USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 MET CE :methyl -158:sc= -3.6! (180deg=-5.49!) USER MOD Set 1.2: A 35 SER OG : rot 120:sc= 0.681 USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -157:sc= 1.23 (180deg=1.1) USER MOD Set 3.1: A 6 CYS SG : rot -148:sc= 1.96 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 2 THR OG1 : rot 34:sc= 0.0164 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.428 K(o=0.43,f=-1.2) USER MOD Single : A 17 SER OG : rot 180:sc= -0.193 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0961) USER MOD Single : A 24 THR OG1 : rot 170:sc= 0.584 USER MOD Single : A 26 TYR OH : rot -155:sc= 1.26 USER MOD Single : A 27 GLN : amide:sc= -0.875 X(o=-0.88,f=-1) USER MOD Single : A 32 THR OG1 : rot -85:sc= 0.96 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -96:sc= 0.367 (180deg=-1.14!) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.0202 (180deg=-0.211) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0243 (180deg=-0.377) USER MOD Single : A 49 GLN : amide:sc= 0.282 K(o=0.28,f=-4.4!) USER MOD Single : A 55 SER OG : rot 133:sc= 0.181 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= -0.0262 (180deg=-0.228) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -0.0394 (180deg=-0.333) USER MOD Single : A 62 SER OG : rot 74:sc= 1.15 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0353 (180deg=-0.27) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.02 X(o=-1,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.219 -2.002 -22.562 1.00 1.14 N ATOM 39 CA THR A 2 -6.140 -1.076 -21.499 1.00 2.11 C ATOM 40 C THR A 2 -6.976 -1.638 -20.358 1.00 63.11 C ATOM 41 O THR A 2 -8.186 -1.799 -20.490 1.00 21.40 O ATOM 42 CB THR A 2 -6.686 0.291 -21.954 1.00 64.23 C ATOM 43 OG1 THR A 2 -5.950 0.703 -23.127 1.00 62.14 O ATOM 44 CG2 THR A 2 -6.522 1.337 -20.858 1.00 22.41 C ATOM 0 HA THR A 2 -5.109 -0.928 -21.178 1.00 2.11 H new ATOM 0 HB THR A 2 -7.749 0.199 -22.176 1.00 64.23 H new ATOM 0 HG1 THR A 2 -5.715 -0.086 -23.659 1.00 62.14 H new ATOM 0 HG21 THR A 2 -6.915 2.292 -21.205 1.00 22.41 H new ATOM 0 HG22 THR A 2 -7.068 1.021 -19.969 1.00 22.41 H new ATOM 0 HG23 THR A 2 -5.465 1.447 -20.615 1.00 22.41 H new ATOM 52 N VAL A 3 -6.337 -1.948 -19.265 1.00 15.34 N ATOM 53 CA VAL A 3 -7.020 -2.556 -18.157 1.00 31.11 C ATOM 54 C VAL A 3 -7.168 -1.535 -17.056 1.00 33.31 C ATOM 55 O VAL A 3 -6.225 -0.787 -16.767 1.00 53.51 O ATOM 56 CB VAL A 3 -6.242 -3.772 -17.580 1.00 23.04 C ATOM 57 CG1 VAL A 3 -7.089 -4.533 -16.612 1.00 74.35 C ATOM 58 CG2 VAL A 3 -5.718 -4.705 -18.639 1.00 3.15 C ATOM 0 H VAL A 3 -5.340 -1.789 -19.117 1.00 15.34 H new ATOM 0 HA VAL A 3 -7.986 -2.906 -18.520 1.00 31.11 H new ATOM 0 HB VAL A 3 -5.376 -3.355 -17.066 1.00 23.04 H new ATOM 0 HG11 VAL A 3 -6.524 -5.379 -16.221 1.00 74.35 H new ATOM 0 HG12 VAL A 3 -7.379 -3.879 -15.789 1.00 74.35 H new ATOM 0 HG13 VAL A 3 -7.983 -4.897 -17.118 1.00 74.35 H new ATOM 0 HG21 VAL A 3 -5.186 -5.530 -18.166 1.00 3.15 H new ATOM 0 HG22 VAL A 3 -6.551 -5.097 -19.223 1.00 3.15 H new ATOM 0 HG23 VAL A 3 -5.037 -4.164 -19.296 1.00 3.15 H new ATOM 68 N TYR A 4 -8.334 -1.475 -16.472 1.00 53.42 N ATOM 69 CA TYR A 4 -8.583 -0.575 -15.390 1.00 62.21 C ATOM 70 C TYR A 4 -8.556 -1.317 -14.053 1.00 74.34 C ATOM 71 O TYR A 4 -9.197 -2.365 -13.892 1.00 1.31 O ATOM 72 CB TYR A 4 -9.901 0.144 -15.622 1.00 24.31 C ATOM 73 CG TYR A 4 -9.900 0.937 -16.916 1.00 55.05 C ATOM 74 CD1 TYR A 4 -9.412 2.228 -16.951 1.00 41.50 C ATOM 75 CD2 TYR A 4 -10.366 0.384 -18.101 1.00 71.43 C ATOM 76 CE1 TYR A 4 -9.392 2.955 -18.116 1.00 30.31 C ATOM 77 CE2 TYR A 4 -10.345 1.101 -19.276 1.00 24.34 C ATOM 78 CZ TYR A 4 -9.856 2.392 -19.276 1.00 61.10 C ATOM 79 OH TYR A 4 -9.828 3.118 -20.442 1.00 12.31 O ATOM 0 H TYR A 4 -9.134 -2.050 -16.736 1.00 53.42 H new ATOM 0 HA TYR A 4 -7.793 0.175 -15.348 1.00 62.21 H new ATOM 0 HB2 TYR A 4 -10.711 -0.584 -15.645 1.00 24.31 H new ATOM 0 HB3 TYR A 4 -10.099 0.815 -14.786 1.00 24.31 H new ATOM 0 HD1 TYR A 4 -9.038 2.676 -16.042 1.00 41.50 H new ATOM 0 HD2 TYR A 4 -10.751 -0.625 -18.101 1.00 71.43 H new ATOM 0 HE1 TYR A 4 -9.012 3.966 -18.118 1.00 30.31 H new ATOM 0 HE2 TYR A 4 -10.708 0.657 -20.191 1.00 24.34 H new ATOM 0 HH TYR A 4 -10.191 2.576 -21.174 1.00 12.31 H new ATOM 89 N ILE A 5 -7.787 -0.793 -13.118 1.00 31.43 N ATOM 90 CA ILE A 5 -7.615 -1.405 -11.806 1.00 0.34 C ATOM 91 C ILE A 5 -8.165 -0.477 -10.732 1.00 71.14 C ATOM 92 O ILE A 5 -7.706 0.643 -10.591 1.00 12.32 O ATOM 93 CB ILE A 5 -6.099 -1.609 -11.403 1.00 73.41 C ATOM 94 CG1 ILE A 5 -5.235 -2.447 -12.367 1.00 1.13 C ATOM 95 CG2 ILE A 5 -5.998 -2.226 -10.011 1.00 52.35 C ATOM 96 CD1 ILE A 5 -5.075 -1.935 -13.789 1.00 52.42 C ATOM 0 H ILE A 5 -7.261 0.072 -13.243 1.00 31.43 H new ATOM 0 HA ILE A 5 -8.126 -2.366 -11.870 1.00 0.34 H new ATOM 0 HB ILE A 5 -5.690 -0.600 -11.443 1.00 73.41 H new ATOM 0 HG12 ILE A 5 -4.241 -2.544 -11.930 1.00 1.13 H new ATOM 0 HG13 ILE A 5 -5.661 -3.449 -12.416 1.00 1.13 H new ATOM 0 HG21 ILE A 5 -4.949 -2.360 -9.748 1.00 52.35 H new ATOM 0 HG22 ILE A 5 -6.473 -1.566 -9.285 1.00 52.35 H new ATOM 0 HG23 ILE A 5 -6.500 -3.193 -10.004 1.00 52.35 H new ATOM 0 HD11 ILE A 5 -4.444 -2.621 -14.354 1.00 52.42 H new ATOM 0 HD12 ILE A 5 -6.054 -1.868 -14.264 1.00 52.42 H new ATOM 0 HD13 ILE A 5 -4.612 -0.948 -13.771 1.00 52.42 H new ATOM 108 N CYS A 6 -9.134 -0.907 -10.020 1.00 23.05 N ATOM 109 CA CYS A 6 -9.540 -0.211 -8.849 1.00 71.01 C ATOM 110 C CYS A 6 -9.559 -1.201 -7.708 1.00 33.53 C ATOM 111 O CYS A 6 -10.494 -1.996 -7.600 1.00 32.33 O ATOM 112 CB CYS A 6 -10.883 0.486 -8.997 1.00 5.44 C ATOM 113 SG CYS A 6 -11.344 1.476 -7.558 1.00 65.41 S ATOM 0 H CYS A 6 -9.672 -1.749 -10.226 1.00 23.05 H new ATOM 0 HA CYS A 6 -8.827 0.591 -8.655 1.00 71.01 H new ATOM 0 HB2 CYS A 6 -10.855 1.129 -9.877 1.00 5.44 H new ATOM 0 HB3 CYS A 6 -11.654 -0.263 -9.175 1.00 5.44 H new ATOM 0 HG CYS A 6 -12.637 1.476 -7.428 1.00 65.41 H new ATOM 119 N PRO A 7 -8.525 -1.212 -6.854 1.00 13.10 N ATOM 120 CA PRO A 7 -8.440 -2.162 -5.731 1.00 63.24 C ATOM 121 C PRO A 7 -9.548 -1.948 -4.703 1.00 62.13 C ATOM 122 O PRO A 7 -9.828 -2.820 -3.880 1.00 61.22 O ATOM 123 CB PRO A 7 -7.065 -1.860 -5.102 1.00 0.34 C ATOM 124 CG PRO A 7 -6.722 -0.481 -5.555 1.00 42.21 C ATOM 125 CD PRO A 7 -7.343 -0.314 -6.910 1.00 64.23 C ATOM 0 HA PRO A 7 -8.554 -3.193 -6.066 1.00 63.24 H new ATOM 0 HB2 PRO A 7 -7.108 -1.918 -4.014 1.00 0.34 H new ATOM 0 HB3 PRO A 7 -6.315 -2.580 -5.430 1.00 0.34 H new ATOM 0 HG2 PRO A 7 -7.106 0.264 -4.858 1.00 42.21 H new ATOM 0 HG3 PRO A 7 -5.642 -0.346 -5.604 1.00 42.21 H new ATOM 0 HD2 PRO A 7 -7.632 0.721 -7.096 1.00 64.23 H new ATOM 0 HD3 PRO A 7 -6.656 -0.601 -7.706 1.00 64.23 H new ATOM 133 N GLU A 8 -10.186 -0.808 -4.785 1.00 14.22 N ATOM 134 CA GLU A 8 -11.176 -0.408 -3.824 1.00 33.22 C ATOM 135 C GLU A 8 -12.560 -0.844 -4.240 1.00 51.23 C ATOM 136 O GLU A 8 -13.184 -1.667 -3.591 1.00 52.00 O ATOM 137 CB GLU A 8 -11.154 1.104 -3.696 1.00 35.05 C ATOM 138 CG GLU A 8 -9.771 1.630 -3.510 1.00 63.13 C ATOM 139 CD GLU A 8 -9.711 3.115 -3.349 1.00 54.42 C ATOM 140 OE1 GLU A 8 -9.594 3.827 -4.358 1.00 65.22 O ATOM 141 OE2 GLU A 8 -9.748 3.600 -2.205 1.00 51.55 O ATOM 0 H GLU A 8 -10.030 -0.127 -5.528 1.00 14.22 H new ATOM 0 HA GLU A 8 -10.940 -0.883 -2.872 1.00 33.22 H new ATOM 0 HB2 GLU A 8 -11.594 1.550 -4.588 1.00 35.05 H new ATOM 0 HB3 GLU A 8 -11.773 1.405 -2.851 1.00 35.05 H new ATOM 0 HG2 GLU A 8 -9.328 1.160 -2.632 1.00 63.13 H new ATOM 0 HG3 GLU A 8 -9.163 1.341 -4.368 1.00 63.13 H new ATOM 148 N THR A 9 -13.029 -0.305 -5.332 1.00 44.31 N ATOM 149 CA THR A 9 -14.389 -0.514 -5.738 1.00 31.11 C ATOM 150 C THR A 9 -14.530 -1.613 -6.793 1.00 14.13 C ATOM 151 O THR A 9 -15.652 -2.021 -7.126 1.00 70.52 O ATOM 152 CB THR A 9 -14.992 0.814 -6.241 1.00 62.05 C ATOM 153 OG1 THR A 9 -14.225 1.294 -7.353 1.00 53.10 O ATOM 154 CG2 THR A 9 -14.928 1.858 -5.129 1.00 72.11 C ATOM 0 H THR A 9 -12.484 0.286 -5.960 1.00 