 -0.460 1.00 63.12 C ATOM 893 NZ LYS A 57 -22.572 8.219 0.992 1.00 33.22 N ATOM 0 H LYS A 57 -25.159 12.720 -1.586 1.00 33.41 H new ATOM 0 HA LYS A 57 -27.338 11.014 -0.711 1.00 11.34 H new ATOM 0 HB2 LYS A 57 -25.658 9.350 -0.495 1.00 64.03 H new ATOM 0 HB3 LYS A 57 -25.236 10.256 -1.935 1.00 64.03 H new ATOM 0 HG2 LYS A 57 -23.681 11.642 -0.392 1.00 40.22 H new ATOM 0 HG3 LYS A 57 -23.927 10.374 0.792 1.00 40.22 H new ATOM 0 HD2 LYS A 57 -23.029 9.753 -2.040 1.00 72.40 H new ATOM 0 HD3 LYS A 57 -21.882 10.173 -0.783 1.00 72.40 H new ATOM 0 HE2 LYS A 57 -23.874 7.872 -0.642 1.00 63.12 H new ATOM 0 HE3 LYS A 57 -22.171 7.710 -1.025 1.00 63.12 H new ATOM 0 HZ1 LYS A 57 -22.218 7.267 1.215 1.00 33.22 H new ATOM 0 HZ2 LYS A 57 -21.844 8.923 1.230 1.00 33.22 H new ATOM 0 HZ3 LYS A 57 -23.431 8.408 1.547 1.00 33.22 H new ATOM 907 N MET A 58 -25.604 12.782 1.364 1.00 63.15 N ATOM 908 CA MET A 58 -25.464 13.179 2.760 1.00 61.51 C ATOM 909 C MET A 58 -26.820 13.194 3.459 1.00 44.30 C ATOM 910 O MET A 58 -26.910 12.949 4.662 1.00 35.02 O ATOM 911 CB MET A 58 -24.811 14.559 2.857 1.00 23.54 C ATOM 912 CG MET A 58 -25.789 15.708 2.680 1.00 53.04 C ATOM 913 SD MET A 58 -24.964 17.299 2.484 1.00 2.12 S ATOM 914 CE MET A 58 -25.794 18.268 3.742 1.00 65.33 C ATOM 0 H MET A 58 -25.155 13.412 0.699 1.00 63.15 H new ATOM 0 HA MET A 58 -24.827 12.448 3.258 1.00 61.51 H new ATOM 0 HB2 MET A 58 -24.324 14.654 3.827 1.00 23.54 H new ATOM 0 HB3 MET A 58 -24.031 14.637 2.100 1.00 23.54 H new ATOM 0 HG2 MET A 58 -26.414 15.517 1.807 1.00 53.04 H new ATOM 0 HG3 MET A 58 -26.453 15.751 3.544 1.00 53.04 H new ATOM 0 HE1 MET A 58 -25.392 19.281 3.745 1.00 65.33 H new ATOM 0 HE2 MET A 58 -26.862 18.302 3.529 1.00 65.33 H new ATOM 0 HE3 MET A 58 -25.633 17.811 4.718 1.00 65.33 H new ATOM 924 N ILE A 59 -27.869 13.484 2.698 1.00 54.31 N ATOM 925 CA ILE A 59 -29.220 13.531 3.245 1.00 25.11 C ATOM 926 C ILE A 59 -29.621 12.183 3.835 1.00 65.03 C ATOM 927 O ILE A 59 -29.984 12.089 5.006 1.00 11.53 O ATOM 928 CB ILE A 59 -30.248 13.936 2.173 1.00 70.13 C ATOM 929 CG1 ILE A 59 -29.861 15.276 1.544 1.00 61.11 C ATOM 930 CG2 ILE A 59 -31.642 14.011 2.778 1.00 40.45 C ATOM 931 CD1 ILE A 59 -29.769 16.408 2.543 1.00 64.01 C ATOM 0 H ILE A 59 -27.810 13.690 1.701 1.00 54.31 H new ATOM 0 HA ILE A 59 -29.215 14.283 4.034 1.00 25.11 H new ATOM 0 HB ILE A 59 -30.253 13.177 1.390 1.00 70.13 H new ATOM 0 HG12 ILE A 59 -28.900 15.168 1.040 1.00 61.11 H new ATOM 0 HG13 ILE A 59 -30.594 15.535 0.780 1.00 61.11 H new ATOM 0 HG21 ILE A 59 -32.358 14.298 2.008 1.00 40.45 H new ATOM 0 HG22 ILE A 59 -31.916 13.037 3.183 1.00 40.45 H new ATOM 0 HG23 ILE A 59 -31.652 14.752 3.578 1.00 40.45 H new ATOM 0 HD11 ILE A 59 -29.491 17.327 2.027 1.00 64.01 H new ATOM 0 HD12 ILE A 59 -30.735 16.543 3.029 1.00 64.01 H new ATOM 0 HD13 ILE A 59 -29.015 16.171 3.293 1.00 64.01 H new ATOM 943 N GLY A 60 -29.550 11.139 3.014 1.00 42.31 N ATOM 944 CA GLY A 60 -29.907 9.809 3.472 1.00 2.52 C ATOM 945 C GLY A 60 -28.842 9.197 4.361 1.00 51.24 C ATOM 946 O GLY A 60 -29.124 8.291 5.144 1.00 1.34 O ATOM 0 H GLY A 60 -29.252 11.191 2.040 1.00 42.31 H new ATOM 0 HA2 GLY A 60 -30.849 9.857 4.019 1.00 2.52 H new ATOM 0 HA3 GLY A 60 -30.071 9.163 2.610 1.00 2.52 H new ATOM 950 N ALA A 61 -27.615 9.691 4.237 1.00 4.51 N ATOM 951 CA ALA A 61 -26.504 9.187 5.035 1.00 12.35 C ATOM 952 C ALA A 61 -26.481 9.837 6.415 1.00 23.40 C ATOM 953 O ALA A 61 -25.852 9.325 7.341 1.00 11.53 O ATOM 954 CB ALA A 61 -25.185 9.426 4.315 1.00 34.32 C ATOM 0 H ALA A 61 -27.365 10.440 3.591 1.00 4.51 H new ATOM 0 HA ALA A 61 -26.642 8.114 5.169 1.00 12.35 H new ATOM 0 HB1 ALA A 61 -24.364 9.045 4.923 1.00 34.32 H new ATOM 0 HB2 ALA A 61 -25.196 8.910 3.355 1.00 34.32 H new ATOM 0 HB3 ALA A 61 -25.049 10.495 4.151 1.00 34.32 H new ATOM 960 N ALA A 62 -27.169 10.966 6.544 1.00 1.21 N ATOM 961 CA ALA A 62 -27.228 11.684 7.811 1.00 3.41 C ATOM 962 C ALA A 62 -27.628 10.754 8.951 1.00 10.43 C ATOM 963 O ALA A 62 -26.937 10.669 9.967 1.00 72.04 O ATOM 964 CB ALA A 62 -28.200 12.850 7.712 1.00 12.42 C ATOM 0 H ALA A 62 -27.694 11.403 5.786 1.00 1.21 H new ATOM 0 HA ALA A 62 -26.233 12.073 8.027 1.00 3.41 H new ATOM 0 HB1 ALA A 62 -28.234 13.377 8.665 1.00 12.42 H new ATOM 0 HB2 ALA A 62 -27.869 13.534 6.931 1.00 12.42 H new ATOM 0 HB3 ALA A 62 -29.194 12.475 7.469 1.00 12.42 H new ATOM 970 N TRP A 63 -28.747 10.061 8.777 1.00 21.42 N ATOM 971 CA TRP A 63 -29.239 9.137 9.793 1.00 13.00 C ATOM 972 C TRP A 63 -28.355 7.898 9.876 1.00 32.42 C ATOM 973 O TRP A 63 -28.302 7.230 10.908 1.00 1.54 O ATOM 974 CB TRP A 63 -30.681 8.730 9.486 1.00 54.31 C ATOM 975 CG TRP A 63 -31.680 9.805 9.792 1.00 1.23 C ATOM 976 CD1 TRP A 63 -31.477 11.154 9.730 1.00 4.35 C ATOM 977 CD2 TRP A 63 -33.037 9.621 10.210 1.00 22.41 C ATOM 978 NE1 TRP A 63 -32.626 11.820 10.085 