USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 744 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 7 LYS NZ :NH3+ -137:sc= 0.166 (180deg=-0.63) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.00443 K(o=0.17,f=-8.3!) USER MOD Set 2.1: A 40 SER OG : rot -101:sc= 0.774 USER MOD Set 2.2: A 45 SER OG : rot -61:sc= 0.925 USER MOD Single : A 1 GLY N :NH3+ -129:sc= -0.1 (180deg=-1.39) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -127:sc= -2.53! USER MOD Single : A 9 SER OG : rot 99:sc= 1.4 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -2.37! C(o=-4.6!,f=-2.4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -179:sc=-0.00816 (180deg=-0.0103) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -156:sc= -0.241 (180deg=-1.03) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0185) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.118) USER MOD Single : A 28 SER OG : rot -101:sc= 0.423 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 0.169 (180deg=0.0243) USER MOD Single : A 49 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.22) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc=-0.00867 (180deg=-0.118) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.563 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= -0.0597 (180deg=-0.332) USER MOD Single : A 82 SER OG : rot -149:sc= -0.483 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -7.39! C(o=-7.4!,f=-9.7!) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.151 (180deg=-0.348) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.302 1.984 1.869 1.00 2.25 N ATOM 2 CA GLY A 1 0.186 1.778 0.438 1.00 15.53 C ATOM 3 C GLY A 1 0.113 3.082 -0.333 1.00 2.14 C ATOM 4 O GLY A 1 -0.925 3.441 -0.889 1.00 63.13 O ATOM 0 H1 GLY A 1 1.101 1.428 2.236 1.00 2.25 H new ATOM 0 H2 GLY A 1 0.464 2.993 2.062 1.00 2.25 H new ATOM 0 H3 GLY A 1 -0.576 1.679 2.336 1.00 2.25 H new ATOM 0 HA2 GLY A 1 1.041 1.200 0.087 1.00 15.53 H new ATOM 0 HA3 GLY A 1 -0.706 1.187 0.231 1.00 15.53 H new ATOM 8 N PRO A 2 1.235 3.815 -0.370 1.00 1.14 N ATOM 9 CA PRO A 2 1.320 5.098 -1.073 1.00 1.13 C ATOM 10 C PRO A 2 1.260 4.934 -2.587 1.00 60.42 C ATOM 11 O PRO A 2 2.258 4.593 -3.224 1.00 35.03 O ATOM 12 CB PRO A 2 2.684 5.647 -0.647 1.00 62.03 C ATOM 13 CG PRO A 2 3.485 4.441 -0.296 1.00 13.23 C ATOM 14 CD PRO A 2 2.509 3.448 0.273 1.00 55.14 C ATOM 0 HA PRO A 2 0.486 5.754 -0.826 1.00 1.13 H new ATOM 0 HB2 PRO A 2 3.152 6.213 -1.453 1.00 62.03 H new ATOM 0 HB3 PRO A 2 2.591 6.322 0.204 1.00 62.03 H new ATOM 0 HG2 PRO A 2 3.986 4.036 -1.175 1.00 13.23 H new ATOM 0 HG3 PRO A 2 4.261 4.685 0.429 1.00 13.23 H new ATOM 0 HD2 PRO A 2 2.796 2.423 0.039 1.00 55.14 H new ATOM 0 HD3 PRO A 2 2.447 3.522 1.359 1.00 55.14 H new ATOM 22 N SER A 3 0.086 5.179 -3.159 1.00 54.41 N ATOM 23 CA SER A 3 -0.103 5.055 -4.600 1.00 15.43 C ATOM 24 C SER A 3 0.190 6.378 -5.303 1.00 31.32 C ATOM 25 O SER A 3 0.302 7.422 -4.662 1.00 22.32 O ATOM 26 CB SER A 3 -1.533 4.606 -4.910 1.00 42.12 C ATOM 27 OG SER A 3 -1.649 4.167 -6.253 1.00 24.01 O ATOM 0 H SER A 3 -0.749 5.465 -2.647 1.00 54.41 H new ATOM 0 HA SER A 3 0.595 4.305 -4.970 1.00 15.43 H new ATOM 0 HB2 SER A 3 -1.819 3.800 -4.234 1.00 42.12 H new ATOM 0 HB3 SER A 3 -2.223 5.431 -4.733 1.00 42.12 H new ATOM 0 HG SER A 3 -2.571 3.884 -6.426 1.00 24.01 H new ATOM 33 N ASN A 4 0.313 6.323 -6.625 1.00 22.24 N ATOM 34 CA ASN A 4 0.594 7.515 -7.416 1.00 54.52 C ATOM 35 C ASN A 4 -0.652 8.385 -7.551 1.00 74.43 C ATOM 36 O ASN A 4 -0.560 9.598 -7.743 1.00 63.11 O ATOM 37 CB ASN A 4 1.109 7.123 -8.802 1.00 32.03 C ATOM 38 CG ASN A 4 2.565 6.702 -8.780 1.00 24.24 C ATOM 39 OD1 ASN A 4 3.466 7.537 -8.857 1.00 11.14 O ATOM 40 ND2 ASN A 4 2.802 5.399 -8.675 1.00 31.12 N ATOM 0 H ASN A 4 0.223 5.466 -7.171 1.00 22.24 H new ATOM 0 HA ASN A 4 1.362 8.090 -6.900 1.00 54.52 H new ATOM 0 HB2 ASN A 4 0.503 6.306 -9.194 1.00 32.03 H new ATOM 0 HB3 ASN A 4 0.987 7.965 -9.483 1.00 32.03 H new ATOM 0 HD21 ASN A 4 3.762 5.055 -8.656 1.00 31.12 H new ATOM 0 HD22 ASN A 4 2.024 4.742 -8.614 1.00 31.12 H new ATOM 47 N LYS A 5 -1.819 7.757 -7.449 1.00 41.30 N ATOM 48 CA LYS A 5 -3.085 8.472 -7.557 1.00 60.34 C ATOM 49 C LYS A 5 -4.059 8.022 -6.472 1.00 42.24 C ATOM 50 O LYS A 5 -3.907 6.943 -5.899 1.00 13.33 O ATOM 51 CB LYS A 5 -3.705 8.247 -8.939 1.00 23.21 C ATOM 52 CG LYS A 5 -3.238 6.968 -9.613 1.00 51.34 C ATOM 53 CD LYS A 5 -3.865 6.803 -10.988 1.00 64.11 C ATOM 54 CE LYS A 5 -3.133 7.628 -12.037 1.00 34.22 C ATOM 55 NZ LYS A 5 -3.774 7.516 -13.376 1.00 31.33 N ATOM 0 H LYS A 5 -1.914 6.754 -7.292 1.00 41.30 H new ATOM 0 HA LYS A 5 -2.886 9.535 -7.423 1.00 60.34 H new ATOM 0 HB2 LYS A 5 -4.790 8.221 -8.841 1.00 23.21 H new ATOM 0 HB3 LYS A 5 -3.463 9.095 -9.579 1.00 23.21 H new ATOM 0 HG2 LYS A 5 -2.152 6.980 -9.706 1.00 51.34 H new ATOM 0 HG3 LYS A 5 -3.495 6.112 -8.989 1.00 51.34 H new ATOM 0 HD2 LYS A 5 -3.847 5.751 -11.273 1.00 64.11 H new ATOM 0 HD3 LYS A 5 -4.911 7.106 -10.951 1.00 64.11 H new ATOM 0 HE2 LYS A 5 -3.115 8.673 -11.729 1.00 