44.31 H new ATOM 0 HA THR A 9 -14.943 -0.858 -4.865 1.00 31.11 H new ATOM 0 HB THR A 9 -16.027 0.645 -6.539 1.00 62.05 H new ATOM 0 HG1 THR A 9 -14.607 2.137 -7.674 1.00 53.10 H new ATOM 0 HG21 THR A 9 -15.354 2.796 -5.485 1.00 72.11 H new ATOM 0 HG22 THR A 9 -15.495 1.506 -4.267 1.00 72.11 H new ATOM 0 HG23 THR A 9 -13.889 2.018 -4.840 1.00 72.11 H new ATOM 162 N GLY A 10 -13.416 -2.103 -7.309 1.00 25.15 N ATOM 163 CA GLY A 10 -13.502 -3.141 -8.322 1.00 51.21 C ATOM 164 C GLY A 10 -13.272 -4.516 -7.746 1.00 43.12 C ATOM 165 O GLY A 10 -13.393 -4.715 -6.535 1.00 10.32 O ATOM 0 H GLY A 10 -12.472 -1.812 -7.055 1.00 25.15 H new ATOM 0 HA2 GLY A 10 -14.484 -3.106 -8.794 1.00 51.21 H new ATOM 0 HA3 GLY A 10 -12.766 -2.947 -9.102 1.00 51.21 H new ATOM 169 N ASP A 11 -12.923 -5.456 -8.602 1.00 1.52 N ATOM 170 CA ASP A 11 -12.744 -6.850 -8.218 1.00 73.32 C ATOM 171 C ASP A 11 -11.902 -7.586 -9.253 1.00 15.02 C ATOM 172 O ASP A 11 -11.972 -7.294 -10.437 1.00 51.25 O ATOM 173 CB ASP A 11 -14.094 -7.553 -8.049 1.00 73.12 C ATOM 174 CG ASP A 11 -13.920 -8.994 -7.660 1.00 4.43 C ATOM 175 OD1 ASP A 11 -13.532 -9.258 -6.518 1.00 71.05 O ATOM 176 OD2 ASP A 11 -14.114 -9.869 -8.509 1.00 35.00 O ATOM 0 H ASP A 11 -12.753 -5.277 -9.592 1.00 1.52 H new ATOM 0 HA ASP A 11 -12.224 -6.867 -7.260 1.00 73.32 H new ATOM 0 HB2 ASP A 11 -14.681 -7.038 -7.288 1.00 73.12 H new ATOM 0 HB3 ASP A 11 -14.656 -7.492 -8.981 1.00 73.12 H new ATOM 181 N ASP A 12 -11.086 -8.526 -8.797 1.00 0.44 N ATOM 182 CA ASP A 12 -10.182 -9.301 -9.679 1.00 20.23 C ATOM 183 C ASP A 12 -10.917 -10.328 -10.558 1.00 31.30 C ATOM 184 O ASP A 12 -10.322 -10.915 -11.457 1.00 41.52 O ATOM 185 CB ASP A 12 -9.070 -9.998 -8.873 1.00 71.55 C ATOM 186 CG ASP A 12 -9.595 -11.001 -7.867 1.00 0.42 C ATOM 187 OD1 ASP A 12 -10.026 -10.578 -6.773 1.00 41.44 O ATOM 188 OD2 ASP A 12 -9.573 -12.216 -8.151 1.00 43.25 O ATOM 0 H ASP A 12 -11.021 -8.783 -7.812 1.00 0.44 H new ATOM 0 HA ASP A 12 -9.733 -8.569 -10.350 1.00 20.23 H new ATOM 0 HB2 ASP A 12 -8.395 -10.505 -9.562 1.00 71.55 H new ATOM 0 HB3 ASP A 12 -8.483 -9.243 -8.350 1.00 71.55 H new ATOM 193 N GLY A 13 -12.194 -10.532 -10.313 1.00 61.53 N ATOM 194 CA GLY A 13 -12.963 -11.461 -11.123 1.00 25.14 C ATOM 195 C GLY A 13 -13.628 -10.767 -12.297 1.00 24.41 C ATOM 196 O GLY A 13 -14.400 -11.371 -13.037 1.00 21.30 O ATOM 0 H GLY A 13 -12.720 -10.074 -9.568 1.00 61.53 H new ATOM 0 HA2 GLY A 13 -12.308 -12.251 -11.491 1.00 25.14 H new ATOM 0 HA3 GLY A 13 -13.723 -11.939 -10.505 1.00 25.14 H new ATOM 200 N ASN A 14 -13.324 -9.496 -12.459 1.00 2.13 N ATOM 201 CA ASN A 14 -13.894 -8.687 -13.526 1.00 31.52 C ATOM 202 C ASN A 14 -13.066 -8.797 -14.790 1.00 70.24 C ATOM 203 O ASN A 14 -12.049 -9.479 -14.817 1.00 62.21 O ATOM 204 CB ASN A 14 -13.987 -7.216 -13.104 1.00 75.55 C ATOM 205 CG ASN A 14 -14.955 -6.967 -11.969 1.00 31.44 C ATOM 206 OD1 ASN A 14 -15.936 -7.684 -11.800 1.00 53.42 O ATOM 207 ND2 ASN A 14 -14.700 -5.949 -11.195 1.00 10.24 N ATOM 0 H ASN A 14 -12.675 -8.991 -11.856 1.00 2.13 H new ATOM 0 HA ASN A 14 -14.897 -9.065 -13.725 1.00 31.52 H new ATOM 0 HB2 ASN A 14 -12.997 -6.869 -12.808 1.00 75.55 H new ATOM 0 HB3 ASN A 14 -14.289 -6.619 -13.965 1.00 75.55 H new ATOM 0 HD21 ASN A 14 -15.326 -5.728 -10.420 1.00 10.24 H new ATOM 0 HD22 ASN A 14 -13.875 -5.374 -11.364 1.00 10.24 H new ATOM 214 N ASP A 15 -13.494 -8.115 -15.835 1.00 51.33 N ATOM 215 CA ASP A 15 -12.774 -8.130 -17.116 1.00 41.12 C ATOM 216 C ASP A 15 -11.774 -7.005 -17.163 1.00 75.13 C ATOM 217 O ASP A 15 -10.975 -6.901 -18.098 1.00 71.32 O ATOM 218 CB ASP A 15 -13.734 -7.962 -18.292 1.00 21.40 C ATOM 219 CG ASP A 15 -14.798 -9.008 -18.342 1.00 53.34 C ATOM 220 OD1 ASP A 15 -14.508 -10.145 -18.772 1.00 73.40 O ATOM 221 OD2 ASP A 15 -15.941 -8.703 -17.962 1.00 42.13 O ATOM 0 H ASP A 15 -14.336 -7.540 -15.833 1.00 51.33 H new ATOM 0 HA ASP A 15 -12.269 -9.093 -17.194 1.00 41.12 H new ATOM 0 HB2 ASP A 15 -14.203 -6.980 -18.231 1.00 21.40 H new ATOM 0 HB3 ASP A 15 -13.166 -7.987 -19.222 1.00 21.40 H new ATOM 226 N GLY A 16 -11.819 -6.165 -16.153 1.00 4.23 N ATOM 227 CA GLY A 16 -10.955 -5.022 -16.104 1.00 65.51 C ATOM 228 C GLY A 16 -11.422 -3.916 -16.999 1.00 10.14 C ATOM 229 O GLY A 16 -10.618 -3.126 -17.511 1.00 15.51 O ATOM 0 H GLY A 16 -12.449 -6.258 -15.356 1.00 4.23 H new ATOM 0 HA2 GLY A 16 -10.898 -4.657 -15.079 1.00 65.51 H new ATOM 0 HA3 GLY A 16 -9.947 -5.319 -16.393 1.00 65.51 H new ATOM 233 N SER A 17 -12.714 -3.863 -17.191 1.00 75.32 N ATOM 234 CA SER A 17 -13.347 -2.860 -17.983 1.00 45.50 C ATOM 235 C SER A 17 -13.374 -1.568 -17.151 1.00 22.12 C ATOM 236 O SER A 17 -13.114 -1.618 -15.955 1.00 72.30 O ATOM 237 CB SER A 17 -14.760 -3.344 -18.278 1.00 61.12 C ATOM 238 OG SER A 17 -14.732 -4.678 -18.791 1.00 32.00 O ATOM 0 H SER A 17 -13.365 -4.537 -16.788 1.00 75.32 H new ATOM 0 HA SER A 17 -12.825 -2.672 -18.922 1.00 45.50 H new ATOM 0 HB2 SER A 17 -15.360 -3.310 -17.369 1.00 61.12 H new ATOM 0 HB3 SER A 17 -15.236 -2.680 -19.000 1.00 61.12 H new ATOM 0 HG SER A 17 -15.647 -4.977 -18.975 1.00 32.00 H new ATOM 244 N GLU A 18 -13.685 -0.435 -17.748 1.00 15.21 N ATOM 245 CA GLU A 18 -13.683 0.812 -17.004 1.00 12.22 C ATOM 246 C GLU A 18 -14.749 0.783 -15.885 1.00 54.31 C ATOM 247 O GLU A 18 -14.531 1.299 -14.790 1.00 40.24 O ATOM 248 CB GLU A 18 -13.910 1.991 -17.942 1.00 44.45 C ATOM 249 CG GLU A 18 -13.720 3.331 -17.286 1.00 13.20 C ATOM 250 CD GLU A 18 -14.009 4.471 -18.215 1.00 62.32 C ATOM 251 OE1 GLU A 18 -15.168 4.909 -18.268 1.00 73.25 O ATOM 252 OE2 GLU A 18 -13.089 4.946 -18.908 1.00 45.42 O ATOM 0 H GLU A 18 -13.939 -0.350 -18.732 1.00 15.21 H new ATOM 0 HA GLU A 18 -12.707 0.933 -16.534 1.00 12.22 H new ATOM 0 HB2 GLU A 18 -13.225 1.909 -18.786 1.00 44.45 H new ATOM 0 HB3 GLU A 18 -14.921 1.934 -18.345 1.00 44.45 H new ATOM 0 HG2 GLU A 18 -14.372 3.402 -16.416 1.00 13.20 H new ATOM 0 HG3 GLU A 18 -12.695 3.413 -16.924 1.00 13.20 H new ATOM 259 N LEU A 19 -15.890 0.166 -16.172 1.00 72.25 N ATOM 260 CA LEU A 19 -16.948 0.024 -15.198 1.00 24.04 C ATOM 261 C LEU A 19 -16.793 -1.245 -14.355 1.00 52.13 C ATOM 262 O LEU A 19 -17.555 -1.473 -13.411 1.00 24.01 O ATOM 263 CB LEU A 19 -18.319 0.070 -15.869 1.00 3.50 C ATOM 264 CG LEU A 19 -18.803 1.437 -16.397 1.00 24.40 C ATOM 265 CD1 LEU A 19 -18.937 2.453 -15.273 1.00 41.00 C ATOM 266 CD2 LEU A 19 -17.938 1.991 -17.526 1.00 3.44 C ATOM 0 H LEU A 19 -16.100 -0.245 -17.082 1.00 72.25 H new ATOM 0 HA LEU A 19 -16.870 0.871 -14.517 1.00 24.04 H new ATOM 0 HB2 LEU A 19 -18.309 -0.630 -16.704 1.00 3.50 H new ATOM 0 HB3 LEU A 19 -19.057 -0.296 -15.155 1.00 3.50 H new ATOM 0 HG LEU A 19 -19.790 1.256 -16.822 1.00 24.40 H new ATOM 0 HD11 LEU A 19 -19.280 3.404 -15.681 1.00 41.00 H new ATOM 0 HD12 LEU A 19 -19.658 2.092 -14.540 1.00 41.00 H new ATOM 0 HD13 LEU A 19 -17.969 2.593 -14.791 1.00 41.00 H new ATOM 0 HD21 LEU A 19 -18.335 2.953 -17.850 1.00 3.44 H new ATOM 0 HD22 LEU A 19 -16.916 2.121 -17.171 1.00 3.44 H new ATOM 0 HD23 LEU A 19 -17.945 1.295 -18.365 1.00 3.44 H new ATOM 278 N LYS A 20 -15.806 -2.061 -14.689 1.00 64.45 N ATOM 279 CA LYS A 20 -15.508 -3.276 -13.914 1.00 22.20 C ATOM 280 C LYS A 20 -14.029 -3.368 -13.710 1.00 4.43 C ATOM 281 O LYS A 20 -13.365 -4.189 -14.352 1.00 71.21 O ATOM 282 CB LYS A 20 -15.951 -4.571 -14.596 1.00 53.54 C ATOM 283 CG LYS A 20 -17.408 -4.635 -15.017 1.00 32.45 C ATOM 284 CD LYS A 20 -17.753 -6.035 -15.504 1.00 23.32 C ATOM 285 CE LYS A 20 -19.193 -6.140 -15.979 1.00 1.43 C ATOM 286 NZ LYS A 20 -19.440 -5.324 -17.189 1.00 73.44 N ATOM 0 H LYS A 20 -15.192 -1.912 -15.490 1.00 64.45 H new ATOM 0 HA LYS A 20 -16.063 -3.184 -12.980 1.00 22.20 H new ATOM 0 HB2 LYS A 20 -15.331 -4.724 -15.479 1.00 53.54 H new ATOM 0 HB3 LYS A 20 -15.752 -5.402 -13.919 1.00 53.54 H new ATOM 0 HG2 LYS A 20 -18.049 -4.366 -14.177 1.00 32.45 H new ATOM 0 HG3 LYS A 20 -17.598 -3.910 -15.808 1.00 32.45 H new ATOM 0 HD2 LYS A 20 -17.083 -6.310 -16.319 1.00 23.32 H new