1.00 64.52 N ATOM 979 CE2 TRP A 63 -33.597 10.901 10.383 1.00 54.44 C ATOM 980 CE3 TRP A 63 -33.833 8.499 10.453 1.00 33.51 C ATOM 981 CZ2 TRP A 63 -34.916 11.088 10.788 1.00 73.30 C ATOM 982 CZ3 TRP A 63 -35.142 8.685 10.856 1.00 50.23 C ATOM 983 CH2 TRP A 63 -35.673 9.971 11.019 1.00 13.51 C ATOM 0 H TRP A 63 -29.331 10.121 7.943 1.00 21.42 H new ATOM 0 HA TRP A 63 -29.210 9.646 10.756 1.00 13.00 H new ATOM 0 HB2 TRP A 63 -30.759 8.461 8.433 1.00 54.31 H new ATOM 0 HB3 TRP A 63 -30.930 7.838 10.062 1.00 54.31 H new ATOM 0 HD1 TRP A 63 -30.550 11.628 9.444 1.00 4.35 H new ATOM 0 HE1 TRP A 63 -32.737 12.833 10.121 1.00 64.52 H new ATOM 0 HE3 TRP A 63 -33.433 7.504 10.328 1.00 33.51 H new ATOM 0 HZ2 TRP A 63 -35.327 12.079 10.915 1.00 73.30 H new ATOM 0 HZ3 TRP A 63 -35.766 7.825 11.048 1.00 50.23 H new ATOM 0 HH2 TRP A 63 -36.700 10.084 11.333 1.00 13.51 H new ATOM 994 N ASN A 64 -27.663 7.595 8.783 1.00 43.42 N ATOM 995 CA ASN A 64 -26.781 6.435 8.733 1.00 23.01 C ATOM 996 C ASN A 64 -25.355 6.819 9.117 1.00 21.43 C ATOM 997 O ASN A 64 -24.419 6.044 8.921 1.00 3.31 O ATOM 998 CB ASN A 64 -26.795 5.817 7.334 1.00 50.05 C ATOM 999 CG ASN A 64 -28.202 5.549 6.834 1.00 3.41 C ATOM 1000 OD1 ASN A 64 -29.165 5.606 7.598 1.00 11.44 O ATOM 1001 ND2 ASN A 64 -28.326 5.255 5.545 1.00 4.11 N ATOM 0 H ASN A 64 -27.696 8.137 7.920 1.00 43.42 H new ATOM 0 HA ASN A 64 -27.147 5.701 9.451 1.00 23.01 H new ATOM 0 HB2 ASN A 64 -26.287 6.486 6.639 1.00 50.05 H new ATOM 0 HB3 ASN A 64 -26.233 4.883 7.347 1.00 50.05 H new ATOM 0 HD21 ASN A 64 -29.248 5.065 5.152 1.00 4.11 H new ATOM 0 HD22 ASN A 64 -27.500 5.219 4.948 1.00 4.11 H new ATOM 1008 N ALA A 65 -25.198 8.019 9.666 1.00 34.22 N ATOM 1009 CA ALA A 65 -23.888 8.504 10.080 1.00 1.35 C ATOM 1010 C ALA A 65 -23.412 7.792 11.342 1.00 71.31 C ATOM 1011 O ALA A 65 -22.220 7.528 11.506 1.00 11.23 O ATOM 1012 CB ALA A 65 -23.929 10.008 10.305 1.00 13.54 C ATOM 0 H ALA A 65 -25.962 8.673 9.834 1.00 34.22 H new ATOM 0 HA ALA A 65 -23.179 8.286 9.282 1.00 1.35 H new ATOM 0 HB1 ALA A 65 -22.944 10.357 10.614 1.00 13.54 H new ATOM 0 HB2 ALA A 65 -24.217 10.507 9.379 1.00 13.54 H new ATOM 0 HB3 ALA A 65 -24.656 10.240 11.083 1.00 13.54 H new ATOM 1018 N LEU A 66 -24.350 7.483 12.231 1.00 61.24 N ATOM 1019 CA LEU A 66 -24.026 6.801 13.479 1.00 71.32 C ATOM 1020 C LEU A 66 -24.000 5.288 13.282 1.00 12.31 C ATOM 1021 O LEU A 66 -24.265 4.790 12.188 1.00 12.02 O ATOM 1022 CB LEU A 66 -25.042 7.168 14.562 1.00 3.21 C ATOM 1023 CG LEU A 66 -24.733 8.428 15.371 1.00 13.34 C ATOM 1024 CD1 LEU A 66 -23.427 8.267 16.133 1.00 10.13 C ATOM 1025 CD2 LEU A 66 -24.675 9.646 14.461 1.00 41.12 C ATOM 0 H LEU A 66 -25.341 7.694 12.111 1.00 61.24 H new ATOM 0 HA LEU A 66 -23.034 7.125 13.795 1.00 71.32 H new ATOM 0 HB2 LEU A 66 -26.017 7.293 14.091 1.00 3.21 H new ATOM 0 HB3 LEU A 66 -25.127 6.329 15.252 1.00 3.21 H new ATOM 0 HG LEU A 66 -25.535 8.577 16.094 1.00 13.34 H new ATOM 0 HD11 LEU A 66 -23.224 9.174 16.703 1.00 10.13 H new ATOM 0 HD12 LEU A 66 -23.506 7.420 16.815 1.00 10.13 H new ATOM 0 HD13 LEU A 66 -22.614 8.092 15.429 1.00 10.13 H new ATOM 0 HD21 LEU A 66 -24.454 10.533 15.054 1.00 41.12 H new ATOM 0 HD22 LEU A 66 -23.894 9.505 13.714 1.00 41.12 H new ATOM 0 HD23 LEU A 66 -25.636 9.773 13.962 1.00 41.12 H new ATOM 1037 N SER A 67 -23.681 4.563 14.349 1.00 11.34 N ATOM 1038 CA SER A 67 -23.619 3.107 14.294 1.00 52.41 C ATOM 1039 C SER A 67 -24.985 2.518 13.955 1.00 10.11 C ATOM 1040 O SER A 67 -26.020 3.056 14.349 1.00 33.52 O ATOM 1041 CB SER A 67 -23.125 2.546 15.628 1.00 35.45 C ATOM 1042 OG SER A 67 -22.259 1.443 15.428 1.00 23.41 O ATOM 0 H SER A 67 -23.461 4.960 15.263 1.00 11.34 H new ATOM 0 HA SER A 67 -22.917 2.827 13.509 1.00 52.41 H new ATOM 0 HB2 SER A 67 -22.604 3.326 16.183 1.00 35.45 H new ATOM 0 HB3 SER A 67 -23.977 2.238 16.234 1.00 35.45 H new ATOM 0 HG SER A 67 -22.757 0.706 15.017 1.00 23.41 H new ATOM 1048 N ASP A 68 -24.979 1.410 13.222 1.00 1.31 N ATOM 1049 CA ASP A 68 -26.216 0.746 12.830 1.00 35.11 C ATOM 1050 C ASP A 68 -26.872 0.068 14.029 1.00 73.32 C ATOM 1051 O ASP A 68 -28.049 0.291 14.313 1.00 45.11 O ATOM 1052 CB ASP A 68 -25.942 -0.284 11.733 1.00 52.32 C ATOM 1053 CG ASP A 68 -25.389 0.349 10.471 1.00 64.50 C ATOM 1054 OD1 ASP A 68 -24.305 0.964 10.543 1.00 42.24 O ATOM 1055 OD2 ASP A 68 -26.040 0.228 9.412 1.00 42.41 O ATOM 0 H ASP A 68 -24.131 0.953 12.887 1.00 1.31 H new ATOM 0 HA ASP A 68 -26.899 1.503 12.444 1.00 35.11 H new ATOM 0 HB2 ASP A 68 -25.235 -1.026 12.104 1.00 52.32 H new ATOM 0 HB3 ASP A 68 -26.865 -0.813 11.496 1.00 52.32 H new ATOM 1060 N GLU A 69 -26.103 -0.762 14.727 1.00 12.11 N ATOM 1061 CA GLU A 69 -26.611 -1.474 15.894 1.00 52.12 C ATOM 1062 C GLU A 69 -27.126 -0.496 16.946 1.00 33.21 C ATOM 1063 O GLU A 69 -28.000 -0.832 17.745 1.00 62.30 O ATOM 1064 CB GLU