34.22 H new ATOM 0 HE3 LYS A 5 -2.097 7.297 -12.102 1.00 34.22 H new ATOM 0 HZ1 LYS A 5 -3.246 8.092 -14.063 1.00 31.33 H new ATOM 0 HZ2 LYS A 5 -3.769 6.522 -13.681 1.00 31.33 H new ATOM 0 HZ3 LYS A 5 -4.755 7.856 -13.321 1.00 31.33 H new ATOM 69 N ILE A 6 -5.058 8.854 -6.198 1.00 63.42 N ATOM 70 CA ILE A 6 -6.056 8.540 -5.185 1.00 71.41 C ATOM 71 C ILE A 6 -7.404 9.164 -5.529 1.00 31.02 C ATOM 72 O ILE A 6 -7.470 10.208 -6.179 1.00 33.35 O ATOM 73 CB ILE A 6 -5.617 9.028 -3.792 1.00 15.51 C ATOM 74 CG1 ILE A 6 -5.383 10.540 -3.808 1.00 35.25 C ATOM 75 CG2 ILE A 6 -4.361 8.296 -3.346 1.00 35.14 C ATOM 76 CD1 ILE A 6 -5.688 11.213 -2.489 1.00 32.25 C ATOM 0 H ILE A 6 -5.197 9.751 -6.664 1.00 63.42 H new ATOM 0 HA ILE A 6 -6.155 7.455 -5.166 1.00 71.41 H new ATOM 0 HB ILE A 6 -6.412 8.810 -3.079 1.00 15.51 H new ATOM 0 HG12 ILE A 6 -4.344 10.736 -4.075 1.00 35.25 H new ATOM 0 HG13 ILE A 6 -6.002 10.987 -4.586 1.00 35.25 H new ATOM 0 HG21 ILE A 6 -4.063 8.652 -2.360 1.00 35.14 H new ATOM 0 HG22 ILE A 6 -4.561 7.225 -3.300 1.00 35.14 H new ATOM 0 HG23 ILE A 6 -3.557 8.485 -4.058 1.00 35.14 H new ATOM 0 HD11 ILE A 6 -5.499 12.283 -2.574 1.00 32.25 H new ATOM 0 HD12 ILE A 6 -6.734 11.048 -2.230 1.00 32.25 H new ATOM 0 HD13 ILE A 6 -5.051 10.793 -1.711 1.00 32.25 H new ATOM 88 N LYS A 7 -8.479 8.520 -5.088 1.00 32.35 N ATOM 89 CA LYS A 7 -9.827 9.012 -5.346 1.00 32.04 C ATOM 90 C LYS A 7 -10.130 10.239 -4.492 1.00 53.11 C ATOM 91 O LYS A 7 -9.684 10.337 -3.348 1.00 52.21 O ATOM 92 CB LYS A 7 -10.856 7.915 -5.063 1.00 20.11 C ATOM 93 CG LYS A 7 -11.695 7.542 -6.273 1.00 73.01 C ATOM 94 CD LYS A 7 -13.077 7.061 -5.866 1.00 53.20 C ATOM 95 CE LYS A 7 -14.161 8.028 -6.320 1.00 42.24 C ATOM 96 NZ LYS A 7 -14.394 7.947 -7.790 1.00 12.12 N ATOM 0 H LYS A 7 -8.443 7.655 -4.549 1.00 32.35 H new ATOM 0 HA LYS A 7 -9.888 9.297 -6.396 1.00 32.04 H new ATOM 0 HB2 LYS A 7 -10.338 7.026 -4.703 1.00 20.11 H new ATOM 0 HB3 LYS A 7 -11.516 8.246 -4.261 1.00 20.11 H new ATOM 0 HG2 LYS A 7 -11.789 8.405 -6.932 1.00 73.01 H new ATOM 0 HG3 LYS A 7 -11.189 6.761 -6.841 1.00 73.01 H new ATOM 0 HD2 LYS A 7 -13.262 6.077 -6.297 1.00 53.20 H new ATOM 0 HD3 LYS A 7 -13.119 6.948 -4.783 1.00 53.20 H new ATOM 0 HE2 LYS A 7 -15.089 7.808 -5.792 1.00 42.24 H new ATOM 0 HE3 LYS A 7 -13.876 9.045 -6.053 1.00 42.24 H new ATOM 0 HZ1 LYS A 7 -14.490 8.906 -8.180 1.00 12.12 H new ATOM 0 HZ2 LYS A 7 -13.589 7.469 -8.243 1.00 12.12 H new ATOM 0 HZ3 LYS A 7 -15.265 7.409 -7.974 1.00 12.12 H new ATOM 110 N CYS A 8 -10.892 11.172 -5.054 1.00 62.21 N ATOM 111 CA CYS A 8 -11.256 12.393 -4.343 1.00 63.24 C ATOM 112 C CYS A 8 -12.207 13.244 -5.177 1.00 75.23 C ATOM 113 O CYS A 8 -12.294 13.084 -6.394 1.00 42.24 O ATOM 114 CB CYS A 8 -10.002 13.198 -3.998 1.00 34.45 C ATOM 115 SG CYS A 8 -9.058 13.750 -5.437 1.00 11.25 S ATOM 0 H CYS A 8 -11.269 11.106 -5.999 1.00 62.21 H new ATOM 0 HA CYS A 8 -11.764 12.111 -3.421 1.00 63.24 H new ATOM 0 HB2 CYS A 8 -10.293 14.070 -3.412 1.00 34.45 H new ATOM 0 HB3 CYS A 8 -9.356 12.590 -3.365 1.00 34.45 H new ATOM 0 HG CYS A 8 -7.817 13.387 -5.307 1.00 11.25 H new ATOM 121 N SER A 9 -12.921 14.147 -4.513 1.00 74.13 N ATOM 122 CA SER A 9 -13.872 15.020 -5.192 1.00 61.23 C ATOM 123 C SER A 9 -13.497 16.486 -4.999 1.00 43.21 C ATOM 124 O SER A 9 -12.403 16.802 -4.529 1.00 3.34 O ATOM 125 CB SER A 9 -15.287 14.771 -4.670 1.00 55.11 C ATOM 126 OG SER A 9 -15.615 13.393 -4.720 1.00 23.10 O ATOM 0 H SER A 9 -12.859 14.293 -3.505 1.00 74.13 H new ATOM 0 HA SER A 9 -13.840 14.792 -6.257 1.00 61.23 H new ATOM 0 HB2 SER A 9 -15.368 15.130 -3.644 1.00 55.11 H new ATOM 0 HB3 SER A 9 -16.002 15.340 -5.264 1.00 55.11 H new ATOM 0 HG SER A 9 -15.496 12.996 -3.832 1.00 23.10 H new ATOM 132 N HIS A 10 -14.411 17.378 -5.366 1.00 34.20 N ATOM 133 CA HIS A 10 -14.178 18.811 -5.232 1.00 75.03 C ATOM 134 C HIS A 10 -15.454 19.598 -5.517 1.00 0.40 C ATOM 135 O HIS A 10 -16.276 19.191 -6.338 1.00 60.42 O ATOM 136 CB HIS A 10 -13.067 19.259 -6.182 1.00 75.03 C ATOM 137 CG HIS A 10 -13.425 19.120 -7.630 1.00 43.35 C ATOM 138 ND1 HIS A 10 -13.648 18.018 -8.385 1.00 14.22 N flip ATOM 139 CD2 HIS A 10 -13.589 20.199 -8.472 1.00 43.51 C flip ATOM 140 CE1 HIS A 10 -13.942 18.449 -9.656 1.00 32.31 C flip ATOM 141 NE2 HIS A 10 -13.900 19.769 -9.682 1.00 23.14 N flip ATOM 0 H HIS A 10 -15.320 17.134 -5.759 1.00 34.20 H new ATOM 0 HA HIS A 10 -13.871 19.010 -4.205 1.00 75.03 H new ATOM 0 HB2 HIS A 10 -12.822 20.301 -5.975 1.00 75.03 H new ATOM 0 HB3 HIS A 10 -12.170 18.674 -5.980 1.00 75.03 H new ATOM 0 HD2 HIS A 10 -13.480 21.235 -8.187 1.00 43.51 H new ATOM 0 HE1 HIS A 10 -14.170 17.812 -10.498 1.00 32.31 H new ATOM 0 HE2 HIS A 10 -14.077 20.356 -10.497 1.00 23.14 H new ATOM 149 N ILE A 11 -15.614 20.725 -4.831 1.00 42.25 N ATOM 150 CA ILE A 11 -16.789 21.569 -5.011 1.00 32.40 C ATOM 151 C ILE A 11 -16.434 23.045 -4.862 1.00 75.35 C ATOM 152 O ILE A 11 -15.891 23.463 -3.841 1.00 3.22 O ATOM 153 CB ILE A 11 -17.895 21.213 -4.001 1.00 14.22 C ATOM 154 CG1 ILE A 