ATOM 0 HD3 LYS A 20 -17.585 -6.750 -14.698 1.00 23.32 H new ATOM 0 HE2 LYS A 20 -19.430 -7.183 -16.191 1.00 1.43 H new ATOM 0 HE3 LYS A 20 -19.862 -5.817 -15.181 1.00 1.43 H new ATOM 0 HZ1 LYS A 20 -20.378 -5.553 -17.577 1.00 73.44 H new ATOM 0 HZ2 LYS A 20 -19.405 -4.315 -16.940 1.00 73.44 H new ATOM 0 HZ3 LYS A 20 -18.711 -5.530 -17.902 1.00 73.44 H new ATOM 300 N PRO A 21 -13.476 -2.526 -12.872 1.00 30.12 N ATOM 301 CA PRO A 21 -12.064 -2.517 -12.658 1.00 63.21 C ATOM 302 C PRO A 21 -11.618 -3.714 -11.838 1.00 34.42 C ATOM 303 O PRO A 21 -12.396 -4.278 -11.052 1.00 50.52 O ATOM 304 CB PRO A 21 -11.813 -1.207 -11.924 1.00 4.55 C ATOM 305 CG PRO A 21 -13.107 -0.853 -11.273 1.00 34.52 C ATOM 306 CD PRO A 21 -14.187 -1.524 -12.054 1.00 40.21 C ATOM 0 HA PRO A 21 -11.499 -2.587 -13.588 1.00 63.21 H new ATOM 0 HB2 PRO A 21 -11.020 -1.319 -11.184 1.00 4.55 H new ATOM 0 HB3 PRO A 21 -11.496 -0.426 -12.615 1.00 4.55 H new ATOM 0 HG2 PRO A 21 -13.119 -1.184 -10.235 1.00 34.52 H new ATOM 0 HG3 PRO A 21 -13.252 0.227 -11.265 1.00 34.52 H new ATOM 0 HD2 PRO A 21 -14.920 -1.994 -11.398 1.00 40.21 H new ATOM 0 HD3 PRO A 21 -14.728 -0.812 -12.678 1.00 40.21 H new ATOM 314 N LEU A 22 -10.404 -4.125 -12.041 1.00 72.41 N ATOM 315 CA LEU A 22 -9.842 -5.233 -11.312 1.00 24.04 C ATOM 316 C LEU A 22 -9.377 -4.751 -9.982 1.00 20.12 C ATOM 317 O LEU A 22 -9.047 -3.597 -9.845 1.00 2.24 O ATOM 318 CB LEU A 22 -8.684 -5.820 -12.084 1.00 11.51 C ATOM 319 CG LEU A 22 -9.033 -6.361 -13.450 1.00 31.21 C ATOM 320 CD1 LEU A 22 -7.800 -6.814 -14.151 1.00 42.14 C ATOM 321 CD2 LEU A 22 -10.019 -7.503 -13.332 1.00 23.23 C ATOM 0 H LEU A 22 -9.768 -3.703 -12.718 1.00 72.41 H new ATOM 0 HA LEU A 22 -10.598 -6.006 -11.176 1.00 24.04 H new ATOM 0 HB2 LEU A 22 -7.918 -5.053 -12.199 1.00 11.51 H new ATOM 0 HB3 LEU A 22 -8.244 -6.624 -11.494 1.00 11.51 H new ATOM 0 HG LEU A 22 -9.497 -5.564 -14.032 1.00 31.21 H new ATOM 0 HD11 LEU A 22 -8.063 -7.202 -15.135 1.00 42.14 H new ATOM 0 HD12 LEU A 22 -7.116 -5.973 -14.264 1.00 42.14 H new ATOM 0 HD13 LEU A 22 -7.318 -7.599 -13.568 1.00 42.14 H new ATOM 0 HD21 LEU A 22 -10.259 -7.880 -14.326 1.00 23.23 H new ATOM 0 HD22 LEU A 22 -9.579 -8.303 -12.736 1.00 23.23 H new ATOM 0 HD23 LEU A 22 -10.930 -7.149 -12.849 1.00 23.23 H new ATOM 333 N ARG A 23 -9.334 -5.613 -9.000 1.00 3.21 N ATOM 334 CA ARG A 23 -8.928 -5.157 -7.690 1.00 54.02 C ATOM 335 C ARG A 23 -7.417 -5.268 -7.516 1.00 45.31 C ATOM 336 O ARG A 23 -6.878 -4.934 -6.476 1.00 71.13 O ATOM 337 CB ARG A 23 -9.661 -5.878 -6.556 1.00 34.44 C ATOM 338 CG ARG A 23 -9.280 -7.327 -6.335 1.00 64.23 C ATOM 339 CD ARG A 23 -9.931 -7.869 -5.067 1.00 55.11 C ATOM 340 NE ARG A 23 -11.400 -7.924 -5.140 1.00 12.22 N ATOM 341 CZ ARG A 23 -12.248 -7.238 -4.358 1.00 23.33 C ATOM 342 NH1 ARG A 23 -11.794 -6.354 -3.463 1.00 13.24 N ATOM 343 NH2 ARG A 23 -13.540 -7.445 -4.483 1.00 12.30 N ATOM 0 H ARG A 23 -9.566 -6.604 -9.072 1.00 3.21 H new ATOM 0 HA ARG A 23 -9.211 -4.106 -7.627 1.00 54.02 H new ATOM 0 HB2 ARG A 23 -9.484 -5.331 -5.630 1.00 34.44 H new ATOM 0 HB3 ARG A 23 -10.732 -5.831 -6.754 1.00 34.44 H new ATOM 0 HG2 ARG A 23 -9.590 -7.924 -7.192 1.00 64.23 H new ATOM 0 HG3 ARG A 23 -8.196 -7.416 -6.260 1.00 64.23 H new ATOM 0 HD2 ARG A 23 -9.547 -8.870 -4.870 1.00 55.11 H new ATOM 0 HD3 ARG A 23 -9.640 -7.244 -4.223 1.00 55.11 H new ATOM 0 HE ARG A 23 -11.809 -8.536 -5.846 1.00 12.22 H new ATOM 0 HH11 ARG A 23 -10.791 -6.194 -3.368 1.00 13.24 H new ATOM 0 HH12 ARG A 23 -12.451 -5.840 -2.876 1.00 13.24 H new ATOM 0 HH21 ARG A 23 -13.885 -8.119 -5.167 1.00 12.30 H new ATOM 0 HH22 ARG A 23 -14.198 -6.932 -3.896 1.00 12.30 H new ATOM 357 N THR A 24 -6.753 -5.735 -8.541 1.00 72.43 N ATOM 358 CA THR A 24 -5.327 -5.855 -8.522 1.00 63.01 C ATOM 359 C THR A 24 -4.757 -5.693 -9.904 1.00 55.41 C ATOM 360 O THR A 24 -5.402 -6.038 -10.914 1.00 42.50 O ATOM 361 CB THR A 24 -4.835 -7.201 -7.902 1.00 64.31 C ATOM 362 OG1 THR A 24 -3.414 -7.317 -8.013 1.00 33.23 O ATOM 363 CG2 THR A 24 -5.516 -8.409 -8.531 1.00 1.42 C ATOM 0 H THR A 24 -7.190 -6.042 -9.410 1.00 72.43 H new ATOM 0 HA THR A 24 -4.965 -5.052 -7.881 1.00 63.01 H new ATOM 0 HB THR A 24 -5.110 -7.186 -6.847 1.00 64.31 H new ATOM 0 HG1 THR A 24 -3.106 -8.081 -7.482 1.00 33.23 H new ATOM 0 HG21 THR A 24 -5.141 -9.321 -8.067 1.00 1.42 H new ATOM 0 HG22 THR A 24 -6.593 -8.340 -8.378 1.00 1.42 H new ATOM 0 HG23 THR A 24 -5.302 -8.432 -9.600 1.00 1.42 H new ATOM 371 N LEU A 25 -3.559 -5.175 -9.942 1.00 35.21 N ATOM 372 CA LEU A 25 -2.811 -4.998 -11.149 1.00 4.23 C ATOM 373 C LEU A 25 -2.319 -6.365 -11.625 1.00 5.44 C ATOM 374 O LEU A 25 -1.992 -6.559 -12.805 1.00 44.01 O ATOM 375 CB LEU A 25 -1.651 -4.048 -10.872 1.00 13.03 C ATOM 376 CG LEU A 25 -0.744 -3.692 -12.040 1.00 41.34 C ATOM 377 CD1 LEU A 25 -1.544 -3.088 -13.186 1.00 61.52 C ATOM 378 CD2 LEU A 25 0.318 -2.724 -11.571 1.00 64.23 C ATOM 0 H LEU A 25 -3.066 -4.857 -9.108 1.00 35.21 H new ATOM 0 HA LEU A 25 -3.428 -4.563 -11.935 1.00 4.23 H new ATOM 0 HB2 LEU A 25 -2.062 -3.122 -10.471 1.00 13.03 H new ATOM 0 HB3 LEU A 25 -1.034 -4.489 -10.089 1.00 13.03 H new ATOM 0 HG LEU A 25 -0.269 -4.601 -12.409 1.00 41.34 H new ATOM 0 HD11 LEU A 25 -0.872 -2.842 -14.009 1.00 61.52 H new ATOM 0 HD12 LEU A 25 -2.289 -3.806 -13.528 1.00 61.52 H new ATOM 0 HD13 LEU A 25 -2.044 -2.182 -12.843 1.00 61.52 H new ATOM 0 HD21 LEU A 25 0.970 -2.467 -12.406 1.00 64.23 H new ATOM 0 HD22 LEU A 25 -0.157 -1.820 -11.189 1.00 64.23 H new ATOM 0 HD23 LEU A 25 0.908 -3.186 -10.779 1.00 64.23 H new ATOM 390 N TYR A 26 -2.293 -7.314 -10.693 1.00 1.00 N ATOM 391 CA TYR A 26 -1.897 -8.678 -10.973 1.00 32.23 C ATOM 392 C TYR A 26 -2.813 -9.291 -12.026 1.00 12.35 C ATOM 393 O TYR A 26 -2.345 -9.841 -13.017 1.00 61.11 O ATOM 394 CB TYR A 26 -1.931 -9.486 -9.670 1.00 4.04 C ATOM 395 CG TYR A 26 -1.575 -10.936 -9.801 1.00 63.40 C ATOM 396 CD1 TYR A 26 -0.395 -11.314 -10.373 1.00 23.20 C ATOM 397 CD2 TYR A 26 -2.411 -11.930 -9.305 1.00 44.05 C ATOM 398 CE1 TYR A 26 -0.039 -12.619 -10.469 1.00 72.23 C ATOM 399 CE2 TYR A 26 -2.058 -13.260 -9.401 1.00 71.24 C ATOM 400 CZ TYR A 26 -0.865 -13.592 -9.990 1.00 35.21 C ATOM 401 OH TYR A 26 -0.477 -14.897 -10.073 1.00 33.11 O ATOM 0 H TYR A 26 -2.549 -7.150 -9.719 1.00 1.00 H new ATOM 0 HA TYR A 26 -0.883 -8.693 -11.372 1.00 32.23 H new ATOM 0 HB2 TYR A 26 -1.246 -9.024 -8.959 1.00 4.04 H new ATOM 0 HB3 TYR A 26 -2.931 -9.412 -9.243 1.00 4.04 H new ATOM 0 HD1 TYR A 26 0.271 -10.556 -10.758 1.00 23.20 H new ATOM 0 HD2 TYR A 26 -3.347 -11.658 -8.840 1.00 44.05 H new ATOM 0 HE1 TYR A 26 0.902 -12.888 -10.926 1.00 72.23 H new ATOM 0 HE2 TYR A 26 -2.712 -14.029 -9.018 1.00 71.24 H new ATOM 0 HH TYR A 26 -1.269 -15.474 -10.076 1.00 33.11 H new ATOM 411 N GLN A 27 -4.115 -9.141 -11.832 1.00 74.44 N ATOM 412 CA GLN A 27 -5.094 -9.702 -12.745 1.00 41.23 C ATOM 413 C GLN A 27 -5.031 -9.001 -14.110 1.00 44.15 C ATOM 414 O GLN A 27 -5.296 -9.609 -15.133 1.00 53.33 O ATOM 415 CB GLN A 27 -6.511 -9.647 -12.136 1.00 44.53 C ATOM 416 CG GLN A 27 -7.616 -10.226 -13.026 1.00 55.14 C ATOM 417 CD GLN A 27 -7.397 -11.687 -13.386 1.00 23.32 C ATOM 418 OE1 GLN A 27 -6.806 -12.449 -12.628 1.00 14.04 O ATOM 419 NE2 GLN A 27 -7.875 -12.082 -14.538 1.00 11.03 N ATOM 0 H GLN A 27 -4.517 -8.632 -11.045 1.00 74.44 H new ATOM 0 HA GLN A 27 -4.852 -10.752 -12.906 1.00 41.23 H new ATOM 0 HB2 GLN A 27 -6.506 -10.188 -11.190 1.00 44.53 H new ATOM 0 HB3 GLN A 27 -6.754 -8.609 -11.909 1.00 44.53 H new ATOM 0 HG2 GLN A 27 -8.574 -10.125 -12.516 1.00 55.14 H new ATOM 0 HG3 GLN A 27 -7.679 -9.639 -13.942 1.00 55.14 H new ATOM 0 HE21 GLN A 27 -8.361 -11.420 -15.143 1.00 11.03 H new ATOM 0 HE22 GLN A 27 -7.762 -13.052 -14.832 1.00 11.03 H new ATOM 428 N ALA A 28 -4.648 -7.725 -14.106 1.00 12.14 N ATOM 429 CA ALA A 28 -4.490 -6.959 -15.314 1.00 52.32 C ATOM 430 C ALA A 28 -3.430 -7.598 -16.194 1.00 3.13 C ATOM 431 O ALA A 28 -3.596 -7.725 -17.411 1.00 64.00 O ATOM 432 CB ALA A 28 -4.135 -5.526 -14.969 1.00 41.44 C ATOM 0 H ALA A 28 -4.441 -7.203 -13.255 1.00 12.14 H new ATOM 0 HA ALA A 28 -5.428 -6.950 -15.870 1.00 52.32 H new ATOM 0 HB1 ALA A 28 -4.016 -4.950 -15.886 1.00 41.44 H new ATOM 0 HB2 ALA A 28 -4.931 -5.089 -14.366 1.00 41.44 H new ATOM 0 HB3 ALA A 28 -3.202 -5.508 -14.406 1.00 41.44 H new ATOM 438 N MET A 29 -2.346 -8.016 -15.575 1.00 70.01 N ATOM 439 CA MET A 29 -1.330 -8.728 -16.270 1.00 11.44 C ATOM 440 C MET A 29 -1.757 -10.129 -16.643 1.00 44.52 C ATOM 441 O MET A 29 -1.343 -10.635 -17.661 1.00 30.21 O ATOM 442 CB MET A 29 -0.006 -8.737 -15.534 1.00 53.11 C ATOM 443 CG MET A 29 0.794 -7.465 -15.672 1.00 25.12 C ATOM 444 SD MET A 29 2.461 -7.676 -15.088 1.00 21.12 S ATOM 445 CE MET A 29 3.137 -6.111 -15.550 1.00 21.45 C ATOM 0 H MET A 29 -2.158 -7.866 -14.584 1.00 70.01 H new ATOM 0 HA MET A 29 -1.173 -8.177 -17.197 1.00 11.44 H new ATOM 0 HB2 MET A 29 -0.194 -8.920 -14.476 1.00 53.11 H new ATOM 0 HB3 MET A 29 0.594 -9.570 -15.900 1.00 53.11 H new ATOM 0 HG2 MET A 29 0.810 -7.156 -16.717 1.00 25.12 H new ATOM 0 HG3 MET A 29 0.309 -6.666 -15.111 1.00 25.12 H new ATOM 0 HE1 MET A 29 4.221 -6.192 -15.628 1.00 21.45 H new ATOM 0 HE2 MET A 29 2.726 -5.807 -16.513 1.00 21.45 H new ATOM 0 HE3 MET A 29 2.882 -5.367 -14.795 1.00 21.45 H new ATOM 455 N ILE A 30 -2.583 -10.744 -15.825 1.00 41.20 N ATOM 456 CA ILE A 30 -3.072 -12.095 -16.109 1.00 30.02 C ATOM 457 C ILE A 30 -3.974 -12.118 -17.349 1.00 24.33 C ATOM 458 O ILE A 30 -3.891 -13.026 -18.169 1.00 31.22 O ATOM 459 CB ILE A 30 -3.813 -12.734 -14.898 1.00 55.34 C ATOM 460 CG1 ILE A 30 -2.889 -12.818 -13.684 1.00 62.24 C ATOM 461 CG2 ILE A 30 -4.342 -14.122 -15.250 1.00 73.12 C ATOM 462 CD1 ILE A 30 -3.532 -13.459 -12.479 1.00 45.32 C ATOM 0 H ILE A 30 -2.935 -10.340 -14.957 1.00 41.20 H new ATOM 0 HA ILE A 30 -2.186 -12.698 -16.307 1.00 30.02 H new ATOM 0 HB ILE A 30 -4.661 -12.095 -14.651 1.00 55.34 H new ATOM 0 HG12 ILE A 30 -1.998 -13.385 -13.955 1.00 62.24 H new ATOM 0 HG13 ILE A 30 -2.560 -11.814 -13.418 1.00 62.24 H new ATOM 0 HG21 ILE A 30 -4.855 -14.546 -14.387 1.00 73.12 H new ATOM 0 HG22 ILE A 30 -5.039 -14.045 -16.085 1.00 73.12 H new ATOM 0 HG23 ILE A 30 -3.510 -14.768 -15.531 1.00 73.12 H new ATOM 0 HD11 ILE A 30 -2.818 -13.485 -11.656 1.00 45.32 H new ATOM 0 HD12 ILE A 30 -4.407 -12.880 -12.182 1.00 45.32 H new ATOM 0 HD13 ILE A 30 -3.837 -14.476 -12.727 1.00 45.32 H new ATOM 474 N ILE A 31 -4.816 -11.127 -17.476 1.00 64.23 N ATOM 475 CA ILE A 31 -5.722 -11.044 -18.592 1.00 43.31 C ATOM 476 C ILE A 31 -4.974 -10.749 -19.890 1.00 23.03 C ATOM 477 O ILE A 31 -5.228 -11.367 -20.918 1.00 53.14 O ATOM 478 CB ILE A 31 -6.802 -9.961 -18.376 1.00 74.34 C ATOM 479 CG1 ILE A 31 -7.577 -10.242 -17.101 1.00 0.11 C ATOM 480 CG2 ILE A 31 -7.751 -9.943 -19.548 1.00 40.42 C ATOM 481 CD1 ILE A 31 -8.680 -9.258 -16.831 1.00 73.03 C ATOM 0 H ILE A 31 -4.894 -10.357 -16.812 1.00 64.23 H new ATOM 0 HA ILE A 31 -6.210 -12.016 -18.667 1.00 43.31 H new ATOM 0 HB ILE A 31 -6.313 -8.991 -18.290 1.00 74.34 H new ATOM 0 HG12 ILE A 31 -8.003 -11.244 -17.159 1.00 0.11 H new ATOM 0 HG13 ILE A 31 -6.885 -10.238 -16.258 1.00 0.11 H new ATOM 0 HG21 ILE A 31 -8.510 -9.177 -19.390 1.00 40.42 H new ATOM 0 HG22 ILE A 31 -7.198 -9.722 -20.461 1.00 40.42 H new ATOM 0 HG23 ILE A 31 -8.232 -10.917 -19.642 1.00 40.42 H new ATOM 0 HD11 ILE A 31 -9.187 -9.525 -15.904 1.00 73.03 H new ATOM 0 HD12 ILE A 31 -8.260 -8.256 -16.739 1.00 73.03 H new ATOM 0 HD13 ILE A 31 -9.395 -9.278 -17.654 1.00 73.03 H new ATOM 493 N THR A 32 -4.042 -9.829 -19.831 1.00 34.14 N ATOM 494 CA THR A 32 -3.333 -9.412 -21.009 1.00 2.15 C ATOM 495 C THR A 32 -2.227 -10.411 -21.370 1.00 30.51 C ATOM 496 O THR A 32 -1.989 -10.700 -22.550 1.00 11.12 O ATOM 497 CB THR A 32 -2.741 -8.002 -20.797 1.00 3.02 C ATOM 498 OG1 THR A 32 -1.893 -8.014 -19.631 1.00 25.05 O ATOM 499 CG2 THR A 32 -3.857 -6.976 -20.589 1.00 63.53 C ATOM 0 H THR A 32 -3.758 -9.355 -18.974 1.00 34.14 H new ATOM 0 HA THR A 32 -4.037 -9.379 -21.840 1.00 2.15 H new ATOM 0 HB THR A 32 -2.166 -7.727 -21.681 1.00 3.02 H new ATOM 0 HG1 THR A 32 -2.437 -7.867 -18.829 1.00 25.05 H new ATOM 0 HG21 THR A 32 -3.420 -5.988 -20.441 1.00 63.53 H new ATOM 0 HG22 THR A 32 -4.504 -6.959 -21.466 1.00 63.53 H new ATOM 0 HG23 THR A 32 -4.443 -7.249 -19.711 1.00 63.53 H new ATOM 507 N LYS A 33 -1.554 -10.926 -20.326 1.00 62.33 N ATOM 508 CA LYS A 33 -0.437 -11.887 -20.423 1.00 32.54 C ATOM 509 C LYS A 33 0.785 -11.263 -21.075 1.00 13.13 C ATOM 510 O LYS A 33 1.782 -11.931 -21.310 1.00 11.13 O ATOM 511 CB LYS A 33 -0.839 -13.177 -21.160 1.00 40.32 C ATOM 512 CG LYS A 33 -1.965 -13.952 -20.490 1.00 30.01 C ATOM 513 CD LYS A 33 -2.291 -15.240 -21.231 1.00 30.23 C ATOM 514 CE LYS A 33 -2.727 -14.983 -22.665 1.00 33.43 C ATOM 515 NZ LYS A 33 -3.073 -16.233 -23.363 1.00 31.03 N ATOM 0 H LYS A 33 -1.778 -10.679 -19.362 1.00 62.33 H new ATOM 0 HA LYS A 33 -0.178 -12.158 -19.400 1.00 32.54 H new ATOM 0 HB2 LYS A 33 -1.142 -12.923 -22.176 1.00 40.32 H new ATOM 0 HB3 LYS A 33 0.035 -13.824 -21.240 1.00 40.32 H new ATOM 0 HG2 LYS A 33 -1.683 -14.186 -19.463 1.00 30.01 H new ATOM 0 HG3 LYS A 33 -2.856 -13.327 -20.441 1.00 30.01 H new ATOM 0 HD2 LYS A 33 -1.415 -15.889 -21.230 1.00 30.23 H new ATOM 0 HD3 LYS A 33 -3.082 -15.771 -20.702 1.00 30.23 H new ATOM 0 HE2 LYS A 33 -3.588 -14.314 -22.669 1.00 33.43 H new ATOM 0 HE3 LYS A 33 -1.926 -14.476 -23.203 1.00 33.43 H new ATOM 0 HZ1 LYS A 33 -3.365 -16.017 -24.337 1.00 31.03 H new ATOM 0 HZ2 LYS A 33 -2.244 -16.861 -23.381 1.00 31.03 H new ATOM 0 HZ3 LYS A 33 -3.854 -16.705 -22.864 1.00 31.03 H new ATOM 529 N SER A 34 0.718 -9.983 -21.333 1.00 22.24 N ATOM 530 CA SER A 34 1.788 -9.313 -22.022 1.00 10.42 C ATOM 531 C SER A 34 2.777 -8.703 -21.031 1.00 62.41 C ATOM 532 O SER A 34 3.931 -8.412 -21.385 1.00 31.12 O ATOM 533 CB SER A 34 1.195 -8.219 -22.930 1.00 64.22 C ATOM 534 OG SER A 34 2.184 -7.575 -23.716 1.00 73.12 O ATOM 0 H SER A 34 -0.067 -9.384 -21.076 1.00 22.24 H new ATOM 0 HA SER A 34 2.330 -10.038 -22.629 1.00 10.42 H new ATOM 0 HB2 SER A 34 0.445 -8.662 -23.586 1.00 64.22 H new ATOM 0 HB3 SER A 34 0.684 -7.478 -22.315 1.00 64.22 H new ATOM 0 HG SER A 34 1.762 -6.891 -24.276 1.00 73.12 H new ATOM 540 N SER A 35 2.325 -8.519 -19.771 1.00 30.11 N ATOM 541 CA SER A 35 3.135 -7.883 -18.711 1.00 71.02 C ATOM 542 C SER A 35 3.503 -6.428 -19.142 1.00 11.54 C ATOM 543 O SER A 35 4.369 -5.768 -18.559 1.00 41.01 O ATOM 544 CB SER A 35 4.402 -8.732 -18.436 1.00 42.21 C ATOM 545 OG SER A 35 5.129 -8.270 -17.307 1.00 62.12 O ATOM 0 H SER A 35 1.396 -8.805 -19.463 1.00 30.11 H new ATOM 0 HA SER A 35 2.562 -7.830 -17.785 1.00 71.02 H new ATOM 0 HB2 SER A 35 4.113 -9.771 -18.278 1.00 42.21 H new ATOM 0 HB3 SER A 35 5.048 -8.711 -19.314 1.00 42.21 H new ATOM 0 HG SER A 35 5.185 -8.985 -16.639 1.00 62.12 H new ATOM 551 N LYS A 36 2.779 -5.949 -20.136 1.00 41.45 N ATOM 552 CA LYS A 36 2.955 -4.696 -20.769 1.00 1.35 C ATOM 553 C LYS A 36 1.621 -4.363 -21.347 1.00 3.32 C ATOM 554 O LYS A 36 0.812 -5.267 -21.585 1.00 52.31 O ATOM 555 CB LYS A 36 3.981 -4.788 -21.923 1.00 74.33 C ATOM 556 CG LYS A 36 5.400 -5.164 -21.509 1.00 62.40 C ATOM 557 CD LYS A 36 6.341 -5.245 -22.703 1.00 44.20 C ATOM 558 CE LYS A 36 5.931 -6.332 -23.696 1.00 52.43 C ATOM 559 NZ LYS A 36 5.939 -7.687 -23.089 1.00 31.34 N ATOM 0 H LYS A 36 2.003 -6.478 -20.535 1.00 41.45 H new ATOM 0 HA LYS A 36 3.321 -3.952 -20.062 1.00 1.35 H new ATOM 0 HB2 LYS A 36 3.625 -5.523 -22.645 1.00 74.33 H new ATOM 0 HB3 LYS A 36 4.013 -3.827 -22.435 1.00 74.33 H new ATOM 0 HG2 LYS A 36 5.778 -4.428 -20.799 1.00 62.40 H new ATOM 0 HG3 LYS A 36 5.385 -6.124 -20.994 1.00 62.40 H new ATOM 0 HD2 LYS A 36 6.362 -4.281 -23.212 1.00 44.20 H new ATOM 0 HD3 LYS A 36 7.354 -5.442 -22.351 1.00 44.20 H new ATOM 0 HE2 LYS A 36 4.934 -6.114 -24.078 1.00 52.43 H new ATOM 0 HE3 LYS A 36 6.609 -6.315 -24.549 1.00 52.43 H new ATOM 0 HZ1 LYS A 36 6.043 -8.402 -23.837 1.00 