A 69 -25.517 -2.358 16.496 1.00 71.24 C ATOM 1065 CG GLU A 69 -24.220 -1.617 16.774 1.00 33.23 C ATOM 1066 CD GLU A 69 -23.213 -1.760 15.650 1.00 72.52 C ATOM 1067 OE1 GLU A 69 -23.282 -0.966 14.688 1.00 24.32 O ATOM 1068 OE2 GLU A 69 -22.357 -2.666 15.731 1.00 74.13 O ATOM 0 H GLU A 69 -25.127 -0.958 14.505 1.00 12.11 H new ATOM 0 HA GLU A 69 -27.440 -2.104 15.571 1.00 52.12 H new ATOM 0 HB2 GLU A 69 -25.884 -2.793 17.426 1.00 71.24 H new ATOM 0 HB3 GLU A 69 -25.314 -3.185 15.815 1.00 71.24 H new ATOM 0 HG2 GLU A 69 -24.436 -0.560 16.930 1.00 33.23 H new ATOM 0 HG3 GLU A 69 -23.782 -1.993 17.699 1.00 33.23 H new ATOM 1075 N GLU A 70 -26.578 0.715 16.939 1.00 23.34 N ATOM 1076 CA GLU A 70 -26.981 1.741 17.894 1.00 23.51 C ATOM 1077 C GLU A 70 -28.053 2.648 17.298 1.00 62.14 C ATOM 1078 O GLU A 70 -28.562 3.549 17.965 1.00 71.32 O ATOM 1079 CB GLU A 70 -25.771 2.575 18.321 1.00 31.54 C ATOM 1080 CG GLU A 70 -25.681 2.792 19.823 1.00 72.35 C ATOM 1081 CD GLU A 70 -24.383 3.455 20.239 1.00 24.43 C ATOM 1082 OE1 GLU A 70 -23.625 3.889 19.347 1.00 25.13 O ATOM 1083 OE2 GLU A 70 -24.125 3.539 21.459 1.00 51.05 O ATOM 0 H GLU A 70 -25.854 1.010 16.283 1.00 23.34 H new ATOM 0 HA GLU A 70 -27.397 1.243 18.770 1.00 23.51 H new ATOM 0 HB2 GLU A 70 -24.861 2.082 17.978 1.00 31.54 H new ATOM 0 HB3 GLU A 70 -25.815 3.544 17.824 1.00 31.54 H new ATOM 0 HG2 GLU A 70 -26.520 3.407 20.148 1.00 72.35 H new ATOM 0 HG3 GLU A 70 -25.774 1.832 20.331 1.00 72.35 H new ATOM 1090 N LYS A 71 -28.391 2.404 16.036 1.00 43.21 N ATOM 1091 CA LYS A 71 -29.402 3.197 15.347 1.00 11.13 C ATOM 1092 C LYS A 71 -30.792 2.604 15.554 1.00 71.34 C ATOM 1093 O LYS A 71 -31.802 3.241 15.252 1.00 64.20 O ATOM 1094 CB LYS A 71 -29.087 3.276 13.852 1.00 43.51 C ATOM 1095 CG LYS A 71 -30.107 4.072 13.056 1.00 2.54 C ATOM 1096 CD LYS A 71 -29.649 4.292 11.624 1.00 0.03 C ATOM 1097 CE LYS A 71 -30.389 3.381 10.657 1.00 42.02 C ATOM 1098 NZ LYS A 71 -29.638 3.197 9.384 1.00 21.21 N ATOM 0 H LYS A 71 -27.979 1.663 15.469 1.00 43.21 H new ATOM 0 HA LYS A 71 -29.388 4.202 15.768 1.00 11.13 H new ATOM 0 HB2 LYS A 71 -28.104 3.727 13.720 1.00 43.51 H new ATOM 0 HB3 LYS A 71 -29.031 2.265 13.447 1.00 43.51 H new ATOM 0 HG2 LYS A 71 -31.061 3.546 13.057 1.00 2.54 H new ATOM 0 HG3 LYS A 71 -30.274 5.035 13.538 1.00 2.54 H new ATOM 0 HD2 LYS A 71 -29.814 5.332 11.344 1.00 0.03 H new ATOM 0 HD3 LYS A 71 -28.577 4.108 11.551 1.00 0.03 H new ATOM 0 HE2 LYS A 71 -30.553 2.411 11.125 1.00 42.02 H new ATOM 0 HE3 LYS A 71 -31.371 3.801 10.442 1.00 42.02 H new ATOM 0 HZ1 LYS A 71 -30.141 2.517 8.779 1.00 21.21 H new ATOM 0 HZ2 LYS A 71 -29.562 4.109 8.891 1.00 21.21 H new ATOM 0 HZ3 LYS A 71 -28.685 2.836 9.592 1.00 21.21 H new ATOM 1112 N LYS A 72 -30.837 1.381 16.071 1.00 74.44 N ATOM 1113 CA LYS A 72 -32.103 0.701 16.320 1.00 13.54 C ATOM 1114 C LYS A 72 -32.902 1.421 17.402 1.00 34.35 C ATOM 1115 O LYS A 72 -34.077 1.746 17.228 1.00 41.03 O ATOM 1116 CB LYS A 72 -31.854 -0.750 16.736 1.00 64.12 C ATOM 1117 CG LYS A 72 -30.718 -1.414 15.975 1.00 15.34 C ATOM 1118 CD LYS A 72 -30.892 -1.265 14.473 1.00 4.12 C ATOM 1119 CE LYS A 72 -32.193 -1.892 13.997 1.00 22.53 C ATOM 1120 NZ LYS A 72 -32.281 -3.333 14.366 1.00 54.42 N ATOM 0 H LYS A 72 -30.011 0.840 16.326 1.00 74.44 H new ATOM 0 HA LYS A 72 -32.681 0.713 15.396 1.00 13.54 H new ATOM 0 HB2 LYS A 72 -31.632 -0.781 17.803 1.00 64.12 H new ATOM 0 HB3 LYS A 72 -32.767 -1.325 16.584 1.00 64.12 H new ATOM 0 HG2 LYS A 72 -29.769 -0.972 16.278 1.00 15.34 H new ATOM 0 HG3 LYS A 72 -30.674 -2.472 16.234 1.00 15.34 H new ATOM 0 HD2 LYS A 72 -30.878 -0.208 14.207 1.00 4.12 H new ATOM 0 HD3 LYS A 72 -30.052 -1.734 13.960 1.00 4.12 H new ATOM 0 HE2 LYS A 72 -33.036 -1.354 14.431 1.00 22.53 H new ATOM 0 HE3 LYS A 72 -32.272 -1.789 12.915 1.00 22.53 H new ATOM 0 HZ1 LYS A 72 -33.084 -3.770 13.870 1.00 54.42 H new ATOM 0 HZ2 LYS A 72 -31.401 -3.816 14.093 1.00 54.42 H new ATOM 0 HZ3 LYS A 72 -32.419 -3.421 15.393 1.00 54.42 H new ATOM 1134 N PRO A 73 -32.253 1.677 18.547 1.00 25.15 N ATOM 1135 CA PRO A 73 -32.883 2.362 19.679 1.00 13.44 C ATOM 1136 C PRO A 73 -33.153 3.835 19.388 1.00 25.24 C ATOM 1137 O PRO A 73 -33.909 4.491 20.105 1.00 71.13 O ATOM 1138 CB PRO A 73 -31.851 2.219 20.801 1.00 73.03 C ATOM 1139 CG PRO A 73 -30.548 2.059 20.098 1.00 64.04 C ATOM 1140 CD PRO A 73 -30.852 1.318 18.825 1.00 23.32 C ATOM 0 HA PRO A 73 -33.857 1.937 19.921 1.00 13.44 H new ATOM 0 HB2 PRO A 73 -31.846 3.096 21.449 1.00 73.03 H new ATOM 0 HB3 PRO A 73 -32.069 1.357 21.432 1.00 73.03 H new ATOM 0 HG2 PRO A 73 -30.097 3.029 19.887 1.00 64.04 H new ATOM 0 HG3 PRO A 73 -29.839 1.504 20.712 1.00 64.04 H new ATOM 0 HD2 PRO A 73 -30.190 1.624 18.014 1.00 23.32 H new ATOM 0 HD3 PRO A 73 -30.730 0.242 18.948 1.00 23.32 H new ATOM 1148 N TYR A 74 -32.530 4.348 18.333 1.00 25.04 