11 -18.403 19.790 -4.245 1.00 44.51 C ATOM 155 CG2 ILE A 11 -19.039 22.213 -4.094 1.00 71.22 C ATOM 156 CD1 ILE A 11 -19.358 19.298 -3.180 1.00 55.35 C ATOM 0 H ILE A 11 -14.945 21.075 -4.145 1.00 42.25 H new ATOM 0 HA ILE A 11 -17.158 21.388 -6.021 1.00 32.40 H new ATOM 0 HB ILE A 11 -17.476 21.261 -2.996 1.00 14.22 H new ATOM 0 HG12 ILE A 11 -18.901 19.752 -5.214 1.00 44.51 H new ATOM 0 HG13 ILE A 11 -17.551 19.113 -4.298 1.00 44.51 H new ATOM 0 HG21 ILE A 11 -19.813 21.948 -3.374 1.00 71.22 H new ATOM 0 HG22 ILE A 11 -18.666 23.214 -3.875 1.00 71.22 H new ATOM 0 HG23 ILE A 11 -19.458 22.194 -5.100 1.00 71.22 H new ATOM 0 HD11 ILE A 11 -19.677 18.283 -3.418 1.00 55.35 H new ATOM 0 HD12 ILE A 11 -18.857 19.303 -2.212 1.00 55.35 H new ATOM 0 HD13 ILE A 11 -20.229 19.952 -3.142 1.00 55.35 H new ATOM 168 N LEU A 12 -16.749 23.828 -5.888 1.00 33.03 N ATOM 169 CA LEU A 12 -16.466 25.259 -5.872 1.00 53.51 C ATOM 170 C LEU A 12 -17.732 26.061 -5.588 1.00 53.41 C ATOM 171 O LEU A 12 -18.787 25.803 -6.168 1.00 42.31 O ATOM 172 CB LEU A 12 -15.861 25.694 -7.208 1.00 14.34 C ATOM 173 CG LEU A 12 -14.338 25.627 -7.309 1.00 23.11 C ATOM 174 CD1 LEU A 12 -13.692 26.497 -6.242 1.00 13.14 C ATOM 175 CD2 LEU A 12 -13.859 24.188 -7.187 1.00 24.42 C ATOM 0 H LEU A 12 -17.200 23.497 -6.741 1.00 33.03 H new ATOM 0 HA LEU A 12 -15.748 25.454 -5.075 1.00 53.51 H new ATOM 0 HB2 LEU A 12 -16.285 25.071 -7.996 1.00 14.34 H new ATOM 0 HB3 LEU A 12 -16.174 26.719 -7.409 1.00 14.34 H new ATOM 0 HG LEU A 12 -14.041 26.007 -8.287 1.00 23.11 H new ATOM 0 HD11 LEU A 12 -12.607 26.436 -6.330 1.00 13.14 H new ATOM 0 HD12 LEU A 12 -14.009 27.531 -6.375 1.00 13.14 H new ATOM 0 HD13 LEU A 12 -13.996 26.148 -5.255 1.00 13.14 H new ATOM 0 HD21 LEU A 12 -12.772 24.159 -7.261 1.00 24.42 H new ATOM 0 HD22 LEU A 12 -14.168 23.782 -6.224 1.00 24.42 H new ATOM 0 HD23 LEU A 12 -14.293 23.591 -7.989 1.00 24.42 H new ATOM 187 N VAL A 13 -17.620 27.037 -4.692 1.00 51.55 N ATOM 188 CA VAL A 13 -18.754 27.880 -4.334 1.00 73.34 C ATOM 189 C VAL A 13 -18.370 29.355 -4.352 1.00 52.21 C ATOM 190 O VAL A 13 -17.255 29.713 -4.730 1.00 74.22 O ATOM 191 CB VAL A 13 -19.302 27.520 -2.940 1.00 52.52 C ATOM 192 CG1 VAL A 13 -19.758 26.070 -2.904 1.00 64.42 C ATOM 193 CG2 VAL A 13 -18.254 27.786 -1.871 1.00 72.14 C ATOM 0 H VAL A 13 -16.755 27.263 -4.201 1.00 51.55 H new ATOM 0 HA VAL A 13 -19.529 27.701 -5.079 1.00 73.34 H new ATOM 0 HB VAL A 13 -20.166 28.152 -2.733 1.00 52.52 H new ATOM 0 HG11 VAL A 13 -20.142 25.834 -1.912 1.00 64.42 H new ATOM 0 HG12 VAL A 13 -20.544 25.917 -3.643 1.00 64.42 H new ATOM 0 HG13 VAL A 13 -18.915 25.418 -3.132 1.00 64.42 H new ATOM 0 HG21 VAL A 13 -18.658 27.526 -0.893 1.00 72.14 H new ATOM 0 HG22 VAL A 13 -17.369 27.181 -2.070 1.00 72.14 H new ATOM 0 HG23 VAL A 13 -17.982 28.842 -1.883 1.00 72.14 H new ATOM 203 N SER A 14 -19.302 30.209 -3.940 1.00 75.31 N ATOM 204 CA SER A 14 -19.063 31.647 -3.911 1.00 1.31 C ATOM 205 C SER A 14 -18.940 32.149 -2.476 1.00 13.30 C ATOM 206 O SER A 14 -18.338 33.191 -2.219 1.00 2.31 O ATOM 207 CB SER A 14 -20.194 32.387 -4.628 1.00 2.50 C ATOM 208 OG SER A 14 -20.101 33.786 -4.418 1.00 23.32 O ATOM 0 H SER A 14 -20.230 29.929 -3.622 1.00 75.31 H new ATOM 0 HA SER A 14 -18.124 31.845 -4.427 1.00 1.31 H new ATOM 0 HB2 SER A 14 -20.153 32.173 -5.696 1.00 2.50 H new ATOM 0 HB3 SER A 14 -21.156 32.025 -4.267 1.00 2.50 H new ATOM 0 HG SER A 14 -20.834 34.237 -4.887 1.00 23.32 H new ATOM 214 N LYS A 15 -19.518 31.399 -1.542 1.00 40.42 N ATOM 215 CA LYS A 15 -19.474 31.765 -0.132 1.00 14.43 C ATOM 216 C LYS A 15 -19.153 30.551 0.735 1.00 14.51 C ATOM 217 O LYS A 15 -19.530 29.428 0.407 1.00 33.42 O ATOM 218 CB LYS A 15 -20.810 32.375 0.300 1.00 61.14 C ATOM 219 CG LYS A 15 -22.020 31.613 -0.213 1.00 2.30 C ATOM 220 CD LYS A 15 -23.313 32.174 0.356 1.00 33.23 C ATOM 221 CE LYS A 15 -24.162 31.082 0.989 1.00 60.21 C ATOM 222 NZ LYS A 15 -25.058 31.619 2.050 1.00 41.55 N ATOM 0 H LYS A 15 -20.022 30.534 -1.737 1.00 40.42 H new ATOM 0 HA LYS A 15 -18.684 32.504 0.002 1.00 14.43 H new ATOM 0 HB2 LYS A 15 -20.848 32.411 1.389 1.00 61.14 H new ATOM 0 HB3 LYS A 15 -20.862 33.404 -0.055 1.00 61.14 H new ATOM 0 HG2 LYS A 15 -22.048 31.663 -1.301 1.00 2.30 H new ATOM 0 HG3 LYS A 15 -21.929 30.560 0.056 1.00 2.30 H new ATOM 0 HD2 LYS A 15 -23.084 32.936 1.101 1.00 33.23 H new ATOM 0 HD3 LYS A 15 -23.879 32.663 -0.437 1.00 33.23 H new ATOM 0 HE2 LYS A 15 -24.762 30.597 0.219 1.00 60.21 H new ATOM 0 HE3 LYS A 15 -23.512 30.318 1.415 1.00 60.21 H new ATOM 0 HZ1 LYS A 15 -25.607 30.841 2.468 1.00 41.55 H new ATOM 0 HZ2 LYS A 15 -24.486 32.075 2.789 1.00 41.55 H new ATOM 0 HZ3 LYS A 15 -25.708 32.317 1.635 1.00 41.55 H new ATOM 236 N GLN A 16 -18.457 30.789 1.842 1.00 24.00 N ATOM 237 CA GLN A 16 -18.087 29.714 2.755 1.00 21.02 C ATOM 238 C GLN A 16 -19.327 29.039 3.332 1.00 63.23 C ATOM 239 O GLN A 16 -19.288 27.868 3.709 1.00 34.23 O ATOM 240 CB GLN A 16 -17.215 30.258 3.889 1.00 63.45 C ATOM 241 CG GLN A 16 -17.792 31.492 4.563 