31.34 H new ATOM 0 HZ2 LYS A 36 6.734 -7.764 -22.423 1.00 31.34 H new ATOM 0 HZ3 LYS A 36 5.045 -7.845 -22.581 1.00 31.34 H new ATOM 573 N GLY A 37 1.388 -3.140 -21.543 1.00 52.45 N ATOM 574 CA GLY A 37 0.149 -2.690 -22.089 1.00 4.04 C ATOM 575 C GLY A 37 -0.310 -1.484 -21.357 1.00 33.24 C ATOM 576 O GLY A 37 0.470 -0.885 -20.600 1.00 31.40 O ATOM 0 H GLY A 37 2.051 -2.394 -21.332 1.00 52.45 H new ATOM 0 HA2 GLY A 37 0.269 -2.461 -23.148 1.00 4.04 H new ATOM 0 HA3 GLY A 37 -0.600 -3.479 -22.016 1.00 4.04 H new ATOM 580 N ASP A 38 -1.535 -1.112 -21.535 1.00 33.44 N ATOM 581 CA ASP A 38 -2.032 0.050 -20.865 1.00 61.30 C ATOM 582 C ASP A 38 -2.737 -0.371 -19.612 1.00 60.43 C ATOM 583 O ASP A 38 -3.761 -1.033 -19.655 1.00 73.41 O ATOM 584 CB ASP A 38 -2.967 0.864 -21.761 1.00 51.23 C ATOM 585 CG ASP A 38 -2.294 1.409 -22.996 1.00 24.11 C ATOM 586 OD1 ASP A 38 -1.660 2.482 -22.912 1.00 43.14 O ATOM 587 OD2 ASP A 38 -2.408 0.791 -24.080 1.00 73.31 O ATOM 0 H ASP A 38 -2.208 -1.590 -22.134 1.00 33.44 H new ATOM 0 HA ASP A 38 -1.189 0.694 -20.615 1.00 61.30 H new ATOM 0 HB2 ASP A 38 -3.807 0.237 -22.061 1.00 51.23 H new ATOM 0 HB3 ASP A 38 -3.378 1.693 -21.185 1.00 51.23 H new ATOM 592 N PHE A 39 -2.182 -0.015 -18.503 1.00 42.23 N ATOM 593 CA PHE A 39 -2.750 -0.362 -17.235 1.00 4.21 C ATOM 594 C PHE A 39 -3.040 0.899 -16.473 1.00 74.55 C ATOM 595 O PHE A 39 -2.117 1.654 -16.136 1.00 3.25 O ATOM 596 CB PHE A 39 -1.798 -1.263 -16.443 1.00 60.03 C ATOM 597 CG PHE A 39 -1.430 -2.546 -17.149 1.00 3.40 C ATOM 598 CD1 PHE A 39 -2.356 -3.553 -17.298 1.00 75.50 C ATOM 599 CD2 PHE A 39 -0.160 -2.735 -17.663 1.00 40.14 C ATOM 600 CE1 PHE A 39 -2.028 -4.729 -17.944 1.00 20.31 C ATOM 601 CE2 PHE A 39 0.174 -3.906 -18.306 1.00 63.23 C ATOM 602 CZ PHE A 39 -0.760 -4.903 -18.446 1.00 61.00 C ATOM 0 H PHE A 39 -1.319 0.526 -18.445 1.00 42.23 H new ATOM 0 HA PHE A 39 -3.676 -0.916 -17.391 1.00 4.21 H new ATOM 0 HB2 PHE A 39 -0.886 -0.707 -16.225 1.00 60.03 H new ATOM 0 HB3 PHE A 39 -2.259 -1.507 -15.486 1.00 60.03 H new ATOM 0 HD1 PHE A 39 -3.353 -3.422 -16.904 1.00 75.50 H new ATOM 0 HD2 PHE A 39 0.579 -1.954 -17.559 1.00 40.14 H new ATOM 0 HE1 PHE A 39 -2.766 -5.510 -18.054 1.00 20.31 H new ATOM 0 HE2 PHE A 39 1.170 -4.040 -18.700 1.00 63.23 H new ATOM 0 HZ PHE A 39 -0.499 -5.822 -18.950 1.00 61.00 H new ATOM 612 N LEU A 40 -4.295 1.147 -16.220 1.00 4.33 N ATOM 613 CA LEU A 40 -4.689 2.357 -15.555 1.00 31.22 C ATOM 614 C LEU A 40 -5.378 2.028 -14.251 1.00 52.22 C ATOM 615 O LEU A 40 -6.364 1.296 -14.219 1.00 13.24 O ATOM 616 CB LEU A 40 -5.606 3.199 -16.444 1.00 62.13 C ATOM 617 CG LEU A 40 -5.059 3.597 -17.825 1.00 65.11 C ATOM 618 CD1 LEU A 40 -6.083 4.413 -18.589 1.00 42.25 C ATOM 619 CD2 LEU A 40 -3.760 4.372 -17.693 1.00 14.52 C ATOM 0 H LEU A 40 -5.065 0.525 -16.465 1.00 4.33 H new ATOM 0 HA LEU A 40 -3.793 2.942 -15.347 1.00 31.22 H new ATOM 0 HB2 LEU A 40 -6.535 2.648 -16.592 1.00 62.13 H new ATOM 0 HB3 LEU A 40 -5.859 4.111 -15.903 1.00 62.13 H new ATOM 0 HG LEU A 40 -4.856 2.682 -18.382 1.00 65.11 H new ATOM 0 HD11 LEU A 40 -5.678 4.685 -19.564 1.00 42.25 H new ATOM 0 HD12 LEU A 40 -6.990 3.824 -18.725 1.00 42.25 H new ATOM 0 HD13 LEU A 40 -6.319 5.318 -18.029 1.00 42.25 H new ATOM 0 HD21 LEU A 40 -3.395 4.641 -18.684 1.00 14.52 H new ATOM 0 HD22 LEU A 40 -3.934 5.278 -17.112 1.00 14.52 H new ATOM 0 HD23 LEU A 40 -3.017 3.754 -17.188 1.00 14.52 H new ATOM 631 N ILE A 41 -4.863 2.565 -13.193 1.00 20.43 N ATOM 632 CA ILE A 41 -5.367 2.296 -11.891 1.00 1.32 C ATOM 633 C ILE A 41 -6.100 3.520 -11.346 1.00 11.41 C ATOM 634 O ILE A 41 -5.664 4.652 -11.543 1.00 14.31 O ATOM 635 CB ILE A 41 -4.228 1.847 -10.930 1.00 55.42 C ATOM 636 CG1 ILE A 41 -3.480 0.647 -11.570 1.00 14.21 C ATOM 637 CG2 ILE A 41 -4.789 1.497 -9.554 1.00 2.23 C ATOM 638 CD1 ILE A 41 -2.546 -0.114 -10.667 1.00 72.14 C ATOM 0 H ILE A 41 -4.072 3.209 -13.211 1.00 20.43 H new ATOM 0 HA ILE A 41 -6.078 1.473 -11.960 1.00 1.32 H new ATOM 0 HB ILE A 41 -3.522 2.664 -10.783 1.00 55.42 H new ATOM 0 HG12 ILE A 41 -4.222 -0.050 -11.961 1.00 14.21 H new ATOM 0 HG13 ILE A 41 -2.908 1.015 -12.422 1.00 14.21 H new ATOM 0 HG21 ILE A 41 -3.976 1.186 -8.898 1.00 2.23 H new ATOM 0 HG22 ILE A 41 -5.283 2.371 -9.130 1.00 2.23 H new ATOM 0 HG23 ILE A 41 -5.509 0.684 -9.651 1.00 2.23 H new ATOM 0 HD11 ILE A 41 -2.083 -0.928 -11.225 1.00 72.14 H new ATOM 0 HD12 ILE A 41 -1.772 0.557 -10.295 1.00 72.14 H new ATOM 0 HD13 ILE A 41 -3.106 -0.524 -9.826 1.00 72.14 H new ATOM 650 N ARG A 42 -7.218 3.279 -10.694 1.00 5.42 N ATOM 651 CA ARG A 42 -8.051 4.323 -10.152 1.00 53.23 C ATOM 652 C ARG A 42 -7.366 4.906 -8.934 1.00 51.32 C ATOM 653 O ARG A 42 -6.993 4.186 -8.009 1.00 2.30 O ATOM 654 CB ARG A 42 -9.391 3.752 -9.738 1.00 23.13 C ATOM 655 CG ARG A 42 -10.506 4.767 -9.512 1.00 42.13 C ATOM 656 CD ARG A 42 -10.983 5.394 -10.827 1.00 62.34 C ATOM 657 NE ARG A 42 -12.360 5.885 -10.727 1.00 60.44 N ATOM 658 CZ ARG A 42 -13.060 6.479 -11.709 1.00 63.35 C ATOM 659 NH1 ARG A 42 -12.526 6.666 -12.917 1.00 52.32 N ATOM 660 NH2 ARG A 42 -14.294 6.884 -11.475 1.00 21.45 N ATOM 0 H ARG A 42 -7.575 2.339 -10.525 1.00 5.42 H new ATOM 0 HA ARG A 42 -8.207 5.094 -10.907 1.00 53.23 H new ATOM 0 HB2 ARG A 42 -9.717 3.048 -10.504 1.00 23.13 H new ATOM 0 HB3 ARG A 42 -9.253 3.182 -8.819 1.00 23.13 H new ATOM 0 HG2 ARG A 42 -11.346 4.280 -9.017 1.00 42.13 H new ATOM 0 HG3 ARG A 42 -10.153 5.552 -8.843 1.00 42.13 H new ATOM 0 HD2 ARG A 42 -10.322 6.217 -11.098 1.00 62.34 H new ATOM 0 HD3 ARG A 42 -10.917 4.656 -11.627 1.00 62.34 H new ATOM 0 HE ARG A 42 -12.831 5.765 -9.830 1.00 60.44 H new ATOM 0 HH11 ARG A 42 -11.573 6.357 -13.107 1.00 52.32 H new ATOM 0 HH12 ARG A 42 -13.071 7.118 -13.651 1.00 52.32 H new ATOM 0 HH21 ARG A 42 -14.710 6.746 -10.554 1.00 21.45 H new ATOM 0 HH22 ARG A 42 -14.832 7.336 -12.215 1.00 21.45 H new ATOM 674 N THR A 43 -7.214 6.166 -8.948 1.00 32.24 N ATOM 675 CA THR A 43 -6.532 6.881 -7.914 1.00 54.20 C ATOM 676 C THR A 43 -7.368 8.106 -7.563 1.00 74.02 C ATOM 677 O THR A 43 -8.179 8.545 -8.383 1.00 71.42 O ATOM 678 CB THR A 43 -5.087 7.279 -8.358 1.00 5.24 C ATOM 679 OG1 THR A 43 -4.337 7.767 -7.243 1.00 31.32 O ATOM 680 CG2 THR A 43 -5.115 8.353 -9.433 1.00 4.01 C ATOM 0 H THR A 43 -7.566 6.763 -9.696 1.00 32.24 H new ATOM 0 HA THR A 43 -6.418 6.248 -7.034 1.00 54.20 H new ATOM 0 HB THR A 43 -4.615 6.383 -8.761 1.00 5.24 H new ATOM 0 HG1 THR A 43 -3.434 8.010 -7.537 1.00 31.32 H new ATOM 0 HG21 THR A 43 -4.095 8.607 -9.720 1.00 4.01 H new ATOM 0 HG22 THR A 43 -5.655 7.982 -10.304 1.00 4.01 H new ATOM 0 HG23 THR A 43 -5.616 9.241 -9.047 1.00 4.01 H new ATOM 688 N LYS A 44 -7.218 8.634 -6.374 1.00 3.21 N ATOM 689 CA LYS A 44 -8.008 9.785 -5.991 1.00 1.33 C ATOM 690 C LYS A 44 -7.134 11.012 -6.002 1.00 54.13 C ATOM 691 O LYS A 44 -6.100 11.078 -5.324 1.00 63.34 O ATOM 692 CB LYS A 44 -8.682 9.636 -4.598 1.00 32.53 C ATOM 693 CG LYS A 44 -9.714 8.521 -4.460 1.00 13.14 C ATOM 694 CD LYS A 44 -9.073 7.152 -4.372 1.00 2.23 C ATOM 695 CE LYS A 44 -8.311 6.964 -3.061 1.00 53.30 C ATOM 696 NZ LYS A 44 -7.708 5.626 -2.968 1.00 32.30 N ATOM 0 H LYS A 44 -6.569 8.295 -5.663 1.00 3.21 H new ATOM 0 HA LYS A 44 -8.815 9.874 -6.718 1.00 1.33 H new ATOM 0 HB2 LYS A 44 -7.901 9.472 -3.856 1.00 32.53 H new ATOM 0 HB3 LYS A 44 -9.165 10.581 -4.349 1.00 32.53 H new ATOM 0 HG2 LYS A 44 -10.317 8.695 -3.569 1.00 13.14 H new ATOM 0 HG3 LYS A 44 -10.391 8.548 -5.314 1.00 13.14 H new ATOM 0 HD2 LYS A 44 -9.842 6.385 -4.458 1.00 2.23 H new ATOM 0 HD3 LYS A 44 -8.391 7.016 -5.211 1.00 2.23 H new ATOM 0 HE2 LYS A 44 -7.531 7.721 -2.982 1.00 53.30 H new ATOM 0 HE3 LYS A 44 -8.989 7.117 -2.221 1.00 53.30 H new ATOM 0 HZ1 LYS A 44 -8.339 4.998 -2.431 1.00 32.30 H new ATOM 0 HZ2 LYS A 44 -7.568 5.241 -3.924 1.00 32.30 H new ATOM 0 HZ3 LYS A 44 -6.790 5.692 -2.483 1.00 32.30 H new ATOM 710 N LYS A 45 -7.535 11.951 -6.805 1.00 3.21 N ATOM 711 CA LYS A 45 -6.826 13.176 -7.002 1.00 1.33 C ATOM 