N ATOM 1149 CA TYR A 74 -32.701 5.744 17.949 1.00 3.01 C ATOM 1150 C TYR A 74 -32.166 6.677 19.031 1.00 23.35 C ATOM 1151 O TYR A 74 -32.467 7.870 19.042 1.00 64.34 O ATOM 1152 CB TYR A 74 -34.177 6.045 17.685 1.00 31.22 C ATOM 1153 CG TYR A 74 -34.850 5.032 16.786 1.00 10.41 C ATOM 1154 CD1 TYR A 74 -34.442 4.865 15.468 1.00 30.04 C ATOM 1155 CD2 TYR A 74 -35.894 4.244 17.254 1.00 51.14 C ATOM 1156 CE1 TYR A 74 -35.054 3.942 14.643 1.00 72.31 C ATOM 1157 CE2 TYR A 74 -36.511 3.317 16.436 1.00 51.42 C ATOM 1158 CZ TYR A 74 -36.088 3.170 15.131 1.00 1.14 C ATOM 1159 OH TYR A 74 -36.701 2.249 14.313 1.00 1.01 O ATOM 0 H TYR A 74 -31.902 3.818 17.729 1.00 25.04 H new ATOM 0 HA TYR A 74 -32.133 5.914 17.035 1.00 3.01 H new ATOM 0 HB2 TYR A 74 -34.707 6.083 18.637 1.00 31.22 H new ATOM 0 HB3 TYR A 74 -34.262 7.033 17.233 1.00 31.22 H new ATOM 0 HD1 TYR A 74 -33.633 5.467 15.082 1.00 30.04 H new ATOM 0 HD2 TYR A 74 -36.229 4.358 18.274 1.00 51.14 H new ATOM 0 HE1 TYR A 74 -34.725 3.825 13.621 1.00 72.31 H new ATOM 0 HE2 TYR A 74 -37.320 2.711 16.816 1.00 51.42 H new ATOM 0 HH TYR A 74 -37.408 1.788 14.811 1.00 1.01 H new ATOM 1169 N GLU A 75 -31.370 6.122 19.941 1.00 41.33 N ATOM 1170 CA GLU A 75 -30.793 6.904 21.028 1.00 44.01 C ATOM 1171 C GLU A 75 -29.552 7.658 20.557 1.00 30.50 C ATOM 1172 O GLU A 75 -29.475 8.881 20.672 1.00 71.14 O ATOM 1173 CB GLU A 75 -30.434 5.995 22.205 1.00 33.32 C ATOM 1174 CG GLU A 75 -31.588 5.759 23.165 1.00 31.13 C ATOM 1175 CD GLU A 75 -31.307 4.642 24.152 1.00 10.31 C ATOM 1176 OE1 GLU A 75 -31.026 3.511 23.705 1.00 51.15 O ATOM 1177 OE2 GLU A 75 -31.368 4.901 25.372 1.00 30.35 O ATOM 0 H GLU A 75 -31.111 5.135 19.947 1.00 41.33 H new ATOM 0 HA GLU A 75 -31.537 7.631 21.353 1.00 44.01 H new ATOM 0 HB2 GLU A 75 -30.090 5.035 21.820 1.00 33.32 H new ATOM 0 HB3 GLU A 75 -29.601 6.436 22.753 1.00 33.32 H new ATOM 0 HG2 GLU A 75 -31.794 6.679 23.712 1.00 31.13 H new ATOM 0 HG3 GLU A 75 -32.486 5.518 22.596 1.00 31.13 H new ATOM 1184 N ARG A 76 -28.583 6.918 20.028 1.00 71.23 N ATOM 1185 CA ARG A 76 -27.345 7.515 19.541 1.00 32.21 C ATOM 1186 C ARG A 76 -27.617 8.444 18.361 1.00 24.24 C ATOM 1187 O ARG A 76 -27.220 9.609 18.372 1.00 35.24 O ATOM 1188 CB ARG A 76 -26.356 6.424 19.128 1.00 62.33 C ATOM 1189 CG ARG A 76 -24.912 6.895 19.085 1.00 4.51 C ATOM 1190 CD ARG A 76 -24.282 6.887 20.469 1.00 2.11 C ATOM 1191 NE ARG A 76 -22.823 6.850 20.406 1.00 31.35 N ATOM 1192 CZ ARG A 76 -22.072 7.910 20.131 1.00 1.14 C ATOM 1193 NH1 ARG A 76 -22.639 9.085 19.895 1.00 1.13 N ATOM 1194 NH2 ARG A 76 -20.750 7.796 20.093 1.00 54.53 N ATOM 0 H ARG A 76 -28.631 5.904 19.926 1.00 71.23 H new ATOM 0 HA ARG A 76 -26.911 8.102 20.350 1.00 32.21 H new ATOM 0 HB2 ARG A 76 -26.436 5.590 19.825 1.00 62.33 H new ATOM 0 HB3 ARG A 76 -26.635 6.046 18.145 1.00 62.33 H new ATOM 0 HG2 ARG A 76 -24.338 6.251 18.419 1.00 4.51 H new ATOM 0 HG3 ARG A 76 -24.869 7.902 18.670 1.00 4.51 H new ATOM 0 HD2 ARG A 76 -24.599 7.775 21.017 1.00 2.11 H new ATOM 0 HD3 ARG A 76 -24.643 6.023 21.027 1.00 2.11 H new ATOM 0 HE ARG A 76 -22.355 5.961 20.583 1.00 31.35 H new ATOM 0 HH11 ARG A 76 -23.654 9.176 19.924 1.00 1.13 H new ATOM 0 HH12 ARG A 76 -22.060 9.898 19.684 1.00 1.13 H new ATOM 0 HH21 ARG A 76 -20.310 6.894 20.275 1.00 54.53 H new ATOM 0 HH22 ARG A 76 -20.174 8.611 19.882 1.00 54.53 H new ATOM 1208 N MET A 77 -28.294 7.919 17.345 1.00 0.24 N ATOM 1209 CA MET A 77 -28.619 8.702 16.159 1.00 63.14 C ATOM 1210 C MET A 77 -29.361 9.980 16.537 1.00 44.05 C ATOM 1211 O MET A 77 -29.311 10.975 15.813 1.00 74.52 O ATOM 1212 CB MET A 77 -29.466 7.873 15.191 1.00 13.42 C ATOM 1213 CG MET A 77 -30.911 7.712 15.635 1.00 72.33 C ATOM 1214 SD MET A 77 -32.025 8.860 14.804 1.00 14.50 S ATOM 1215 CE MET A 77 -32.552 7.871 13.407 1.00 33.22 C ATOM 0 H MET A 77 -28.628 6.956 17.319 1.00 0.24 H new ATOM 0 HA MET A 77 -27.685 8.977 15.669 1.00 63.14 H new ATOM 0 HB2 MET A 77 -29.446 8.344 14.208 1.00 13.42 H new ATOM 0 HB3 MET A 77 -29.016 6.886 15.080 1.00 13.42 H new ATOM 0 HG2 MET A 77 -31.236 6.690 15.438 1.00 72.33 H new ATOM 0 HG3 MET A 77 -30.975 7.865 16.712 1.00 72.33 H new ATOM 0 HE1 MET A 77 -33.615 8.032 13.228 1.00 33.22 H new ATOM 0 HE2 MET A 77 -31.987 8.162 12.521 1.00 33.22 H new ATOM 0 HE3 MET A 77 -32.375 6.817 13.620 1.00 33.22 H new ATOM 1225 N SER A 78 -30.048 9.946 17.674 1.00 63.11 N ATOM 1226 CA SER A 78 -30.803 11.101 18.145 1.00 32.44 C ATOM 1227 C SER A 78 -29.869 12.170 18.703 1.00 51.32 C ATOM 1228 O SER A 78 -29.972 13.345 18.350 1.00 53.31 O ATOM 1229 CB SER A 78 -31.808 10.676 19.218 1.00 71.30 C ATOM 1230 OG SER A 78 -32.221 11.785 19.998 1.00 61.42 O ATOM 0 H SER A 78 -30.097 9.131 18.286 1.00 63.11 H new ATOM 0 HA SER A 78 -31.343 11.522 17.297 1.00 32.44 H new ATOM 0 HB2 SER A 78 -32.676 10.216 18.746 1.00 71.30 H new ATOM 0 HB3 