1.00 22.10 C ATOM 242 CD GLN A 16 -17.403 31.594 6.025 1.00 73.31 C ATOM 243 OE1 GLN A 16 -17.866 30.815 6.859 1.00 52.51 O ATOM 244 NE2 GLN A 16 -16.546 32.557 6.344 1.00 55.41 N ATOM 0 H GLN A 16 -18.138 31.715 2.128 1.00 24.00 H new ATOM 0 HA GLN A 16 -17.520 28.972 2.192 1.00 21.02 H new ATOM 0 HB2 GLN A 16 -17.077 29.477 4.637 1.00 63.45 H new ATOM 0 HB3 GLN A 16 -16.228 30.498 3.494 1.00 63.45 H new ATOM 0 HG2 GLN A 16 -17.449 32.383 4.037 1.00 22.10 H new ATOM 0 HG3 GLN A 16 -18.879 31.472 4.481 1.00 22.10 H new ATOM 0 HE21 GLN A 16 -16.187 33.180 5.621 1.00 55.41 H new ATOM 0 HE22 GLN A 16 -16.247 32.673 7.312 1.00 55.41 H new ATOM 253 N SER A 17 -20.424 29.784 3.396 1.00 32.02 N ATOM 254 CA SER A 17 -21.676 29.258 3.931 1.00 63.32 C ATOM 255 C SER A 17 -22.140 28.045 3.132 1.00 52.15 C ATOM 256 O SER A 17 -22.924 27.231 3.618 1.00 53.42 O ATOM 257 CB SER A 17 -22.757 30.340 3.913 1.00 74.41 C ATOM 258 OG SER A 17 -22.753 31.086 5.117 1.00 11.14 O ATOM 0 H SER A 17 -20.473 30.754 3.084 1.00 32.02 H new ATOM 0 HA SER A 17 -21.501 28.947 4.961 1.00 63.32 H new ATOM 0 HB2 SER A 17 -22.593 31.008 3.067 1.00 74.41 H new ATOM 0 HB3 SER A 17 -23.735 29.879 3.770 1.00 74.41 H new ATOM 0 HG SER A 17 -23.452 31.772 5.079 1.00 11.14 H new ATOM 264 N GLU A 18 -21.649 27.931 1.901 1.00 2.32 N ATOM 265 CA GLU A 18 -22.014 26.817 1.033 1.00 12.42 C ATOM 266 C GLU A 18 -20.932 25.743 1.043 1.00 62.25 C ATOM 267 O GLU A 18 -21.223 24.555 1.184 1.00 63.05 O ATOM 268 CB GLU A 18 -22.246 27.311 -0.397 1.00 24.03 C ATOM 269 CG GLU A 18 -23.548 28.073 -0.574 1.00 1.32 C ATOM 270 CD GLU A 18 -24.713 27.166 -0.914 1.00 71.13 C ATOM 271 OE1 GLU A 18 -24.975 26.220 -0.143 1.00 35.12 O ATOM 272 OE2 GLU A 18 -25.364 27.402 -1.954 1.00 0.30 O ATOM 0 H GLU A 18 -20.998 28.596 1.483 1.00 2.32 H new ATOM 0 HA GLU A 18 -22.938 26.381 1.413 1.00 12.42 H new ATOM 0 HB2 GLU A 18 -21.416 27.954 -0.689 1.00 24.03 H new ATOM 0 HB3 GLU A 18 -22.240 26.456 -1.073 1.00 24.03 H new ATOM 0 HG2 GLU A 18 -23.773 28.619 0.342 1.00 1.32 H new ATOM 0 HG3 GLU A 18 -23.426 28.814 -1.364 1.00 1.32 H new ATOM 279 N ALA A 19 -19.682 26.168 0.892 1.00 23.21 N ATOM 280 CA ALA A 19 -18.555 25.243 0.884 1.00 12.42 C ATOM 281 C ALA A 19 -18.437 24.512 2.218 1.00 61.24 C ATOM 282 O ALA A 19 -18.291 23.289 2.255 1.00 33.13 O ATOM 283 CB ALA A 19 -17.264 25.986 0.572 1.00 54.14 C ATOM 0 H ALA A 19 -19.424 27.148 0.773 1.00 23.21 H new ATOM 0 HA ALA A 19 -18.731 24.501 0.106 1.00 12.42 H new ATOM 0 HB1 ALA A 19 -16.431 25.283 0.569 1.00 54.14 H new ATOM 0 HB2 ALA A 19 -17.343 26.458 -0.407 1.00 54.14 H new ATOM 0 HB3 ALA A 19 -17.092 26.750 1.330 1.00 54.14 H new ATOM 289 N LEU A 20 -18.499 25.266 3.309 1.00 23.00 N ATOM 290 CA LEU A 20 -18.398 24.689 4.645 1.00 75.02 C ATOM 291 C LEU A 20 -19.622 23.838 4.964 1.00 15.24 C ATOM 292 O LEU A 20 -19.630 23.083 5.936 1.00 74.03 O ATOM 293 CB LEU A 20 -18.247 25.796 5.690 1.00 64.23 C ATOM 294 CG LEU A 20 -17.528 25.406 6.982 1.00 63.31 C ATOM 295 CD1 LEU A 20 -16.797 26.603 7.569 1.00 34.24 C ATOM 296 CD2 LEU A 20 -18.515 24.833 7.989 1.00 1.11 C ATOM 0 H LEU A 20 -18.619 26.279 3.295 1.00 23.00 H new ATOM 0 HA LEU A 20 -17.516 24.049 4.672 1.00 75.02 H new ATOM 0 HB2 LEU A 20 -17.708 26.627 5.235 1.00 64.23 H new ATOM 0 HB3 LEU A 20 -19.241 26.163 5.947 1.00 64.23 H new ATOM 0 HG LEU A 20 -16.792 24.637 6.748 1.00 63.31 H new ATOM 0 HD11 LEU A 20 -16.292 26.306 8.488 1.00 34.24 H new ATOM 0 HD12 LEU A 20 -16.062 26.968 6.852 1.00 34.24 H new ATOM 0 HD13 LEU A 20 -17.513 27.395 7.789 1.00 34.24 H new ATOM 0 HD21 LEU A 20 -17.986 24.561 8.902 1.00 1.11 H new ATOM 0 HD22 LEU A 20 -19.275 25.580 8.219 1.00 1.11 H new ATOM 0 HD23 LEU A 20 -18.991 23.948 7.568 1.00 1.11 H new ATOM 308 N ALA A 21 -20.656 23.963 4.137 1.00 1.42 N ATOM 309 CA ALA A 21 -21.884 23.202 4.329 1.00 20.03 C ATOM 310 C ALA A 21 -21.716 21.761 3.859 1.00 71.32 C ATOM 311 O ALA A 21 -22.598 20.926 4.060 1.00 74.43 O ATOM 312 CB ALA A 21 -23.037 23.867 3.594 1.00 54.31 C ATOM 0 H ALA A 21 -20.667 24.584 3.328 1.00 1.42 H new ATOM 0 HA ALA A 21 -22.109 23.185 5.395 1.00 20.03 H new ATOM 0 HB1 ALA A 21 -23.948 23.288 3.746 1.00 54.31 H new ATOM 0 HB2 ALA A 21 -23.180 24.876 3.979 1.00 54.31 H new ATOM 0 HB3 ALA A 21 -22.811 23.914 2.529 1.00 54.31 H new ATOM 318 N ILE A 22 -20.580 21.477 3.232 1.00 21.11 N ATOM 319 CA ILE A 22 -20.297 20.137 2.734 1.00 33.21 C ATOM 320 C ILE A 22 -19.857 19.211 3.864 1.00 2.23 C ATOM 321 O ILE A 22 -19.933 17.989 3.744 1.00 62.12 O ATOM 322 CB ILE A 22 -19.204 20.158 1.649 1.00 33.32 C ATOM 323 CG1 ILE A 22 -19.612 21.085 0.502 1.00 75.25 C ATOM 324 CG2 ILE A 22 -18.943 18.751 1.133 1.00 63.15 C ATOM 325 CD1 ILE A 22 -20.924 20.700 -0.149 1.00 23.12 C ATOM 0 H ILE A 22 -19.840 22.157 3.057 1.00 21.11 H new ATOM 0 HA ILE A 22 -21.223 19.761 2.299 1.00 33.21 H new ATOM 0 HB ILE A 22 -18.282 20.539 2.089 1.00 33.32 H new ATOM 0 HG12 ILE A 22 -19.688 22.105 0.879 1.00 75.25 H new ATOM 0 HG13 ILE A 22 -18.826 21.083 -0.253 