712 C LYS A 45 -7.788 14.332 -6.821 1.00 20.20 C ATOM 713 O LYS A 45 -8.722 14.504 -7.625 1.00 74.11 O ATOM 714 CB LYS A 45 -6.249 13.200 -8.425 1.00 44.31 C ATOM 715 CG LYS A 45 -5.458 14.430 -8.777 1.00 54.11 C ATOM 716 CD LYS A 45 -4.901 14.304 -10.174 1.00 64.25 C ATOM 717 CE LYS A 45 -3.800 13.255 -10.282 1.00 4.34 C ATOM 718 NZ LYS A 45 -2.616 13.593 -9.465 1.00 4.20 N ATOM 0 H LYS A 45 -8.390 11.882 -7.357 1.00 3.21 H new ATOM 0 HA LYS A 45 -6.013 13.260 -6.281 1.00 1.33 H new ATOM 0 HB2 LYS A 45 -5.609 12.327 -8.555 1.00 44.31 H new ATOM 0 HB3 LYS A 45 -7.071 13.101 -9.134 1.00 44.31 H new ATOM 0 HG2 LYS A 45 -6.094 15.313 -8.708 1.00 54.11 H new ATOM 0 HG3 LYS A 45 -4.645 14.566 -8.064 1.00 54.11 H new ATOM 0 HD2 LYS A 45 -5.709 14.048 -10.860 1.00 64.25 H new ATOM 0 HD3 LYS A 45 -4.508 15.270 -10.491 1.00 64.25 H new ATOM 0 HE2 LYS A 45 -4.191 12.288 -9.966 1.00 4.34 H new ATOM 0 HE3 LYS A 45 -3.501 13.153 -11.325 1.00 4.34 H new ATOM 0 HZ1 LYS A 45 -1.821 12.980 -9.736 1.00 4.20 H new ATOM 0 HZ2 LYS A 45 -2.356 14.587 -9.625 1.00 4.20 H new ATOM 0 HZ3 LYS A 45 -2.836 13.450 -8.459 1.00 4.20 H new ATOM 732 N ASP A 46 -7.605 15.080 -5.741 1.00 25.11 N ATOM 733 CA ASP A 46 -8.423 16.279 -5.453 1.00 21.25 C ATOM 734 C ASP A 46 -9.910 15.953 -5.336 1.00 10.31 C ATOM 735 O ASP A 46 -10.769 16.765 -5.691 1.00 3.54 O ATOM 736 CB ASP A 46 -8.191 17.398 -6.494 1.00 3.42 C ATOM 737 CG ASP A 46 -6.849 18.075 -6.371 1.00 11.35 C ATOM 738 OD1 ASP A 46 -6.656 18.843 -5.403 1.00 54.41 O ATOM 739 OD2 ASP A 46 -5.962 17.857 -7.234 1.00 74.11 O ATOM 0 H ASP A 46 -6.894 14.885 -5.036 1.00 25.11 H new ATOM 0 HA ASP A 46 -8.091 16.647 -4.482 1.00 21.25 H new ATOM 0 HB2 ASP A 46 -8.284 16.976 -7.495 1.00 3.42 H new ATOM 0 HB3 ASP A 46 -8.976 18.147 -6.390 1.00 3.42 H new ATOM 744 N GLY A 47 -10.205 14.791 -4.796 1.00 72.45 N ATOM 745 CA GLY A 47 -11.583 14.391 -4.588 1.00 51.40 C ATOM 746 C GLY A 47 -12.203 13.670 -5.768 1.00 21.43 C ATOM 747 O GLY A 47 -13.372 13.279 -5.718 1.00 25.31 O ATOM 0 H GLY A 47 -9.512 14.106 -4.493 1.00 72.45 H new ATOM 0 HA2 GLY A 47 -11.634 13.743 -3.713 1.00 51.40 H new ATOM 0 HA3 GLY A 47 -12.177 15.277 -4.364 1.00 51.40 H new ATOM 751 N LYS A 48 -11.454 13.484 -6.829 1.00 42.33 N ATOM 752 CA LYS A 48 -11.968 12.740 -7.962 1.00 22.44 C ATOM 753 C LYS A 48 -11.195 11.466 -8.138 1.00 70.41 C ATOM 754 O LYS A 48 -9.992 11.421 -7.873 1.00 25.10 O ATOM 755 CB LYS A 48 -11.912 13.534 -9.270 1.00 64.11 C ATOM 756 CG LYS A 48 -12.704 14.823 -9.281 1.00 20.01 C ATOM 757 CD LYS A 48 -12.654 15.461 -10.663 1.00 31.04 C ATOM 758 CE LYS A 48 -13.302 16.831 -10.678 1.00 55.43 C ATOM 759 NZ LYS A 48 -12.581 17.779 -9.800 1.00 64.33 N ATOM 0 H LYS A 48 -10.500 13.830 -6.935 1.00 42.33 H new ATOM 0 HA LYS A 48 -13.015 12.529 -7.743 1.00 22.44 H new ATOM 0 HB2 LYS A 48 -10.870 13.766 -9.490 1.00 64.11 H new ATOM 0 HB3 LYS A 48 -12.275 12.898 -10.077 1.00 64.11 H new ATOM 0 HG2 LYS A 48 -13.739 14.625 -9.002 1.00 20.01 H new ATOM 0 HG3 LYS A 48 -12.300 15.512 -8.540 1.00 20.01 H new ATOM 0 HD2 LYS A 48 -11.616 15.547 -10.986 1.00 31.04 H new ATOM 0 HD3 LYS A 48 -13.158 14.813 -11.380 1.00 31.04 H new ATOM 0 HE2 LYS A 48 -13.317 17.217 -11.697 1.00 55.43 H new ATOM 0 HE3 LYS A 48 -14.339 16.748 -10.353 1.00 55.43 H new ATOM 0 HZ1 LYS A 48 -12.841 18.753 -10.053 1.00 64.33 H new ATOM 0 HZ2 LYS A 48 -12.838 17.598 -8.809 1.00 64.33 H new ATOM 0 HZ3 LYS A 48 -11.556 17.652 -9.920 1.00 64.33 H new ATOM 773 N GLN A 49 -11.870 10.443 -8.561 1.00 23.34 N ATOM 774 CA GLN A 49 -11.257 9.208 -8.863 1.00 22.24 C ATOM 775 C GLN A 49 -10.887 9.239 -10.326 1.00 63.21 C ATOM 776 O GLN A 49 -11.748 9.428 -11.186 1.00 10.14 O ATOM 777 CB GLN A 49 -12.220 8.069 -8.618 1.00 5.00 C ATOM 778 CG GLN A 49 -12.693 7.886 -7.198 1.00 2.11 C ATOM 779 CD GLN A 49 -13.683 6.744 -7.102 1.00 44.32 C ATOM 780 OE1 GLN A 49 -13.617 5.782 -7.884 1.00 11.13 O ATOM 781 NE2 GLN A 49 -14.592 6.827 -6.160 1.00 30.51 N ATOM 0 H GLN A 49 -12.880 10.453 -8.705 1.00 23.34 H new ATOM 0 HA GLN A 49 -10.380 9.057 -8.233 1.00 22.24 H new ATOM 0 HB2 GLN A 49 -13.094 8.217 -9.253 1.00 5.00 H new ATOM 0 HB3 GLN A 49 -11.744 7.143 -8.942 1.00 5.00 H new ATOM 0 HG2 GLN A 49 -11.840 7.689 -6.549 1.00 2.11 H new ATOM 0 HG3 GLN A 49 -13.157 8.806 -6.844 1.00 2.11 H new ATOM 0 HE21 GLN A 49 -14.610 7.636 -5.539 1.00 30.51 H new ATOM 0 HE22 GLN A 49 -15.281 6.083 -6.049 1.00 30.51 H new ATOM 790 N VAL A 50 -9.648 9.071 -10.613 1.00 14.33 N ATOM 791 CA VAL A 50 -9.165 9.149 -11.971 1.00 20.23 C ATOM 792 C VAL A 50 -8.341 7.938 -12.292 1.00 2.03 C ATOM 793 O VAL A 50 -8.038 7.143 -11.404 1.00 73.10 O ATOM 794 CB VAL A 50 -8.330 10.443 -12.238 1.00 61.44 C ATOM 795 CG1 VAL A 50 -9.187 11.692 -12.078 1.00 2.42 C ATOM 796 CG2 VAL A 50 -7.116 10.517 -11.318 1.00 1.04 C ATOM 0 H VAL A 50 -8.926 8.874 -9.920 1.00 14.33 H new ATOM 0 HA VAL A 50 -10.040 9.188 -12.620 1.00 20.23 H new ATOM 0 HB VAL A 50 -7.977 10.395 -13.268 1.00 61.44 H new ATOM 0 HG11 VAL A 50 -8.580 12.577 -12.270 1.00 2.42 H new ATOM 0 HG12 VAL A 50 -10.014 11.659 -12.787 1.00 2.42 H new ATOM 0 HG13 VAL A 50 -9.581 11.735 -11.063 1.00 2.42 H new ATOM 0 HG21 VAL A 50 -6.555 11.428 -11.528 1.00 1.04 H new ATOM 0 HG22 VAL A 50 -7.447 10.525 -10.279 1.00 1.04 H new ATOM 0 HG23 VAL A 50 -6.477 9.650 -11.488 1.00 1.04 H new ATOM 806 N TRP A 51 -8.001 7.779 -13.536 1.00 10.21 N ATOM 807 CA TRP A 51 -7.192 6.680 -13.959 1.00 63.34 C ATOM 808 C TRP A 51 -5.748 7.130 -14.109 1.00 45.24 C ATOM 809 O TRP A 51 -5.444 8.054 -14.874 1.00 73.33 O ATOM 810 CB TRP A 51 -7.719 6.098 -15.266 1.00 63.10 C ATOM 811 CG TRP A 51 -9.103 5.562 -15.181 1.00 50.11 C ATOM 812 CD1 TRP A 51 -10.173 6.044 -15.824 1.00 3.13 C ATOM 813 CD2 TRP A 51 -9.565 4.445 -14.402 1.00 42.43 C ATOM 814 NE1 TRP A 51 -11.290 5.307 -15.522 1.00 43.11 N ATOM 815 CE2 TRP A 51 -10.945 4.318 -14.648 1.00 64.31 C ATOM 816 CE3 TRP A 51 -8.950 3.539 -13.532 1.00 63.24 C ATOM 817 CZ2 TRP A 51 -11.723 3.329 -14.059 1.00 75.03 C ATOM 818 CZ3 TRP A 51 -9.728 2.557 -12.945 1.00 53.11 C ATOM 819 CH2 TRP A 51 -11.100 2.459 -13.213 1.00 74.14 C ATOM 0 H TRP A 51 -8.279 8.411 -14.287 1.00 10.21 H new ATOM 0 HA TRP A 51 -7.236 5.896 -13.203 1.00 63.34 H new ATOM 0 HB2 TRP A 51 -7.688 6.871 -16.034 1.00 63.10 H new ATOM 0 HB3 TRP A 51 -7.052 5.300 -15.590 1.00 63.10 H new ATOM 0 HD1 TRP A 51 -10.159 6.895 -16.489 1.00 3.13 H new ATOM 0 HE1 TRP A 51 -12.227 5.472 -15.891 1.00 43.11 H new ATOM 0 HE3 TRP A 51 -7.892 3.604 -13.323 1.00 63.24 H new ATOM 0 HZ2 TRP A 51 -12.781 3.252 -14.263 1.00 75.03 H new ATOM 0 HZ3 TRP A 51 -9.269 1.852 -12.267 1.00 53.11 H new ATOM 0 HH2 TRP A 51 -11.676 1.678 -12.740 1.00 74.14 H new ATOM 830 N GLU A 52 -4.882 6.493 -13.383 1.00 1.13 N ATOM 831 CA GLU A 52 -3.475 6.798 -13.375 1.00 15.24 C ATOM 832 C GLU A 52 -2.720 5.614 -13.936 1.00 34.42 C ATOM 833 O GLU A 52 -3.112 4.478 -13.731 1.00 52.12 O ATOM 834 CB GLU A 52 -3.035 7.089 -11.929 1.00 61.44 C ATOM 835 CG GLU A 52 -1.556 7.379 -11.741 1.00 61.32 C ATOM 836 CD GLU A 52 -1.085 8.537 -12.571 1.00 54.15 C ATOM 837 OE1 GLU A 52 -1.209 9.688 -12.130 1.00 75.45 O ATOM 838 OE2 GLU A 52 -0.581 8.306 -13.681 1.00 40.42 O ATOM 0 H GLU A 52 -5.136 5.725 -12.761 1.00 1.13 H new ATOM 0 HA GLU A 52 -3.266 7.675 -13.988 1.00 15.24 H new ATOM 0 HB2 GLU A 52 -3.604 7.942 -11.559 1.00 61.44 H new ATOM 0 HB3 GLU A 52 -3.302 6.234 -11.308 1.00 61.44 H new ATOM 0 HG2 GLU A 52 -1.361 7.588 -10.689 1.00 61.32 H new ATOM 0 HG3 GLU A 52 -0.979 6.491 -12.002 1.00 61.32 H new ATOM 845 N ALA A 53 -1.657 5.876 -14.640 1.00 30.40 N ATOM 846 CA ALA A 53 -0.890 4.829 -15.254 1.00 63.51 C ATOM 847 C ALA A 53 -0.118 4.058 -14.207 1.00 5.50 C ATOM 848 O ALA A 53 0.428 4.647 -13.254 1.00 55.42 O ATOM 849 CB ALA A 53 0.051 5.403 -16.296 1.00 3.03 C ATOM 0 H ALA A 53 -1.298 6.816 -14.805 1.00 30.40 H new ATOM 0 HA ALA A 53 -1.575 4.143 -15.751 1.00 63.51 H new ATOM 0 HB1 ALA A 53 0.625 4.596 -16.752 