SER A 78 -31.359 9.921 19.863 1.00 71.30 H new ATOM 0 HG SER A 78 -32.864 11.487 20.675 1.00 61.42 H new ATOM 1236 N ASP A 79 -28.958 11.754 19.575 1.00 2.53 N ATOM 1237 CA ASP A 79 -28.004 12.676 20.182 1.00 63.41 C ATOM 1238 C ASP A 79 -27.155 13.359 19.115 1.00 43.33 C ATOM 1239 O ASP A 79 -26.563 14.410 19.359 1.00 53.34 O ATOM 1240 CB ASP A 79 -27.103 11.933 21.170 1.00 64.25 C ATOM 1241 CG ASP A 79 -27.840 11.521 22.429 1.00 64.23 C ATOM 1242 OD1 ASP A 79 -28.317 12.416 23.156 1.00 3.32 O ATOM 1243 OD2 ASP A 79 -27.939 10.303 22.687 1.00 24.30 O ATOM 0 H ASP A 79 -28.859 10.785 19.878 1.00 2.53 H new ATOM 0 HA ASP A 79 -28.566 13.441 20.718 1.00 63.41 H new ATOM 0 HB2 ASP A 79 -26.692 11.047 20.687 1.00 64.25 H new ATOM 0 HB3 ASP A 79 -26.260 12.570 21.438 1.00 64.25 H new ATOM 1248 N GLU A 80 -27.099 12.754 17.932 1.00 13.13 N ATOM 1249 CA GLU A 80 -26.321 13.305 16.829 1.00 63.50 C ATOM 1250 C GLU A 80 -26.850 14.676 16.420 1.00 14.14 C ATOM 1251 O GLU A 80 -26.174 15.431 15.722 1.00 53.53 O ATOM 1252 CB GLU A 80 -26.353 12.355 15.629 1.00 2.24 C ATOM 1253 CG GLU A 80 -25.677 12.917 14.390 1.00 53.50 C ATOM 1254 CD GLU A 80 -26.672 13.405 13.354 1.00 5.12 C ATOM 1255 OE1 GLU A 80 -27.766 13.859 13.750 1.00 24.15 O ATOM 1256 OE2 GLU A 80 -26.356 13.333 12.148 1.00 33.02 O ATOM 0 H GLU A 80 -27.583 11.883 17.714 1.00 13.13 H new ATOM 0 HA GLU A 80 -25.291 13.419 17.167 1.00 63.50 H new ATOM 0 HB2 GLU A 80 -25.868 11.419 15.904 1.00 2.24 H new ATOM 0 HB3 GLU A 80 -27.390 12.118 15.391 1.00 2.24 H new ATOM 0 HG2 GLU A 80 -25.025 13.741 14.679 1.00 53.50 H new ATOM 0 HG3 GLU A 80 -25.043 12.149 13.946 1.00 53.50 H new ATOM 1263 N ASP A 81 -28.064 14.990 16.860 1.00 2.15 N ATOM 1264 CA ASP A 81 -28.685 16.270 16.542 1.00 51.33 C ATOM 1265 C ASP A 81 -27.738 17.426 16.849 1.00 23.30 C ATOM 1266 O ASP A 81 -27.785 18.470 16.199 1.00 60.14 O ATOM 1267 CB ASP A 81 -29.987 16.439 17.327 1.00 42.22 C ATOM 1268 CG ASP A 81 -30.462 17.878 17.357 1.00 52.40 C ATOM 1269 OD1 ASP A 81 -30.492 18.516 16.284 1.00 62.44 O ATOM 1270 OD2 ASP A 81 -30.804 18.368 18.454 1.00 2.01 O ATOM 0 H ASP A 81 -28.637 14.375 17.438 1.00 2.15 H new ATOM 0 HA ASP A 81 -28.909 16.281 15.475 1.00 51.33 H new ATOM 0 HB2 ASP A 81 -30.760 15.813 16.881 1.00 42.22 H new ATOM 0 HB3 ASP A 81 -29.841 16.086 18.348 1.00 42.22 H new ATOM 1275 N ARG A 82 -26.879 17.231 17.845 1.00 51.43 N ATOM 1276 CA ARG A 82 -25.922 18.258 18.240 1.00 72.03 C ATOM 1277 C ARG A 82 -24.660 18.182 17.386 1.00 41.12 C ATOM 1278 O ARG A 82 -24.335 19.118 16.655 1.00 4.13 O ATOM 1279 CB ARG A 82 -25.560 18.106 19.718 1.00 15.23 C ATOM 1280 CG ARG A 82 -24.390 18.974 20.151 1.00 22.31 C ATOM 1281 CD ARG A 82 -24.704 20.453 19.992 1.00 10.02 C ATOM 1282 NE ARG A 82 -25.753 20.891 20.909 1.00 51.21 N ATOM 1283 CZ ARG A 82 -26.331 22.086 20.848 1.00 64.13 C ATOM 1284 NH1 ARG A 82 -25.963 22.957 19.918 1.00 71.31 N ATOM 1285 NH2 ARG A 82 -27.278 22.411 21.718 1.00 53.44 N ATOM 0 H ARG A 82 -26.826 16.372 18.393 1.00 51.43 H new ATOM 0 HA ARG A 82 -26.387 19.232 18.085 1.00 72.03 H new ATOM 0 HB2 ARG A 82 -26.431 18.356 20.324 1.00 15.23 H new ATOM 0 HB3 ARG A 82 -25.321 17.062 19.919 1.00 15.23 H new ATOM 0 HG2 ARG A 82 -24.145 18.763 21.192 1.00 22.31 H new ATOM 0 HG3 ARG A 82 -23.510 18.722 19.559 1.00 22.31 H new ATOM 0 HD2 ARG A 82 -23.801 21.037 20.169 1.00 10.02 H new ATOM 0 HD3 ARG A 82 -25.014 20.650 18.966 1.00 10.02 H new ATOM 0 HE ARG A 82 -26.059 20.244 21.636 1.00 51.21 H new ATOM 0 HH11 ARG A 82 -25.235 22.710 19.248 1.00 71.31 H new ATOM 0 HH12 ARG A 82 -26.408 23.874 19.873 1.00 71.31 H new ATOM 0 HH21 ARG A 82 -27.563 21.743 22.435 1.00 53.44 H new ATOM 0 HH22 ARG A 82 -27.721 23.328 21.670 1.00 53.44 H new ATOM 1299 N VAL A 83 -23.952 17.061 17.484 1.00 41.34 N ATOM 1300 CA VAL A 83 -22.726 16.863 16.720 1.00 23.43 C ATOM 1301 C VAL A 83 -22.962 17.091 15.232 1.00 70.34 C ATOM 1302 O VAL A 83 -22.035 17.411 14.487 1.00 11.15 O ATOM 1303 CB VAL A 83 -22.159 15.445 16.928 1.00 41.53 C ATOM 1304 CG1 VAL A 83 -21.972 15.157 18.409 1.00 24.43 C ATOM 1305 CG2 VAL A 83 -23.068 14.409 16.285 1.00 51.12 C ATOM 0 H VAL A 83 -24.206 16.277 18.085 1.00 41.34 H new ATOM 0 HA VAL A 83 -22.004 17.593 17.085 1.00 23.43 H new ATOM 0 HB VAL A 83 -21.183 15.388 16.446 1.00 41.53 H new ATOM 0 HG11 VAL A 83 -21.571 14.151 18.536 1.00 24.43 H new ATOM 0 HG12 VAL A 83 -21.278 15.881 18.836 1.00 24.43 H new ATOM 0 HG13 VAL A 83 -22.933 15.232 18.918 1.00 24.43 H new ATOM 0 HG21 VAL A 83 -22.653 13.413 16.441 1.00 51.12 H new ATOM 0 HG22 VAL A 83 -24.059 14.464 16.736 1.00 51.12 H new ATOM 0 HG23 VAL A 83 -23.145 14.606 15.216 1.00 51.12 H new ATOM 1315 N ARG A 84 -24.209 16.924 14.804 1.00 72.13 N ATOM 1316 CA ARG A 84 -24.568 17.111 13.403 1.00 22.00 C ATOM 1317 C ARG A 84 -24.017 18.432 12.873 1.00 74.44 C