1.00 75.25 H new ATOM 0 HG21 ILE A 22 -18.168 18.782 0.367 1.00 63.15 H new ATOM 0 HG22 ILE A 22 -18.614 18.117 1.956 1.00 63.15 H new ATOM 0 HG23 ILE A 22 -19.860 18.344 0.706 1.00 63.15 H new ATOM 0 HD11 ILE A 22 -21.150 21.400 -0.953 1.00 23.12 H new ATOM 0 HD12 ILE A 22 -20.846 19.692 -0.557 1.00 23.12 H new ATOM 0 HD13 ILE A 22 -21.721 20.730 0.594 1.00 23.12 H new ATOM 337 N MET A 23 -19.399 19.804 4.962 1.00 24.21 N ATOM 338 CA MET A 23 -18.950 19.033 6.115 1.00 73.23 C ATOM 339 C MET A 23 -20.020 19.006 7.202 1.00 51.13 C ATOM 340 O MET A 23 -19.829 18.405 8.259 1.00 43.51 O ATOM 341 CB MET A 23 -17.653 19.620 6.675 1.00 44.54 C ATOM 342 CG MET A 23 -17.714 21.122 6.900 1.00 61.25 C ATOM 343 SD MET A 23 -16.204 21.775 7.638 1.00 24.23 S ATOM 344 CE MET A 23 -16.101 20.787 9.129 1.00 41.32 C ATOM 0 H MET A 23 -19.329 20.815 5.077 1.00 24.21 H new ATOM 0 HA MET A 23 -18.765 18.010 5.786 1.00 73.23 H new ATOM 0 HB2 MET A 23 -17.419 19.128 7.619 1.00 44.54 H new ATOM 0 HB3 MET A 23 -16.836 19.396 5.989 1.00 44.54 H new ATOM 0 HG2 MET A 23 -17.894 21.621 5.948 1.00 61.25 H new ATOM 0 HG3 MET A 23 -18.560 21.355 7.547 1.00 61.25 H new ATOM 0 HE1 MET A 23 -15.514 21.319 9.878 1.00 41.32 H new ATOM 0 HE2 MET A 23 -17.104 20.606 9.515 1.00 41.32 H new ATOM 0 HE3 MET A 23 -15.622 19.835 8.902 1.00 41.32 H new ATOM 354 N GLU A 24 -21.146 19.661 6.933 1.00 12.54 N ATOM 355 CA GLU A 24 -22.245 19.713 7.891 1.00 73.43 C ATOM 356 C GLU A 24 -23.508 19.091 7.302 1.00 53.55 C ATOM 357 O GLU A 24 -24.325 18.516 8.021 1.00 63.31 O ATOM 358 CB GLU A 24 -22.522 21.160 8.306 1.00 23.21 C ATOM 359 CG GLU A 24 -23.330 21.942 7.284 1.00 4.12 C ATOM 360 CD GLU A 24 -24.826 21.794 7.487 1.00 44.33 C ATOM 361 OE1 GLU A 24 -25.228 21.057 8.411 1.00 12.50 O ATOM 362 OE2 GLU A 24 -25.592 22.414 6.721 1.00 35.03 O ATOM 0 H GLU A 24 -21.321 20.162 6.062 1.00 12.54 H new ATOM 0 HA GLU A 24 -21.954 19.140 8.771 1.00 73.43 H new ATOM 0 HB2 GLU A 24 -23.056 21.161 9.256 1.00 23.21 H new ATOM 0 HB3 GLU A 24 -21.573 21.669 8.473 1.00 23.21 H new ATOM 0 HG2 GLU A 24 -23.061 22.997 7.344 1.00 4.12 H new ATOM 0 HG3 GLU A 24 -23.068 21.603 6.282 1.00 4.12 H new ATOM 369 N LYS A 25 -23.663 19.212 5.987 1.00 12.40 N ATOM 370 CA LYS A 25 -24.824 18.662 5.299 1.00 34.01 C ATOM 371 C LYS A 25 -24.847 17.140 5.399 1.00 1.20 C ATOM 372 O LYS A 25 -25.821 16.553 5.871 1.00 64.45 O ATOM 373 CB LYS A 25 -24.821 19.088 3.829 1.00 15.41 C ATOM 374 CG LYS A 25 -26.014 18.570 3.044 1.00 53.15 C ATOM 375 CD LYS A 25 -27.326 19.048 3.642 1.00 0.24 C ATOM 376 CE LYS A 25 -28.434 19.084 2.600 1.00 3.51 C ATOM 377 NZ LYS A 25 -28.309 20.263 1.699 1.00 60.33 N ATOM 0 H LYS A 25 -22.998 19.687 5.377 1.00 12.40 H new ATOM 0 HA LYS A 25 -25.719 19.053 5.782 1.00 34.01 H new ATOM 0 HB2 LYS A 25 -24.806 20.177 3.775 1.00 15.41 H new ATOM 0 HB3 LYS A 25 -23.905 18.732 3.358 1.00 15.41 H new ATOM 0 HG2 LYS A 25 -25.942 18.904 2.009 1.00 53.15 H new ATOM 0 HG3 LYS A 25 -25.996 17.480 3.029 1.00 53.15 H new ATOM 0 HD2 LYS A 25 -27.616 18.388 4.460 1.00 0.24 H new ATOM 0 HD3 LYS A 25 -27.192 20.043 4.067 1.00 0.24 H new ATOM 0 HE2 LYS A 25 -28.405 18.169 2.008 1.00 3.51 H new ATOM 0 HE3 LYS A 25 -29.402 19.110 3.100 1.00 3.51 H new ATOM 0 HZ1 LYS A 25 -29.144 20.318 1.081 1.00 60.33 H new ATOM 0 HZ2 LYS A 25 -28.242 21.130 2.269 1.00 60.33 H new ATOM 0 HZ3 LYS A 25 -27.453 20.165 1.116 1.00 60.33 H new ATOM 391 N LEU A 26 -23.766 16.508 4.953 1.00 12.14 N ATOM 392 CA LEU A 26 -23.660 15.053 4.995 1.00 55.43 C ATOM 393 C LEU A 26 -23.839 14.533 6.418 1.00 44.55 C ATOM 394 O LEU A 26 -24.219 13.381 6.626 1.00 23.14 O ATOM 395 CB LEU A 26 -22.307 14.605 4.441 1.00 42.21 C ATOM 396 CG LEU A 26 -21.902 15.201 3.092 1.00 21.30 C ATOM 397 CD1 LEU A 26 -20.580 14.612 2.624 1.00 14.50 C ATOM 398 CD2 LEU A 26 -22.992 14.963 2.056 1.00 63.33 C ATOM 0 H LEU A 26 -22.952 16.979 4.559 1.00 12.14 H new ATOM 0 HA LEU A 26 -24.455 14.638 4.375 1.00 55.43 H new ATOM 0 HB2 LEU A 26 -21.537 14.855 5.171 1.00 42.21 H new ATOM 0 HB3 LEU A 26 -22.317 13.519 4.347 1.00 42.21 H new ATOM 0 HG LEU A 26 -21.773 16.276 3.214 1.00 21.30 H new ATOM 0 HD11 LEU A 26 -20.308 15.048 1.663 1.00 14.50 H new ATOM 0 HD12 LEU A 26 -19.803 14.834 3.356 1.00 14.50 H new ATOM 0 HD13 LEU A 26 -20.680 13.532 2.517 1.00 14.50 H new ATOM 0 HD21 LEU A 26 -22.688 15.393 1.102 1.00 63.33 H new ATOM 0 HD22 LEU A 26 -23.152 13.892 1.936 1.00 63.33 H new ATOM 0 HD23 LEU A 26 -23.918 15.433 2.387 1.00 63.33 H new ATOM 410 N LYS A 27 -23.564 15.392 7.394 1.00 40.45 N ATOM 411 CA LYS A 27 -23.697 15.022 8.797 1.00 4.33 C ATOM 412 C LYS A 27 -25.091 14.472 9.086 1.00 43.22 C ATOM 413 O LYS A 27 -25.272 13.661 9.994 1.00 72.44 O ATOM 414 CB LYS A 27 -23.419 16.231 9.694 1.00 54.35 C ATOM 415 CG LYS A 27 -22.848 15.864 11.052 1.00 72.24 C ATOM 416 CD LYS A 27 -22.232 17.070 11.743 1.00 75.03 C ATOM 417 CE LYS A 27 -22.296 16.937 13.257 1.00 75.42 C ATOM 418 NZ LYS A 27 -21.743 15.635 13.723 1.00 62.02 N ATOM 0 H LYS A 27 -23.248 16.349 