1.00 3.03 H new ATOM 0 HB2 ALA A 53 -0.527 5.916 -17.065 1.00 3.03 H new ATOM 0 HB3 ALA A 53 0.732 6.109 -15.821 1.00 3.03 H new ATOM 855 N ALA A 54 -0.112 2.755 -14.342 1.00 71.04 N ATOM 856 CA ALA A 54 0.657 1.910 -13.469 1.00 14.41 C ATOM 857 C ALA A 54 2.138 2.142 -13.720 1.00 13.25 C ATOM 858 O ALA A 54 2.533 2.550 -14.820 1.00 35.22 O ATOM 859 CB ALA A 54 0.296 0.451 -13.692 1.00 62.41 C ATOM 0 H ALA A 54 -0.638 2.254 -15.058 1.00 71.04 H new ATOM 0 HA ALA A 54 0.429 2.158 -12.432 1.00 14.41 H new ATOM 0 HB1 ALA A 54 0.886 -0.176 -13.024 1.00 62.41 H new ATOM 0 HB2 ALA A 54 -0.764 0.303 -13.486 1.00 62.41 H new ATOM 0 HB3 ALA A 54 0.506 0.178 -14.726 1.00 62.41 H new ATOM 865 N SER A 55 2.943 1.878 -12.739 1.00 23.11 N ATOM 866 CA SER A 55 4.338 2.109 -12.850 1.00 63.01 C ATOM 867 C SER A 55 4.986 0.799 -13.171 1.00 72.24 C ATOM 868 O SER A 55 4.433 -0.253 -12.836 1.00 22.44 O ATOM 869 CB SER A 55 4.872 2.684 -11.532 1.00 44.11 C ATOM 870 OG SER A 55 4.576 1.824 -10.439 1.00 53.13 O ATOM 0 H SER A 55 2.646 1.496 -11.841 1.00 23.11 H new ATOM 0 HA SER A 55 4.558 2.831 -13.637 1.00 63.01 H new ATOM 0 HB2 SER A 55 5.950 2.826 -11.605 1.00 44.11 H new ATOM 0 HB3 SER A 55 4.432 3.666 -11.356 1.00 44.11 H new ATOM 0 HG SER A 55 5.380 1.702 -9.892 1.00 53.13 H new ATOM 876 N LYS A 56 6.133 0.827 -13.801 1.00 44.43 N ATOM 877 CA LYS A 56 6.808 -0.396 -14.171 1.00 13.24 C ATOM 878 C LYS A 56 7.254 -1.163 -12.930 1.00 72.50 C ATOM 879 O LYS A 56 7.379 -2.381 -12.954 1.00 20.32 O ATOM 880 CB LYS A 56 7.960 -0.134 -15.138 1.00 14.40 C ATOM 881 CG LYS A 56 7.512 0.547 -16.422 1.00 2.20 C ATOM 882 CD LYS A 56 8.642 0.699 -17.418 1.00 71.53 C ATOM 883 CE LYS A 56 8.173 1.435 -18.674 1.00 70.21 C ATOM 884 NZ LYS A 56 7.041 0.745 -19.349 1.00 23.40 N ATOM 0 H LYS A 56 6.621 1.682 -14.069 1.00 44.43 H new ATOM 0 HA LYS A 56 6.098 -1.027 -14.705 1.00 13.24 H new ATOM 0 HB2 LYS A 56 8.707 0.487 -14.645 1.00 14.40 H new ATOM 0 HB3 LYS A 56 8.444 -1.079 -15.384 1.00 14.40 H new ATOM 0 HG2 LYS A 56 6.707 -0.031 -16.875 1.00 2.20 H new ATOM 0 HG3 LYS A 56 7.104 1.530 -16.186 1.00 2.20 H new ATOM 0 HD2 LYS A 56 9.465 1.246 -16.958 1.00 71.53 H new ATOM 0 HD3 LYS A 56 9.025 -0.284 -17.691 1.00 71.53 H new ATOM 0 HE2 LYS A 56 7.870 2.447 -18.406 1.00 70.21 H new ATOM 0 HE3 LYS A 56 9.006 1.526 -19.371 1.00 70.21 H new ATOM 0 HZ1 LYS A 56 6.893 1.161 -20.291 1.00 23.40 H new ATOM 0 HZ2 LYS A 56 7.260 -0.267 -19.447 1.00 23.40 H new ATOM 0 HZ3 LYS A 56 6.177 0.858 -18.781 1.00 23.40 H new ATOM 898 N THR A 57 7.455 -0.437 -11.849 1.00 71.45 N ATOM 899 CA THR A 57 7.781 -1.027 -10.576 1.00 65.05 C ATOM 900 C THR A 57 6.561 -1.807 -10.029 1.00 10.51 C ATOM 901 O THR A 57 6.685 -2.958 -9.601 1.00 33.14 O ATOM 902 CB THR A 57 8.201 0.065 -9.576 1.00 71.11 C ATOM 903 OG1 THR A 57 9.282 0.818 -10.138 1.00 35.22 O ATOM 904 CG2 THR A 57 8.652 -0.545 -8.258 1.00 32.04 C ATOM 0 H THR A 57 7.396 0.581 -11.833 1.00 71.45 H new ATOM 0 HA THR A 57 8.614 -1.718 -10.710 1.00 65.05 H new ATOM 0 HB THR A 57 7.343 0.709 -9.383 1.00 71.11 H new ATOM 0 HG1 THR A 57 9.555 1.518 -9.508 1.00 35.22 H new ATOM 0 HG21 THR A 57 8.943 0.249 -7.570 1.00 32.04 H new ATOM 0 HG22 THR A 57 7.834 -1.119 -7.824 1.00 32.04 H new ATOM 0 HG23 THR A 57 9.503 -1.203 -8.434 1.00 32.04 H new ATOM 912 N ALA A 58 5.382 -1.181 -10.073 1.00 51.04 N ATOM 913 CA ALA A 58 4.154 -1.830 -9.622 1.00 20.34 C ATOM 914 C ALA A 58 3.821 -2.987 -10.540 1.00 14.43 C ATOM 915 O ALA A 58 3.375 -4.052 -10.096 1.00 34.23 O ATOM 916 CB ALA A 58 3.004 -0.843 -9.577 1.00 63.13 C ATOM 0 H ALA A 58 5.255 -0.229 -10.416 1.00 51.04 H new ATOM 0 HA ALA A 58 4.311 -2.208 -8.612 1.00 20.34 H new ATOM 0 HB1 ALA A 58 2.101 -1.351 -9.238 1.00 63.13 H new ATOM 0 HB2 ALA A 58 3.246 -0.034 -8.887 1.00 63.13 H new ATOM 0 HB3 ALA A 58 2.837 -0.433 -10.573 1.00 63.13 H new ATOM 922 N LEU A 59 4.052 -2.776 -11.822 1.00 35.43 N ATOM 923 CA LEU A 59 3.867 -3.793 -12.819 1.00 13.21 C ATOM 924 C LEU A 59 4.794 -4.988 -12.546 1.00 53.43 C ATOM 925 O LEU A 59 4.365 -6.136 -12.617 1.00 62.02 O ATOM 926 CB LEU A 59 4.088 -3.202 -14.216 1.00 2.51 C ATOM 927 CG LEU A 59 3.037 -2.209 -14.723 1.00 54.54 C ATOM 928 CD1 LEU A 59 3.482 -1.608 -16.046 1.00 31.31 C ATOM 929 CD2 LEU A 59 1.713 -2.906 -14.917 1.00 71.40 C ATOM 0 H LEU A 59 4.376 -1.884 -12.196 1.00 35.43 H new ATOM 0 HA LEU A 59 2.843 -4.163 -12.773 1.00 13.21 H new ATOM 0 HB2 LEU A 59 5.057 -2.704 -14.224 1.00 2.51 H new ATOM 0 HB3 LEU A 59 4.147 -4.026 -14.927 1.00 2.51 H new ATOM 0 HG LEU A 59 2.925 -1.417 -13.982 1.00 54.54 H new ATOM 0 HD11 LEU A 59 2.728 -0.904 -16.398 1.00 31.31 H new ATOM 0 HD12 LEU A 59 4.429 -1.087 -15.909 1.00 31.31 H new ATOM 0 HD13 LEU A 59 3.608 -2.402 -16.782 1.00 31.31 H new ATOM 0 HD21 LEU A 59 0.974 -2.190 -15.277 1.00 71.40 H new ATOM 0 HD22 LEU A 59 1.827 -3.708 -15.647 1.00 71.40 H new ATOM 0 HD23 LEU A 59 1.379 -3.324 -13.967 1.00 71.40 H new ATOM 941 N LYS A 60 6.052 -4.708 -12.212 1.00 30.14 N ATOM 942 CA LYS A 60 7.007 -5.730 -11.841 1.00 73.43 C ATOM 943 C LYS A 60 6.485 -6.560 -10.665 1.00 53.11 C ATOM 944 O LYS A 60 6.518 -7.776 -10.708 1.00 20.24 O ATOM 945 CB LYS A 60 8.362 -5.092 -11.481 1.00 41.10 C ATOM 946 CG LYS A 60 9.419 -6.088 -11.020 1.00 50.41 C ATOM 947 CD LYS A 60 9.771 -7.098 -12.101 1.00 22.31 C ATOM 948 CE LYS A 60 10.479 -6.447 -13.277 1.00 14.30 C ATOM 949 NZ LYS A 60 10.933 -7.445 -14.272 1.00 24.15 N ATOM 0 H LYS A 60 6.431 -3.761 -12.193 1.00 30.14 H new ATOM 0 HA LYS A 60 7.146 -6.393 -12.695 1.00 73.43 H new ATOM 0 HB2 LYS A 60 8.740 -4.555 -12.351 1.00 41.10 H new ATOM 0 HB3 LYS A 60 8.206 -4.355 -10.694 1.00 41.10 H new ATOM 0 HG2 LYS A 60 10.318 -5.549 -10.723 1.00 50.41 H new ATOM 0 HG3 LYS A 60 9.058 -6.615 -10.137 1.00 50.41 H new ATOM 0 HD2 LYS A 60 10.409 -7.875 -11.678 1.00 22.31 H new ATOM 0 HD3 LYS A 60 8.862 -7.587 -12.450 1.00 22.31 H new ATOM 0 HE2 LYS A 60 9.806 -5.736 -13.757 1.00 14.30 H new ATOM 0 HE3 LYS A 60 11.336 -5.880 -12.915 1.00 14.30 H new ATOM 0 HZ1 LYS A 60 11.411 -6.959 -15.058 1.00 24.15 H new ATOM 0 HZ2 LYS A 60 11.595 -8.108 -13.821 1.00 24.15 H new ATOM 0 HZ3 LYS A 60 10.112 -7.969 -14.637 1.00 24.15 H new ATOM 963 N LYS A 61 5.973 -5.886 -9.637 1.00 65.55 N ATOM 964 CA LYS A 61 5.446 -6.566 -8.441 1.00 71.04 C ATOM 965 C LYS A 61 4.235 -7.426 -8.777 1.00 62.21 C ATOM 966 O LYS A 61 3.964 -8.434 -8.115 1.00 10.41 O ATOM 967 CB LYS A 61 5.081 -5.552 -7.360 1.00 24.33 C ATOM 968 CG LYS A 61 6.251 -4.716 -6.899 1.00 4.24 C ATOM 969 CD LYS A 61 5.846 -3.728 -5.826 1.00 51.00 C ATOM 970 CE LYS A 61 7.028 -2.878 -5.400 1.00 13.42 C ATOM 971 NZ LYS A 61 8.141 -3.693 -4.865 1.00 5.13 N ATOM 0 H LYS A 61 5.909 -4.869 -9.602 1.00 65.55 H new ATOM 0 HA LYS A 61 6.233 -7.219 -8.064 1.00 71.04 H new ATOM 0 HB2 LYS A 61 4.301 -4.893 -7.740 1.00 24.33 H new ATOM 0 HB3 LYS A 61 4.662 -6.081 -6.504 1.00 24.33 H new ATOM 0 HG2 LYS A 61 7.035 -5.368 -6.515 1.00 4.24 H new ATOM 0 HG3 LYS A 61 6.671 -4.178 -7.749 1.00 4.24 H new ATOM 0 HD2 LYS A 61 5.047 -3.087 -6.199 1.00 51.00 H new ATOM 0 HD3 LYS A 61 5.448 -4.264 -4.964 1.00 51.00 H new ATOM 0 HE2 LYS A 61 7.382 -2.298 -6.253 1.00 13.42 H new ATOM 0 HE3 LYS A 61 6.705 -2.165 -4.641 1.00 13.42 H new ATOM 0 HZ1 LYS A 61 8.835 -3.072 -4.403 1.00 5.13 H new ATOM 0 HZ2 LYS A 61 7.771 -4.374 -4.172 1.00 5.13 H new ATOM 0 HZ3 LYS A 61 8.600 -4.207 -5.644 1.00 5.13 H new ATOM 985 N SER A 62 3.522 -7.035 -9.803 1.00 63.44 N ATOM 986 CA SER A 62 2.370 -7.759 -10.247 1.00 51.42 C ATOM 987 C SER A 62 2.803 -9.006 -11.023 1.00 63.30 C ATOM 988 O SER A 62 2.316 -10.105 -10.773 1.00 35.13 O ATOM 989 CB SER A 62 1.499 -6.835 -11.087 1.00 32.30 C ATOM 990 OG SER A 62 1.146 -5.692 -10.316 1.00 1.34 O ATOM 0 H SER A 62 3.730 -6.201 -10.353 1.00 63.44 H new ATOM 0 HA SER A 62 1.782 -8.099 -9.394 1.00 51.42 H new ATOM 0 HB2 SER A 62 2.034 -6.530 -11.986 1.00 32.30 H new ATOM 0 HB3 SER A 62 0.601 -7.360 -11.413 1.00 32.30 H new