ATOM 1318 O ARG A 84 -23.671 18.544 11.696 1.00 33.13 O ATOM 1319 CB ARG A 84 -26.088 17.075 13.234 1.00 2.25 C ATOM 1320 CG ARG A 84 -26.554 17.435 11.833 1.00 1.23 C ATOM 1321 CD ARG A 84 -28.071 17.506 11.752 1.00 43.52 C ATOM 1322 NE ARG A 84 -28.551 17.384 10.378 1.00 35.23 N ATOM 1323 CZ ARG A 84 -28.496 18.369 9.489 1.00 4.23 C ATOM 1324 NH1 ARG A 84 -27.982 19.544 9.828 1.00 31.30 N ATOM 1325 NH2 ARG A 84 -28.953 18.181 8.258 1.00 35.42 N ATOM 0 H ARG A 84 -24.988 16.660 15.407 1.00 72.13 H new ATOM 0 HA ARG A 84 -24.127 16.296 12.829 1.00 22.00 H new ATOM 0 HB2 ARG A 84 -26.449 16.077 13.483 1.00 2.25 H new ATOM 0 HB3 ARG A 84 -26.541 17.764 13.947 1.00 2.25 H new ATOM 0 HG2 ARG A 84 -26.128 18.395 11.542 1.00 1.23 H new ATOM 0 HG3 ARG A 84 -26.185 16.694 11.124 1.00 1.23 H new ATOM 0 HD2 ARG A 84 -28.504 16.711 12.359 1.00 43.52 H new ATOM 0 HD3 ARG A 84 -28.413 18.451 12.173 1.00 43.52 H new ATOM 0 HE ARG A 84 -28.951 16.493 10.085 1.00 35.23 H new ATOM 0 HH11 ARG A 84 -27.628 19.692 10.773 1.00 31.30 H new ATOM 0 HH12 ARG A 84 -27.941 20.299 9.144 1.00 31.30 H new ATOM 0 HH21 ARG A 84 -29.348 17.279 7.993 1.00 35.42 H new ATOM 0 HH22 ARG A 84 -28.910 18.939 7.577 1.00 35.42 H new ATOM 1339 N TYR A 85 -23.940 19.428 13.747 1.00 10.14 N ATOM 1340 CA TYR A 85 -23.435 20.742 13.367 1.00 62.22 C ATOM 1341 C TYR A 85 -21.973 20.660 12.937 1.00 74.24 C ATOM 1342 O TYR A 85 -21.570 21.277 11.951 1.00 31.24 O ATOM 1343 CB TYR A 85 -23.581 21.724 14.530 1.00 52.40 C ATOM 1344 CG TYR A 85 -23.440 23.173 14.120 1.00 33.03 C ATOM 1345 CD1 TYR A 85 -22.229 23.669 13.653 1.00 34.14 C ATOM 1346 CD2 TYR A 85 -24.519 24.046 14.199 1.00 22.44 C ATOM 1347 CE1 TYR A 85 -22.096 24.992 13.279 1.00 71.12 C ATOM 1348 CE2 TYR A 85 -24.395 25.370 13.826 1.00 70.24 C ATOM 1349 CZ TYR A 85 -23.182 25.838 13.367 1.00 43.25 C ATOM 1350 OH TYR A 85 -23.053 27.156 12.993 1.00 13.40 O ATOM 0 H TYR A 85 -24.221 19.351 14.725 1.00 10.14 H new ATOM 0 HA TYR A 85 -24.024 21.099 12.523 1.00 62.22 H new ATOM 0 HB2 TYR A 85 -24.556 21.580 14.996 1.00 52.40 H new ATOM 0 HB3 TYR A 85 -22.830 21.494 15.285 1.00 52.40 H new ATOM 0 HD1 TYR A 85 -21.377 23.009 13.581 1.00 34.14 H new ATOM 0 HD2 TYR A 85 -25.471 23.683 14.558 1.00 22.44 H new ATOM 0 HE1 TYR A 85 -21.147 25.362 12.920 1.00 71.12 H new ATOM 0 HE2 TYR A 85 -25.243 26.035 13.893 1.00 70.24 H new ATOM 0 HH TYR A 85 -23.910 27.616 13.114 1.00 13.40 H new ATOM 1360 N GLU A 86 -21.186 19.892 13.683 1.00 4.24 N ATOM 1361 CA GLU A 86 -19.769 19.729 13.380 1.00 42.13 C ATOM 1362 C GLU A 86 -19.564 18.685 12.286 1.00 45.12 C ATOM 1363 O GLU A 86 -18.621 18.773 11.499 1.00 71.54 O ATOM 1364 CB GLU A 86 -18.998 19.324 14.638 1.00 71.21 C ATOM 1365 CG GLU A 86 -19.386 20.120 15.872 1.00 11.33 C ATOM 1366 CD GLU A 86 -19.241 21.616 15.671 1.00 50.23 C ATOM 1367 OE1 GLU A 86 -18.164 22.051 15.211 1.00 21.52 O ATOM 1368 OE2 GLU A 86 -20.203 22.352 15.972 1.00 15.23 O ATOM 0 H GLU A 86 -21.505 19.373 14.501 1.00 4.24 H new ATOM 0 HA GLU A 86 -19.388 20.685 13.022 1.00 42.13 H new ATOM 0 HB2 GLU A 86 -19.166 18.265 14.832 1.00 71.21 H new ATOM 0 HB3 GLU A 86 -17.931 19.449 14.456 1.00 71.21 H new ATOM 0 HG2 GLU A 86 -20.418 19.891 16.138 1.00 11.33 H new ATOM 0 HG3 GLU A 86 -18.764 19.808 16.711 1.00 11.33 H new ATOM 1375 N ARG A 87 -20.452 17.698 12.244 1.00 32.21 N ATOM 1376 CA ARG A 87 -20.368 16.636 11.249 1.00 72.22 C ATOM 1377 C ARG A 87 -20.490 17.203 9.837 1.00 23.44 C ATOM 1378 O ARG A 87 -19.741 16.821 8.939 1.00 45.01 O ATOM 1379 CB ARG A 87 -21.464 15.595 11.488 1.00 0.52 C ATOM 1380 CG ARG A 87 -21.556 14.545 10.394 1.00 52.04 C ATOM 1381 CD ARG A 87 -22.602 14.915 9.353 1.00 5.10 C ATOM 1382 NE ARG A 87 -23.948 14.530 9.769 1.00 44.24 N ATOM 1383 CZ ARG A 87 -25.054 15.055 9.254 1.00 41.13 C ATOM 1384 NH1 ARG A 87 -24.974 15.981 8.308 1.00 15.33 N ATOM 1385 NH2 ARG A 87 -26.243 14.653 9.684 1.00 50.01 N ATOM 0 H ARG A 87 -21.238 17.611 12.888 1.00 32.21 H new ATOM 0 HA ARG A 87 -19.394 16.157 11.347 1.00 72.22 H new ATOM 0 HB2 ARG A 87 -21.281 15.099 12.441 1.00 0.52 H new ATOM 0 HB3 ARG A 87 -22.424 16.104 11.573 1.00 0.52 H new ATOM 0 HG2 ARG A 87 -20.585 14.434 9.912 1.00 52.04 H new ATOM 0 HG3 ARG A 87 -21.805 13.580 10.835 1.00 52.04 H new ATOM 0 HD2 ARG A 87 -22.571 15.990 9.174 1.00 5.10 H new ATOM 0 HD3 ARG A 87 -22.361 14.428 8.408 1.00 5.10 H new ATOM 0 HE ARG A 87 -24.044 13.819 10.494 1.00 44.24 H new ATOM 0 HH11 ARG A 87 -24.062 16.292 7.974 1.00 15.33 H new ATOM 0 HH12 ARG A 87 -25.825 16.383 7.914 1.00 15.33 H new ATOM 0 HH21 ARG A 87 -26.308 13.940 10.411 1.00 50.01 H new ATOM 0 HH22 ARG A 87 -27.092 15.057 9.288 1.00 50.01 H new ATOM 1399 N GLU A 88 -21.439 18.115 9.651 1.00 22.30 N ATOM 1400 CA GLU A 88 -21.659 18.732 8.349 1.00 45.35 C ATOM 1401 C GLU A 88 -20.395 19.434 7.859 1.00 62.42 C