7.238 1.00 40.45 H new ATOM 0 HA LYS A 27 -22.966 14.242 9.011 1.00 4.33 H new ATOM 0 HB2 LYS A 27 -22.723 16.898 9.185 1.00 54.35 H new ATOM 0 HB3 LYS A 27 -24.346 16.787 9.837 1.00 54.35 H new ATOM 0 HG2 LYS A 27 -23.637 15.448 11.679 1.00 72.24 H new ATOM 0 HG3 LYS A 27 -22.093 15.087 10.932 1.00 72.24 H new ATOM 0 HD2 LYS A 27 -21.194 17.179 11.430 1.00 75.03 H new ATOM 0 HD3 LYS A 27 -22.755 17.975 11.434 1.00 75.03 H new ATOM 0 HE2 LYS A 27 -21.740 17.754 13.717 1.00 75.42 H new ATOM 0 HE3 LYS A 27 -23.331 17.031 13.586 1.00 75.42 H new ATOM 0 HZ1 LYS A 27 -21.631 15.655 14.757 1.00 62.02 H new ATOM 0 HZ2 LYS A 27 -22.394 14.867 13.460 1.00 62.02 H new ATOM 0 HZ3 LYS A 27 -20.817 15.472 13.278 1.00 62.02 H new ATOM 432 N SER A 28 -26.070 14.918 8.307 1.00 73.24 N ATOM 433 CA SER A 28 -27.448 14.471 8.480 1.00 1.53 C ATOM 434 C SER A 28 -27.680 13.139 7.775 1.00 11.20 C ATOM 435 O SER A 28 -28.520 12.342 8.190 1.00 54.32 O ATOM 436 CB SER A 28 -28.419 15.523 7.941 1.00 40.35 C ATOM 437 OG SER A 28 -29.695 14.959 7.691 1.00 62.33 O ATOM 0 H SER A 28 -25.936 15.588 7.550 1.00 73.24 H new ATOM 0 HA SER A 28 -27.628 14.333 9.546 1.00 1.53 H new ATOM 0 HB2 SER A 28 -28.512 16.338 8.659 1.00 40.35 H new ATOM 0 HB3 SER A 28 -28.021 15.952 7.021 1.00 40.35 H new ATOM 0 HG SER A 28 -29.796 14.790 6.731 1.00 62.33 H new ATOM 443 N GLY A 29 -26.928 12.904 6.704 1.00 23.30 N ATOM 444 CA GLY A 29 -27.066 11.667 5.957 1.00 42.44 C ATOM 445 C GLY A 29 -27.290 11.907 4.477 1.00 72.44 C ATOM 446 O GLY A 29 -28.031 11.169 3.829 1.00 55.14 O ATOM 0 H GLY A 29 -26.226 13.548 6.340 1.00 23.30 H new ATOM 0 HA2 GLY A 29 -26.169 11.062 6.092 1.00 42.44 H new ATOM 0 HA3 GLY A 29 -27.901 11.094 6.360 1.00 42.44 H new ATOM 450 N GLU A 30 -26.650 12.942 3.942 1.00 1.20 N ATOM 451 CA GLU A 30 -26.787 13.277 2.530 1.00 43.11 C ATOM 452 C GLU A 30 -25.633 12.693 1.719 1.00 52.13 C ATOM 453 O GLU A 30 -24.870 11.862 2.211 1.00 1.32 O ATOM 454 CB GLU A 30 -26.837 14.794 2.345 1.00 14.34 C ATOM 455 CG GLU A 30 -27.663 15.508 3.403 1.00 13.41 C ATOM 456 CD GLU A 30 -29.042 14.902 3.574 1.00 13.54 C ATOM 457 OE1 GLU A 30 -29.738 14.713 2.554 1.00 11.23 O ATOM 458 OE2 GLU A 30 -29.425 14.618 4.728 1.00 31.22 O ATOM 0 H GLU A 30 -26.032 13.562 4.465 1.00 1.20 H new ATOM 0 HA GLU A 30 -27.720 12.844 2.169 1.00 43.11 H new ATOM 0 HB2 GLU A 30 -25.821 15.188 2.362 1.00 14.34 H new ATOM 0 HB3 GLU A 30 -27.249 15.019 1.361 1.00 14.34 H new ATOM 0 HG2 GLU A 30 -27.134 15.473 4.356 1.00 13.41 H new ATOM 0 HG3 GLU A 30 -27.763 16.559 3.132 1.00 13.41 H new ATOM 465 N LYS A 31 -25.513 13.135 0.471 1.00 71.14 N ATOM 466 CA LYS A 31 -24.453 12.658 -0.410 1.00 55.33 C ATOM 467 C LYS A 31 -23.621 13.822 -0.940 1.00 55.41 C ATOM 468 O LYS A 31 -24.160 14.868 -1.305 1.00 32.04 O ATOM 469 CB LYS A 31 -25.049 11.871 -1.579 1.00 75.05 C ATOM 470 CG LYS A 31 -24.041 10.992 -2.299 1.00 4.30 C ATOM 471 CD LYS A 31 -23.879 9.649 -1.609 1.00 75.14 C ATOM 472 CE LYS A 31 -22.882 8.763 -2.340 1.00 4.21 C ATOM 473 NZ LYS A 31 -21.491 8.975 -1.851 1.00 74.23 N ATOM 0 H LYS A 31 -26.136 13.822 0.047 1.00 71.14 H new ATOM 0 HA LYS A 31 -23.802 12.002 0.168 1.00 55.33 H new ATOM 0 HB2 LYS A 31 -25.863 11.247 -1.209 1.00 75.05 H new ATOM 0 HB3 LYS A 31 -25.483 12.571 -2.293 1.00 75.05 H new ATOM 0 HG2 LYS A 31 -24.363 10.836 -3.329 1.00 4.30 H new ATOM 0 HG3 LYS A 31 -23.077 11.500 -2.339 1.00 4.30 H new ATOM 0 HD2 LYS A 31 -23.546 9.804 -0.583 1.00 75.14 H new ATOM 0 HD3 LYS A 31 -24.845 9.146 -1.558 1.00 75.14 H new ATOM 0 HE2 LYS A 31 -23.159 7.717 -2.206 1.00 4.21 H new ATOM 0 HE3 LYS A 31 -22.927 8.970 -3.409 1.00 4.21 H new ATOM 0 HZ1 LYS A 31 -20.841 8.354 -2.373 1.00 74.23 H new ATOM 0 HZ2 LYS A 31 -21.217 9.967 -2.002 1.00 74.23 H new ATOM 0 HZ3 LYS A 31 -21.442 8.753 -0.836 1.00 74.23 H new ATOM 487 N PHE A 32 -22.307 13.634 -0.980 1.00 53.13 N ATOM 488 CA PHE A 32 -21.401 14.668 -1.466 1.00 11.54 C ATOM 489 C PHE A 32 -21.826 15.159 -2.847 1.00 2.22 C ATOM 490 O PHE A 32 -21.919 16.362 -3.088 1.00 71.05 O ATOM 491 CB PHE A 32 -19.967 14.136 -1.520 1.00 0.20 C ATOM 492 CG PHE A 32 -18.963 15.163 -1.956 1.00 41.32 C ATOM 493 CD1 PHE A 32 -18.788 15.454 -3.300 1.00 73.25 C ATOM 494 CD2 PHE A 32 -18.192 15.839 -1.024 1.00 12.24 C ATOM 495 CE1 PHE A 32 -17.864 16.399 -3.706 1.00 35.10 C ATOM 496 CE2 PHE A 32 -17.268 16.785 -1.423 1.00 13.50 C ATOM 497 CZ PHE A 32 -17.102 17.065 -2.765 1.00 53.43 C ATOM 0 H PHE A 32 -21.845 12.775 -0.682 1.00 53.13 H new ATOM 0 HA PHE A 32 -21.443 15.508 -0.772 1.00 11.54 H new ATOM 0 HB2 PHE A 32 -19.689 13.763 -0.534 1.00 0.20 H new ATOM 0 HB3 PHE A 32 -19.928 13.288 -2.204 1.00 0.20 H new ATOM 0 HD1 PHE A 32 -19.381 14.936 -4.039 1.00 73.25 H new ATOM 0 HD2 PHE A 32 -18.315 15.624 0.027 1.00 12.24 H new ATOM 0 HE1 PHE A 32 -17.738 16.616 -4.756 1.00 35.10 H new ATOM 0 HE2 PHE A 32 -16.675 17.306 -0.685 1.00 13.50 H new ATOM 0 HZ PHE A 32 -16.378 17.803 -3.078 1.00 53.43 H new ATOM 507 N GLY A 33 -22.082 14.218 -3.750 1.00 12.21 