ATOM 0 HG SER A 62 1.925 -5.104 -10.228 1.00 1.34 H new ATOM 996 N TRP A 63 3.771 -8.843 -11.913 1.00 61.52 N ATOM 997 CA TRP A 63 4.257 -9.943 -12.709 1.00 22.33 C ATOM 998 C TRP A 63 5.087 -10.900 -11.853 1.00 23.21 C ATOM 999 O TRP A 63 5.177 -12.088 -12.133 1.00 63.14 O ATOM 1000 CB TRP A 63 5.052 -9.425 -13.897 1.00 12.50 C ATOM 1001 CG TRP A 63 5.511 -10.496 -14.813 1.00 13.12 C ATOM 1002 CD1 TRP A 63 6.759 -10.995 -14.890 1.00 72.53 C ATOM 1003 CD2 TRP A 63 4.714 -11.220 -15.764 1.00 11.23 C ATOM 1004 NE1 TRP A 63 6.817 -11.972 -15.854 1.00 60.41 N ATOM 1005 CE2 TRP A 63 5.567 -12.134 -16.403 1.00 51.02 C ATOM 1006 CE3 TRP A 63 3.362 -11.176 -16.139 1.00 42.41 C ATOM 1007 CZ2 TRP A 63 5.117 -13.001 -17.400 1.00 2.32 C ATOM 1008 CZ3 TRP A 63 2.915 -12.039 -17.124 1.00 34.34 C ATOM 1009 CH2 TRP A 63 3.792 -12.941 -17.743 1.00 71.34 C ATOM 0 H TRP A 63 4.233 -7.952 -12.097 1.00 61.52 H new ATOM 0 HA TRP A 63 3.405 -10.502 -13.096 1.00 22.33 H new ATOM 0 HB2 TRP A 63 4.437 -8.719 -14.455 1.00 12.50 H new ATOM 0 HB3 TRP A 63 5.919 -8.874 -13.532 1.00 12.50 H new ATOM 0 HD1 TRP A 63 7.593 -10.674 -14.283 1.00 72.53 H new ATOM 0 HE1 TRP A 63 7.653 -12.493 -16.120 1.00 60.41 H new ATOM 0 HE3 TRP A 63 2.683 -10.481 -15.667 1.00 42.41 H new ATOM 0 HZ2 TRP A 63 5.789 -13.694 -17.884 1.00 2.32 H new ATOM 0 HZ3 TRP A 63 1.877 -12.017 -17.420 1.00 34.34 H new ATOM 0 HH2 TRP A 63 3.414 -13.604 -18.508 1.00 71.34 H new ATOM 1020 N LYS A 64 5.696 -10.371 -10.819 1.00 11.32 N ATOM 1021 CA LYS A 64 6.453 -11.173 -9.886 1.00 22.21 C ATOM 1022 C LYS A 64 5.561 -12.247 -9.262 1.00 43.30 C ATOM 1023 O LYS A 64 5.985 -13.382 -9.053 1.00 62.53 O ATOM 1024 CB LYS A 64 7.069 -10.292 -8.795 1.00 53.41 C ATOM 1025 CG LYS A 64 7.870 -11.062 -7.763 1.00 32.43 C ATOM 1026 CD LYS A 64 8.490 -10.145 -6.734 1.00 33.30 C ATOM 1027 CE LYS A 64 9.270 -10.939 -5.689 1.00 54.34 C ATOM 1028 NZ LYS A 64 10.360 -11.744 -6.291 1.00 72.10 N ATOM 0 H LYS A 64 5.681 -9.375 -10.600 1.00 11.32 H new ATOM 0 HA LYS A 64 7.261 -11.663 -10.429 1.00 22.21 H new ATOM 0 HB2 LYS A 64 7.716 -9.550 -9.263 1.00 53.41 H new ATOM 0 HB3 LYS A 64 6.272 -9.747 -8.289 1.00 53.41 H new ATOM 0 HG2 LYS A 64 7.222 -11.783 -7.264 1.00 32.43 H new ATOM 0 HG3 LYS A 64 8.654 -11.631 -8.262 1.00 32.43 H new ATOM 0 HD2 LYS A 64 9.155 -9.436 -7.228 1.00 33.30 H new ATOM 0 HD3 LYS A 64 7.710 -9.562 -6.245 1.00 33.30 H new ATOM 0 HE2 LYS A 64 9.692 -10.253 -4.955 1.00 54.34 H new ATOM 0 HE3 LYS A 64 8.587 -11.599 -5.153 1.00 54.34 H new ATOM 0 HZ1 LYS A 64 11.003 -12.073 -5.542 1.00 72.10 H new ATOM 0 HZ2 LYS A 64 9.954 -12.565 -6.784 1.00 72.10 H new ATOM 0 HZ3 LYS A 64 10.889 -11.160 -6.969 1.00 72.10 H new ATOM 1042 N ARG A 65 4.305 -11.891 -9.007 1.00 32.22 N ATOM 1043 CA ARG A 65 3.368 -12.819 -8.399 1.00 21.35 C ATOM 1044 C ARG A 65 2.983 -13.893 -9.434 1.00 22.22 C ATOM 1045 O ARG A 65 2.695 -15.041 -9.091 1.00 53.13 O ATOM 1046 CB ARG A 65 2.099 -12.088 -7.943 1.00 5.52 C ATOM 1047 CG ARG A 65 1.276 -12.879 -6.933 1.00 11.32 C ATOM 1048 CD ARG A 65 -0.066 -12.228 -6.613 1.00 4.44 C ATOM 1049 NE ARG A 65 0.025 -10.849 -6.103 1.00 53.43 N ATOM 1050 CZ ARG A 65 -1.035 -10.147 -5.647 1.00 24.02 C ATOM 1051 NH1 ARG A 65 -2.233 -10.729 -5.555 1.00 55.34 N ATOM 1052 NH2 ARG A 65 -0.885 -8.881 -5.269 1.00 1.24 N ATOM 0 H ARG A 65 3.918 -10.970 -9.212 1.00 32.22 H new ATOM 0 HA ARG A 65 3.841 -13.277 -7.530 1.00 21.35 H new ATOM 0 HB2 ARG A 65 2.378 -11.131 -7.503 1.00 5.52 H new ATOM 0 HB3 ARG A 65 1.481 -11.871 -8.814 1.00 5.52 H new ATOM 0 HG2 ARG A 65 1.103 -13.883 -7.321 1.00 11.32 H new ATOM 0 HG3 ARG A 65 1.849 -12.988 -6.012 1.00 11.32 H new ATOM 0 HD2 ARG A 65 -0.679 -12.228 -7.515 1.00 4.44 H new ATOM 0 HD3 ARG A 65 -0.585 -12.840 -5.875 1.00 4.44 H new ATOM 0 HE ARG A 65 0.940 -10.399 -6.094 1.00 53.43 H new ATOM 0 HH11 ARG A 65 -2.348 -11.705 -5.829 1.00 55.34 H new ATOM 0 HH12 ARG A 65 -3.033 -10.198 -5.210 1.00 55.34 H new ATOM 0 HH21 ARG A 65 0.032 -8.438 -5.323 1.00 1.24 H new ATOM 0 HH22 ARG A 65 -1.687 -8.353 -4.925 1.00 1.24 H new ATOM 1066 N TYR A 66 3.012 -13.489 -10.707 1.00 31.15 N ATOM 1067 CA TYR A 66 2.659 -14.344 -11.841 1.00 34.32 C ATOM 1068 C TYR A 66 3.670 -15.478 -11.920 1.00 4.41 C ATOM 1069 O TYR A 66 3.304 -16.646 -12.042 1.00 23.41 O ATOM 1070 CB TYR A 66 2.727 -13.498 -13.112 1.00 30.35 C ATOM 1071 CG TYR A 66 2.059 -14.085 -14.314 1.00 35.34 C ATOM 1072 CD1 TYR A 66 2.640 -15.096 -15.056 1.00 35.40 C ATOM 1073 CD2 TYR A 66 0.831 -13.606 -14.714 1.00 4.42 C ATOM 1074 CE1 TYR A 66 2.011 -15.612 -16.163 1.00 50.34 C ATOM 1075 CE2 TYR A 66 0.197 -14.108 -15.812 1.00 13.52 C ATOM 1076 CZ TYR A 66 0.784 -15.111 -16.542 1.00 71.13 C ATOM 1077 OH TYR A 66 0.138 -15.623 -17.656 1.00 11.41 O ATOM 0 H TYR A 66 3.285 -12.545 -10.981 1.00 31.15 H new ATOM 0 HA TYR A 66 1.657 -14.758 -11.726 1.00 34.32 H new ATOM 0 HB2 TYR A 66 2.276 -12.527 -12.906 1.00 30.35 H new ATOM 0 HB3 TYR A 66 3.775 -13.318 -13.352 1.00 30.35 H new ATOM 0 HD1 TYR A 66 3.603 -15.486 -14.761 1.00 35.40 H new ATOM 0 HD2 TYR A 66 0.361 -12.817 -14.146 1.00 4.42 H new ATOM 0 HE1 TYR A 66 2.474 -16.404 -16.732 1.00 50.34 H new ATOM 0 HE2 TYR A 66 -0.766 -13.717 -16.107 1.00 13.52 H new ATOM 0 HH TYR A 66 -0.716 -15.159 -17.781 1.00 11.41 H new ATOM 1087 N GLU A 67 4.944 -15.107 -11.824 1.00 62.12 N ATOM 1088 CA GLU A 67 6.071 -16.052 -11.785 1.00 3.43 C ATOM 1089 C GLU A 67 5.878 -17.004 -10.662 1.00 52.41 C ATOM 1090 O GLU A 67 6.041 -18.197 -10.825 1.00 43.34 O ATOM 1091 CB GLU A 67 7.355 -15.276 -11.572 1.00 53.34 C ATOM 1092 CG GLU A 67 7.627 -14.288 -12.666 1.00 3.30 C ATOM 1093 CD GLU A 67 8.027 -14.951 -13.965 1.00 63.55 C ATOM 1094 OE1 GLU A 67 7.172 -15.501 -14.677 1.00 43.01 O ATOM 1095 OE2 GLU A 67 9.237 -14.922 -14.294 1.00 35.14 O ATOM 0 H GLU A 67 5.233 -14.130 -11.770 1.00 62.12 H new ATOM 0 HA GLU A 67 6.123 -16.605 -12.723 1.00 3.43 H new ATOM 0 HB2 GLU A 67 7.302 -14.750 -10.619 1.00 53.34 H new ATOM 0 HB3 GLU A 67 8.189 -15.975 -11.504 1.00 53.34 H new ATOM 0 HG2 GLU A 67 6.737 -13.681 -12.832 1.00 3.30 H new ATOM 0 HG3 GLU A 67 8.420 -13.611 -12.349 1.00 3.30 H new ATOM 1102 N GLN A 68 5.508 -16.464 -9.530 1.00 75.42 N ATOM 1103 CA GLN A 68 5.239 -17.260 -8.343 1.00 51.41 C ATOM 1104 C GLN A 68 4.176 -18.328 -8.599 1.00 75.35 C ATOM 1105 O GLN A 68 4.348 -19.472 -8.194 1.00 23.33 O ATOM 1106 CB GLN A 68 4.852 -16.382 -7.172 1.00 32.20 C ATOM 1107 CG GLN A 68 5.970 -15.484 -6.690 1.00 13.44 C ATOM 1108 CD GLN A 68 5.524 -14.537 -5.610 1.00 53.33 C ATOM 1109 OE1 GLN A 68 4.608 -14.836 -4.839 1.00 11.55 O ATOM 1110 NE2 GLN A 68 6.161 -13.402 -5.540 1.00 4.22 N ATOM 0 H GLN A 68 5.382 -15.461 -9.397 1.00 75.42 H new ATOM 0 HA GLN A 68 6.164 -17.777 -8.089 1.00 51.41 H new ATOM 0 HB2 GLN A 68 4.000 -15.765 -7.458 1.00 32.20 H new ATOM 0 HB3 GLN A 68 4.525 -17.015 -6.347 1.00 32.20 H new ATOM 0 HG2 GLN A 68 6.789 -16.098 -6.315 1.00 13.44 H new ATOM 0 HG3 GLN A 68 6.361 -14.912 -7.532 1.00 13.44 H new ATOM 0 HE21 GLN A 68 6.912 -13.197 -6.199 1.00 4.22 H new ATOM 0 HE22 GLN A 68 5.908 -12.718 -4.826 1.00 4.22 H new ATOM 1119 N GLU A 69 3.084 -17.972 -9.284 1.00 54.45 N ATOM 1120 CA GLU A 69 2.073 -18.976 -9.581 1.00 71.05 C ATOM 1121 C GLU A 69 2.495 -19.935 -10.676 1.00 14.31 C ATOM 1122 O GLU A 69 2.139 -21.092 -10.634 1.00 1.12 O ATOM 1123 CB GLU A 69 0.665 -18.441 -9.835 1.00 2.41 C ATOM 1124 CG GLU A 69 0.026 -17.758 -8.644 1.00 24.44 C ATOM 1125 CD GLU A 69 -1.486 -17.734 -8.752 1.00 14.24 C ATOM 1126 OE1 GLU A 69 -2.050 -16.897 -9.487 1.00 63.14 O ATOM 1127 OE2 GLU A 69 -2.132 -18.593 -8.116 1.00 52.44 O ATOM 0 H GLU A 69 2.886 -17.033 -9.629 1.00 54.45 H new ATOM 0 HA GLU A 69 2.003 -19.532 -8.646 1.00 71.05 H new ATOM 0 HB2 GLU A 69 0.703 -17.735 -10.665 1.00 2.41 H new ATOM 0 HB3 GLU A 69 0.027 -19.268 -10.148 1.00 2.41 H new ATOM 0 HG2 GLU A 69 0.317 -18.275 -7.730 1.00 24.44 H new ATOM 0 HG3 GLU A 69 0.401 -16.737 -8.566 1.00 24.44 H new