ATOM 1402 O GLU A 88 -20.195 19.612 6.657 1.00 75.41 O ATOM 1403 CB GLU A 88 -22.814 19.733 8.422 1.00 31.41 C ATOM 1404 CG GLU A 88 -23.044 20.493 7.127 1.00 1.41 C ATOM 1405 CD GLU A 88 -24.275 21.377 7.180 1.00 3.54 C ATOM 1406 OE1 GLU A 88 -24.495 22.027 8.224 1.00 43.02 O ATOM 1407 OE2 GLU A 88 -25.018 21.420 6.178 1.00 70.54 O ATOM 0 H GLU A 88 -22.067 18.442 10.385 1.00 22.30 H new ATOM 0 HA GLU A 88 -21.915 17.944 7.641 1.00 45.35 H new ATOM 0 HB2 GLU A 88 -23.728 19.202 8.689 1.00 31.41 H new ATOM 0 HB3 GLU A 88 -22.615 20.447 9.222 1.00 31.41 H new ATOM 0 HG2 GLU A 88 -22.170 21.107 6.910 1.00 1.41 H new ATOM 0 HG3 GLU A 88 -23.146 19.783 6.307 1.00 1.41 H new ATOM 1414 N LYS A 89 -19.544 19.831 8.799 1.00 64.43 N ATOM 1415 CA LYS A 89 -18.298 20.512 8.465 1.00 34.05 C ATOM 1416 C LYS A 89 -17.487 19.702 7.459 1.00 55.11 C ATOM 1417 O LYS A 89 -16.947 20.250 6.499 1.00 42.21 O ATOM 1418 CB LYS A 89 -17.470 20.751 9.730 1.00 63.03 C ATOM 1419 CG LYS A 89 -16.603 21.996 9.662 1.00 0.54 C ATOM 1420 CD LYS A 89 -17.208 23.140 10.459 1.00 41.42 C ATOM 1421 CE LYS A 89 -16.782 24.491 9.905 1.00 1.51 C ATOM 1422 NZ LYS A 89 -15.322 24.728 10.083 1.00 54.45 N ATOM 0 H LYS A 89 -19.694 19.693 9.798 1.00 64.43 H new ATOM 0 HA LYS A 89 -18.547 21.472 8.014 1.00 34.05 H new ATOM 0 HB2 LYS A 89 -18.142 20.832 10.584 1.00 63.03 H new ATOM 0 HB3 LYS A 89 -16.833 19.884 9.907 1.00 63.03 H new ATOM 0 HG2 LYS A 89 -15.608 21.770 10.046 1.00 0.54 H new ATOM 0 HG3 LYS A 89 -16.482 22.300 8.622 1.00 0.54 H new ATOM 0 HD2 LYS A 89 -18.295 23.064 10.439 1.00 41.42 H new ATOM 0 HD3 LYS A 89 -16.902 23.060 11.502 1.00 41.42 H new ATOM 0 HE2 LYS A 89 -17.032 24.544 8.845 1.00 1.51 H new ATOM 0 HE3 LYS A 89 -17.342 25.281 10.405 1.00 1.51 H new ATOM 0 HZ1 LYS A 89 -15.071 25.659 9.693 1.00 54.45 H new ATOM 0 HZ2 LYS A 89 -15.087 24.702 11.096 1.00 54.45 H new ATOM 0 HZ3 LYS A 89 -14.787 23.988 9.585 1.00 54.45 H new ATOM 1436 N ALA A 90 -17.408 18.395 7.685 1.00 75.25 N ATOM 1437 CA ALA A 90 -16.667 17.510 6.795 1.00 22.53 C ATOM 1438 C ALA A 90 -17.097 17.702 5.345 1.00 30.10 C ATOM 1439 O ALA A 90 -16.289 18.068 4.492 1.00 10.34 O ATOM 1440 CB ALA A 90 -16.856 16.060 7.216 1.00 62.40 C ATOM 0 H ALA A 90 -17.848 17.926 8.477 1.00 75.25 H new ATOM 0 HA ALA A 90 -15.610 17.764 6.869 1.00 22.53 H new ATOM 0 HB1 ALA A 90 -16.297 15.410 6.543 1.00 62.40 H new ATOM 0 HB2 ALA A 90 -16.492 15.926 8.235 1.00 62.40 H new ATOM 0 HB3 ALA A 90 -17.914 15.804 7.172 1.00 62.40 H new ATOM 1446 N GLU A 91 -18.374 17.452 5.073 1.00 30.32 N ATOM 1447 CA GLU A 91 -18.910 17.596 3.725 1.00 42.53 C ATOM 1448 C GLU A 91 -18.730 19.025 3.218 1.00 20.32 C ATOM 1449 O GLU A 91 -18.739 19.273 2.012 1.00 21.13 O ATOM 1450 CB GLU A 91 -20.392 17.217 3.697 1.00 22.24 C ATOM 1451 CG GLU A 91 -20.636 15.717 3.709 1.00 53.22 C ATOM 1452 CD GLU A 91 -20.545 15.101 2.326 1.00 20.34 C ATOM 1453 OE1 GLU A 91 -19.900 15.708 1.447 1.00 41.13 O ATOM 1454 OE2 GLU A 91 -21.119 14.010 2.125 1.00 70.11 O ATOM 0 H GLU A 91 -19.056 17.149 5.768 1.00 30.32 H new ATOM 0 HA GLU A 91 -18.358 16.923 3.069 1.00 42.53 H new ATOM 0 HB2 GLU A 91 -20.889 17.665 4.557 1.00 22.24 H new ATOM 0 HB3 GLU A 91 -20.851 17.644 2.806 1.00 22.24 H new ATOM 0 HG2 GLU A 91 -19.908 15.239 4.364 1.00 53.22 H new ATOM 0 HG3 GLU A 91 -21.622 15.516 4.128 1.00 53.22 H new ATOM 1461 N TYR A 92 -18.568 19.959 4.148 1.00 44.52 N ATOM 1462 CA TYR A 92 -18.389 21.363 3.797 1.00 42.41 C ATOM 1463 C TYR A 92 -16.957 21.634 3.345 1.00 70.22 C ATOM 1464 O TYR A 92 -16.712 22.503 2.509 1.00 60.12 O ATOM 1465 CB TYR A 92 -18.736 22.257 4.989 1.00 75.13 C ATOM 1466 CG TYR A 92 -18.905 23.715 4.624 1.00 71.52 C ATOM 1467 CD1 TYR A 92 -20.097 24.183 4.085 1.00 61.11 C ATOM 1468 CD2 TYR A 92 -17.872 24.624 4.819 1.00 35.41 C ATOM 1469 CE1 TYR A 92 -20.255 25.514 3.749 1.00 22.44 C ATOM 1470 CE2 TYR A 92 -18.022 25.956 4.488 1.00 50.51 C ATOM 1471 CZ TYR A 92 -19.215 26.396 3.953 1.00 42.51 C ATOM 1472 OH TYR A 92 -19.369 27.723 3.621 1.00 3.14 O ATOM 0 H TYR A 92 -18.557 19.770 5.150 1.00 44.52 H new ATOM 0 HA TYR A 92 -19.062 21.592 2.971 1.00 42.41 H new ATOM 0 HB2 TYR A 92 -19.657 21.897 5.447 1.00 75.13 H new ATOM 0 HB3 TYR A 92 -17.951 22.168 5.740 1.00 75.13 H new ATOM 0 HD1 TYR A 92 -20.914 23.495 3.926 1.00 61.11 H new ATOM 0 HD2 TYR A 92 -16.936 24.283 5.236 1.00 35.41 H new ATOM 0 HE1 TYR A 92 -21.187 25.861 3.329 1.00 22.44 H new ATOM 0 HE2 TYR A 92 -17.210 26.650 4.647 1.00 50.51 H new ATOM 0 HH TYR A 92 -18.544 28.210 3.828 1.00 3.14 H new ATOM 1482 N ALA A 93 -16.015 20.882 3.904 1.00 61.51 N ATOM 1483 CA ALA A 93 -14.608 21.037 3.557 1.00 24.15 C ATOM 1484 C ALA A 93 -14.262 20.251 2.297 1.00 35.43 C ATOM 1485 O ALA A 93 -13.244 20.506 1.656 1.00 63.21 O ATOM 1486 CB ALA A 93 -13.727 20.594 4.716 1.00 23.22 C ATOM 0 H ALA A 