N ATOM 508 CA GLY A 33 -22.493 14.573 -5.096 1.00 13.32 C ATOM 509 C GLY A 33 -23.757 15.411 -5.114 1.00 0.24 C ATOM 510 O GLY A 33 -23.918 16.287 -5.962 1.00 42.41 O ATOM 0 H GLY A 33 -22.012 13.216 -3.574 1.00 12.21 H new ATOM 0 HA2 GLY A 33 -21.689 15.123 -5.585 1.00 13.32 H new ATOM 0 HA3 GLY A 33 -22.655 13.664 -5.675 1.00 13.32 H new ATOM 514 N LYS A 34 -24.657 15.139 -4.175 1.00 55.24 N ATOM 515 CA LYS A 34 -25.914 15.874 -4.086 1.00 32.14 C ATOM 516 C LYS A 34 -25.661 17.370 -3.942 1.00 0.54 C ATOM 517 O LYS A 34 -26.516 18.190 -4.281 1.00 3.53 O ATOM 518 CB LYS A 34 -26.740 15.369 -2.901 1.00 31.13 C ATOM 519 CG LYS A 34 -28.206 15.760 -2.970 1.00 15.51 C ATOM 520 CD LYS A 34 -28.973 15.270 -1.753 1.00 23.14 C ATOM 521 CE LYS A 34 -29.514 13.864 -1.965 1.00 33.44 C ATOM 522 NZ LYS A 34 -30.615 13.545 -1.014 1.00 24.11 N ATOM 0 H LYS A 34 -24.540 14.416 -3.465 1.00 55.24 H new ATOM 0 HA LYS A 34 -26.471 15.705 -5.008 1.00 32.14 H new ATOM 0 HB2 LYS A 34 -26.664 14.283 -2.853 1.00 31.13 H new ATOM 0 HB3 LYS A 34 -26.312 15.759 -1.978 1.00 31.13 H new ATOM 0 HG2 LYS A 34 -28.291 16.844 -3.042 1.00 15.51 H new ATOM 0 HG3 LYS A 34 -28.652 15.344 -3.874 1.00 15.51 H new ATOM 0 HD2 LYS A 34 -28.320 15.282 -0.881 1.00 23.14 H new ATOM 0 HD3 LYS A 34 -29.798 15.951 -1.543 1.00 23.14 H new ATOM 0 HE2 LYS A 34 -29.877 13.765 -2.988 1.00 33.44 H new ATOM 0 HE3 LYS A 34 -28.707 13.142 -1.842 1.00 33.44 H new ATOM 0 HZ1 LYS A 34 -30.957 12.579 -1.190 1.00 24.11 H new ATOM 0 HZ2 LYS A 34 -30.262 13.615 -0.038 1.00 24.11 H new ATOM 0 HZ3 LYS A 34 -31.396 14.218 -1.149 1.00 24.11 H new ATOM 536 N LEU A 35 -24.483 17.721 -3.436 1.00 40.15 N ATOM 537 CA LEU A 35 -24.117 19.120 -3.250 1.00 24.24 C ATOM 538 C LEU A 35 -23.142 19.578 -4.330 1.00 20.14 C ATOM 539 O LEU A 35 -23.032 20.769 -4.616 1.00 0.50 O ATOM 540 CB LEU A 35 -23.494 19.324 -1.867 1.00 13.43 C ATOM 541 CG LEU A 35 -24.107 18.507 -0.728 1.00 41.54 C ATOM 542 CD1 LEU A 35 -23.380 18.784 0.578 1.00 34.31 C ATOM 543 CD2 LEU A 35 -25.592 18.815 -0.590 1.00 4.20 C ATOM 0 H LEU A 35 -23.766 17.056 -3.148 1.00 40.15 H new ATOM 0 HA LEU A 35 -25.024 19.720 -3.328 1.00 24.24 H new ATOM 0 HB2 LEU A 35 -22.433 19.084 -1.930 1.00 13.43 H new ATOM 0 HB3 LEU A 35 -23.567 20.381 -1.610 1.00 13.43 H new ATOM 0 HG LEU A 35 -23.996 17.449 -0.964 1.00 41.54 H new ATOM 0 HD11 LEU A 35 -23.830 18.194 1.377 1.00 34.31 H new ATOM 0 HD12 LEU A 35 -22.329 18.513 0.474 1.00 34.31 H new ATOM 0 HD13 LEU A 35 -23.459 19.844 0.821 1.00 34.31 H new ATOM 0 HD21 LEU A 35 -26.012 18.225 0.225 1.00 4.20 H new ATOM 0 HD22 LEU A 35 -25.725 19.876 -0.376 1.00 4.20 H new ATOM 0 HD23 LEU A 35 -26.103 18.565 -1.520 1.00 4.20 H new ATOM 555 N ALA A 36 -22.440 18.621 -4.929 1.00 41.44 N ATOM 556 CA ALA A 36 -21.478 18.926 -5.981 1.00 13.40 C ATOM 557 C ALA A 36 -22.183 19.201 -7.305 1.00 44.31 C ATOM 558 O ALA A 36 -21.617 19.828 -8.203 1.00 32.21 O ATOM 559 CB ALA A 36 -20.487 17.783 -6.136 1.00 63.24 C ATOM 0 H ALA A 36 -22.519 17.629 -4.704 1.00 41.44 H new ATOM 0 HA ALA A 36 -20.935 19.827 -5.694 1.00 13.40 H new ATOM 0 HB1 ALA A 36 -19.774 18.024 -6.925 1.00 63.24 H new ATOM 0 HB2 ALA A 36 -19.953 17.635 -5.197 1.00 63.24 H new ATOM 0 HB3 ALA A 36 -21.022 16.870 -6.397 1.00 63.24 H new ATOM 565 N LYS A 37 -23.419 18.730 -7.422 1.00 42.22 N ATOM 566 CA LYS A 37 -24.202 18.925 -8.636 1.00 54.33 C ATOM 567 C LYS A 37 -25.007 20.220 -8.562 1.00 64.04 C ATOM 568 O LYS A 37 -25.848 20.487 -9.420 1.00 33.02 O ATOM 569 CB LYS A 37 -25.143 17.739 -8.857 1.00 51.13 C ATOM 570 CG LYS A 37 -25.769 17.709 -10.241 1.00 64.04 C ATOM 571 CD LYS A 37 -26.222 16.308 -10.618 1.00 1.44 C ATOM 572 CE LYS A 37 -27.567 15.971 -9.992 1.00 4.11 C ATOM 573 NZ LYS A 37 -28.251 14.861 -10.711 1.00 43.21 N ATOM 0 H LYS A 37 -23.901 18.209 -6.689 1.00 42.22 H new ATOM 0 HA LYS A 37 -23.512 18.994 -9.477 1.00 54.33 H new ATOM 0 HB2 LYS A 37 -24.591 16.813 -8.697 1.00 51.13 H new ATOM 0 HB3 LYS A 37 -25.936 17.771 -8.109 1.00 51.13 H new ATOM 0 HG2 LYS A 37 -26.621 18.388 -10.271 1.00 64.04 H new ATOM 0 HG3 LYS A 37 -25.048 18.069 -10.975 1.00 64.04 H new ATOM 0 HD2 LYS A 37 -26.293 16.227 -11.703 1.00 1.44 H new ATOM 0 HD3 LYS A 37 -25.476 15.583 -10.293 1.00 1.44 H new ATOM 0 HE2 LYS A 37 -27.422 15.693 -8.948 1.00 4.11 H new ATOM 0 HE3 LYS A 37 -28.203 16.856 -10.001 1.00 4.11 H new ATOM 0 HZ1 LYS A 37 -29.164 14.662 -10.254 1.00 43.21 H new ATOM 0 HZ2 LYS A 37 -28.412 15.136 -11.701 1.00 43.21 H new ATOM 0 HZ3 LYS A 37 -27.655 14.009 -10.681 1.00 43.21 H new ATOM 587 N GLU A 38 -24.740 21.019 -7.534 1.00 73.13 N ATOM 588 CA GLU A 38 -25.439 22.285 -7.351 1.00 34.40 C ATOM 589 C GLU A 38 -24.479 23.376 -6.888 1.00 65.41 C ATOM 590 O GLU A 38 -24.334 24.410 -7.541 1.00 52.51 O ATOM 591 CB GLU A 38 -26.572 22.125 -6.335 1.00 73.22 C ATOM 592 CG GLU A 38 -27.635 21.126 -6.760 1.00 61.05 C ATOM 593 CD GLU A 38 -28.692 21.743 -7.657 1.00 5.13 C ATOM 594 OE1 GLU A 38 -28.322 22.321 -8.700 1.00 23.33 O ATOM 595 OE2 GLU A 38 -29.888 