93 -16.201 20.159 4.599 1.00 61.51 H new ATOM 0 HA ALA A 93 -14.424 22.092 3.357 1.00 24.15 H new ATOM 0 HB1 ALA A 93 -12.679 20.715 4.443 1.00 23.22 H new ATOM 0 HB2 ALA A 93 -13.946 21.203 5.593 1.00 23.22 H new ATOM 0 HB3 ALA A 93 -13.924 19.546 4.943 1.00 23.22 H new ATOM 1492 N GLN A 94 -15.117 19.294 1.950 1.00 72.04 N ATOM 1493 CA GLN A 94 -14.901 18.470 0.766 1.00 25.24 C ATOM 1494 C GLN A 94 -15.283 19.226 -0.501 1.00 45.55 C ATOM 1495 O GLN A 94 -14.735 18.975 -1.575 1.00 20.30 O ATOM 1496 CB GLN A 94 -15.710 17.175 0.865 1.00 4.44 C ATOM 1497 CG GLN A 94 -15.499 16.424 2.170 1.00 4.41 C ATOM 1498 CD GLN A 94 -15.244 14.945 1.957 1.00 11.14 C ATOM 1499 OE1 GLN A 94 -14.319 14.559 1.242 1.00 0.22 O ATOM 1500 NE2 GLN A 94 -16.066 14.107 2.579 1.00 4.41 N ATOM 0 H GLN A 94 -15.965 19.070 2.471 1.00 72.04 H new ATOM 0 HA GLN A 94 -13.840 18.225 0.714 1.00 25.24 H new ATOM 0 HB2 GLN A 94 -16.769 17.409 0.757 1.00 4.44 H new ATOM 0 HB3 GLN A 94 -15.441 16.524 0.033 1.00 4.44 H new ATOM 0 HG2 GLN A 94 -14.655 16.861 2.704 1.00 4.41 H new ATOM 0 HG3 GLN A 94 -16.377 16.550 2.803 1.00 4.41 H new ATOM 0 HE21 GLN A 94 -16.820 14.471 3.162 1.00 4.41 H new ATOM 0 HE22 GLN A 94 -15.943 13.100 2.473 1.00 4.41 H new ATOM 1509 N ARG A 95 -16.225 20.154 -0.370 1.00 33.12 N ATOM 1510 CA ARG A 95 -16.682 20.946 -1.505 1.00 44.14 C ATOM 1511 C ARG A 95 -15.739 22.117 -1.765 1.00 43.41 C ATOM 1512 O ARG A 95 -15.635 22.608 -2.890 1.00 20.33 O ATOM 1513 CB ARG A 95 -18.099 21.464 -1.256 1.00 52.33 C ATOM 1514 CG ARG A 95 -18.879 21.743 -2.531 1.00 45.21 C ATOM 1515 CD ARG A 95 -18.634 23.157 -3.036 1.00 20.25 C ATOM 1516 NE ARG A 95 -19.838 23.748 -3.613 1.00 32.03 N ATOM 1517 CZ ARG A 95 -20.323 23.414 -4.804 1.00 4.14 C ATOM 1518 NH1 ARG A 95 -19.709 22.498 -5.540 1.00 23.25 N ATOM 1519 NH2 ARG A 95 -21.424 23.997 -5.261 1.00 23.35 N ATOM 0 H ARG A 95 -16.687 20.376 0.512 1.00 33.12 H new ATOM 0 HA ARG A 95 -16.688 20.303 -2.385 1.00 44.14 H new ATOM 0 HB2 ARG A 95 -18.644 20.733 -0.659 1.00 52.33 H new ATOM 0 HB3 ARG A 95 -18.044 22.379 -0.666 1.00 52.33 H new ATOM 0 HG2 ARG A 95 -18.591 21.026 -3.300 1.00 45.21 H new ATOM 0 HG3 ARG A 95 -19.944 21.601 -2.346 1.00 45.21 H new ATOM 0 HD2 ARG A 95 -18.283 23.780 -2.213 1.00 20.25 H new ATOM 0 HD3 ARG A 95 -17.842 23.142 -3.785 1.00 20.25 H new ATOM 0 HE ARG A 95 -20.334 24.456 -3.072 1.00 32.03 H new ATOM 0 HH11 ARG A 95 -18.862 22.048 -5.192 1.00 23.25 H new ATOM 0 HH12 ARG A 95 -20.083 22.243 -6.454 1.00 23.25 H new ATOM 0 HH21 ARG A 95 -21.899 24.702 -4.698 1.00 23.35 H new ATOM 0 HH22 ARG A 95 -21.795 23.740 -6.176 1.00 23.35 H new ATOM 1533 N LYS A 96 -15.053 22.562 -0.717 1.00 72.13 N ATOM 1534 CA LYS A 96 -14.118 23.675 -0.830 1.00 71.14 C ATOM 1535 C LYS A 96 -12.689 23.170 -1.001 1.00 70.42 C ATOM 1536 O LYS A 96 -11.740 23.954 -1.013 1.00 21.41 O ATOM 1537 CB LYS A 96 -14.209 24.572 0.406 1.00 21.12 C ATOM 1538 CG LYS A 96 -15.258 25.664 0.290 1.00 43.24 C ATOM 1539 CD LYS A 96 -16.664 25.090 0.297 1.00 74.34 C ATOM 1540 CE LYS A 96 -17.675 26.097 0.822 1.00 13.23 C ATOM 1541 NZ LYS A 96 -19.071 25.723 0.461 1.00 43.22 N ATOM 0 H LYS A 96 -15.127 22.168 0.221 1.00 72.13 H new ATOM 0 HA LYS A 96 -14.388 24.255 -1.713 1.00 71.14 H new ATOM 0 HB2 LYS A 96 -14.434 23.955 1.276 1.00 21.12 H new ATOM 0 HB3 LYS A 96 -13.237 25.031 0.583 1.00 21.12 H new ATOM 0 HG2 LYS A 96 -15.147 26.366 1.116 1.00 43.24 H new ATOM 0 HG3 LYS A 96 -15.098 26.227 -0.630 1.00 43.24 H new ATOM 0 HD2 LYS A 96 -16.940 24.789 -0.714 1.00 74.34 H new ATOM 0 HD3 LYS A 96 -16.689 24.192 0.915 1.00 74.34 H new ATOM 0 HE2 LYS A 96 -17.587 26.168 1.906 1.00 13.23 H new ATOM 0 HE3 LYS A 96 -17.448 27.084 0.418 1.00 13.23 H new ATOM 0 HZ1 LYS A 96 -19.495 26.479 -0.114 1.00 43.22 H new ATOM 0 HZ2 LYS A 96 -19.063 24.837 -0.083 1.00 43.22 H new ATOM 0 HZ3 LYS A 96 -19.630 25.592 1.328 1.00 43.22 H new ATOM 1555 N VAL A 97 -12.543 21.855 -1.135 1.00 2.13 N ATOM 1556 CA VAL A 97 -11.230 21.246 -1.308 1.00 23.44 C ATOM 1557 C VAL A 97 -10.521 21.806 -2.536 1.00 11.14 C ATOM 1558 O VAL A 97 -9.301 21.968 -2.541 1.00 61.42 O ATOM 1559 CB VAL A 97 -11.335 19.715 -1.443 1.00 62.01 C ATOM 1560 CG1 VAL A 97 -12.092 19.342 -2.708 1.00 60.53 C ATOM 1561 CG2 VAL A 97 -9.951 19.083 -1.434 1.00 41.40 C ATOM 0 H VAL A 97 -13.318 21.192 -1.127 1.00 2.13 H new ATOM 0 HA VAL A 97 -10.650 21.486 -0.417 1.00 23.44 H new ATOM 0 HB VAL A 97 -11.891 19.329 -0.588 1.00 62.01 H new ATOM 0 HG11 VAL A 97 -12.156 18.257 -2.787 1.00 60.53 H new ATOM 0 HG12 VAL A 97 -13.097 19.763 -2.668 1.00 60.53 H new ATOM 0 HG13 VAL A 97 -11.566 19.738 -3.577 1.00 60.53 H new ATOM 0 HG21 VAL A 97 -10.044 18.001 -1.530 1.00 41.40 H new ATOM 0 HG22 VAL A 97 -9.368 19.473 -2.268 1.00 41.40 H new ATOM 0 HG23 VAL A 97 -9.448 19.322 -0.497 1.00 41.40 H new TER 1571 VAL A 97