21.649 -7.313 1.00 54.14 O ATOM 0 H GLU A 38 -24.046 20.812 -6.816 1.00 73.13 H new ATOM 0 HA GLU A 38 -25.860 22.579 -8.312 1.00 34.40 H new ATOM 0 HB2 GLU A 38 -26.151 21.810 -5.380 1.00 73.22 H new ATOM 0 HB3 GLU A 38 -27.042 23.095 -6.172 1.00 73.22 H new ATOM 0 HG2 GLU A 38 -27.160 20.296 -7.283 1.00 61.05 H new ATOM 0 HG3 GLU A 38 -28.114 20.711 -5.873 1.00 61.05 H new ATOM 602 N LEU A 39 -23.822 23.138 -5.758 1.00 54.44 N ATOM 603 CA LEU A 39 -22.874 24.100 -5.206 1.00 43.22 C ATOM 604 C LEU A 39 -21.699 24.311 -6.155 1.00 72.04 C ATOM 605 O LEU A 39 -21.341 25.445 -6.472 1.00 5.30 O ATOM 606 CB LEU A 39 -22.365 23.621 -3.845 1.00 73.23 C ATOM 607 CG LEU A 39 -23.430 23.403 -2.770 1.00 42.21 C ATOM 608 CD1 LEU A 39 -22.780 23.080 -1.433 1.00 60.03 C ATOM 609 CD2 LEU A 39 -24.323 24.629 -2.648 1.00 35.43 C ATOM 0 H LEU A 39 -23.928 22.287 -5.206 1.00 54.44 H new ATOM 0 HA LEU A 39 -23.391 25.051 -5.079 1.00 43.22 H new ATOM 0 HB2 LEU A 39 -21.826 22.685 -3.990 1.00 73.23 H new ATOM 0 HB3 LEU A 39 -21.644 24.349 -3.472 1.00 73.23 H new ATOM 0 HG LEU A 39 -24.049 22.555 -3.065 1.00 42.21 H new ATOM 0 HD11 LEU A 39 -23.553 22.928 -0.680 1.00 60.03 H new ATOM 0 HD12 LEU A 39 -22.183 22.173 -1.528 1.00 60.03 H new ATOM 0 HD13 LEU A 39 -22.137 23.907 -1.132 1.00 60.03 H new ATOM 0 HD21 LEU A 39 -25.075 24.456 -1.878 1.00 35.43 H new ATOM 0 HD22 LEU A 39 -23.718 25.494 -2.376 1.00 35.43 H new ATOM 0 HD23 LEU A 39 -24.816 24.816 -3.602 1.00 35.43 H new ATOM 621 N SER A 40 -21.104 23.212 -6.608 1.00 31.03 N ATOM 622 CA SER A 40 -19.969 23.276 -7.520 1.00 11.33 C ATOM 623 C SER A 40 -20.285 24.165 -8.719 1.00 22.20 C ATOM 624 O SER A 40 -21.003 23.759 -9.634 1.00 24.33 O ATOM 625 CB SER A 40 -19.590 21.873 -7.996 1.00 64.13 C ATOM 626 OG SER A 40 -18.183 21.728 -8.087 1.00 4.11 O ATOM 0 H SER A 40 -21.390 22.266 -6.358 1.00 31.03 H new ATOM 0 HA SER A 40 -19.126 23.709 -6.981 1.00 11.33 H new ATOM 0 HB2 SER A 40 -19.991 21.131 -7.306 1.00 64.13 H new ATOM 0 HB3 SER A 40 -20.042 21.681 -8.969 1.00 64.13 H new ATOM 0 HG SER A 40 -17.905 21.813 -9.023 1.00 4.11 H new ATOM 632 N ILE A 41 -19.746 25.379 -8.707 1.00 65.25 N ATOM 633 CA ILE A 41 -19.970 26.325 -9.793 1.00 64.32 C ATOM 634 C ILE A 41 -19.187 25.924 -11.040 1.00 50.51 C ATOM 635 O ILE A 41 -19.533 26.316 -12.155 1.00 71.33 O ATOM 636 CB ILE A 41 -19.567 27.755 -9.386 1.00 74.03 C ATOM 637 CG1 ILE A 41 -18.133 27.774 -8.857 1.00 2.12 C ATOM 638 CG2 ILE A 41 -20.531 28.298 -8.342 1.00 21.24 C ATOM 639 CD1 ILE A 41 -17.355 29.005 -9.265 1.00 22.23 C ATOM 0 H ILE A 41 -19.151 25.731 -7.957 1.00 65.25 H new ATOM 0 HA ILE A 41 -21.037 26.306 -10.014 1.00 64.32 H new ATOM 0 HB ILE A 41 -19.616 28.396 -10.266 1.00 74.03 H new ATOM 0 HG12 ILE A 41 -18.155 27.712 -7.769 1.00 2.12 H new ATOM 0 HG13 ILE A 41 -17.610 26.888 -9.216 1.00 2.12 H new ATOM 0 HG21 ILE A 41 -20.234 29.309 -8.064 1.00 21.24 H new ATOM 0 HG22 ILE A 41 -21.540 28.316 -8.753 1.00 21.24 H new ATOM 0 HG23 ILE A 41 -20.510 27.658 -7.460 1.00 21.24 H new ATOM 0 HD11 ILE A 41 -16.347 28.951 -8.855 1.00 22.23 H new ATOM 0 HD12 ILE A 41 -17.302 29.058 -10.352 1.00 22.23 H new ATOM 0 HD13 ILE A 41 -17.855 29.895 -8.883 1.00 22.23 H new ATOM 651 N ASP A 42 -18.133 25.141 -10.844 1.00 74.43 N ATOM 652 CA ASP A 42 -17.303 24.684 -11.952 1.00 50.15 C ATOM 653 C ASP A 42 -18.128 23.883 -12.955 1.00 70.14 C ATOM 654 O ASP A 42 -18.545 22.759 -12.675 1.00 1.14 O ATOM 655 CB ASP A 42 -16.143 23.833 -11.433 1.00 62.14 C ATOM 656 CG ASP A 42 -15.291 23.270 -12.553 1.00 2.10 C ATOM 657 OD1 ASP A 42 -15.433 23.740 -13.702 1.00 23.42 O ATOM 658 OD2 ASP A 42 -14.481 22.358 -12.281 1.00 52.44 O ATOM 0 H ASP A 42 -17.833 24.809 -9.927 1.00 74.43 H new ATOM 0 HA ASP A 42 -16.901 25.562 -12.457 1.00 50.15 H new ATOM 0 HB2 ASP A 42 -15.519 24.437 -10.775 1.00 62.14 H new ATOM 0 HB3 ASP A 42 -16.538 23.013 -10.833 1.00 62.14 H new ATOM 663 N SER A 43 -18.361 24.470 -14.125 1.00 63.02 N ATOM 664 CA SER A 43 -19.140 23.814 -15.169 1.00 31.24 C ATOM 665 C SER A 43 -18.607 22.411 -15.443 1.00 71.15 C ATOM 666 O SER A 43 -19.371 21.488 -15.723 1.00 31.43 O ATOM 667 CB SER A 43 -19.112 24.643 -16.453 1.00 74.11 C ATOM 668 OG SER A 43 -17.820 24.641 -17.034 1.00 53.13 O ATOM 0 H SER A 43 -18.021 25.399 -14.374 1.00 63.02 H new ATOM 0 HA SER A 43 -20.170 23.731 -14.822 1.00 31.24 H new ATOM 0 HB2 SER A 43 -19.834 24.242 -17.164 1.00 74.11 H new ATOM 0 HB3 SER A 43 -19.414 25.667 -16.235 1.00 74.11 H new ATOM 0 HG SER A 43 -17.829 25.177 -17.855 1.00 53.13 H new ATOM 674 N GLY A 44 -17.289 22.259 -15.361 1.00 44.23 N ATOM 675 CA GLY A 44 -16.674 20.967 -15.604 1.00 70.33 C ATOM 676 C GLY A 44 -16.504 20.158 -14.333 1.00 45.11 C ATOM 677 O GLY A 44 -15.432 19.610 -14.078 1.00 61.25 O ATOM 0 H GLY A 44 -16.636 23.008 -15.131 1.00 44.23 H new ATOM 0 HA2 GLY A 44 -17.285 20.404 -16.310 1.00 70.33 H new ATOM 0 HA3 GLY A 44 -15.700 21.114 -16.071 1.00 70.33 H new ATOM 681 N SER A 45 -17.562 20.086 -13.533 1.00 50.12 N ATOM 682 CA SER A 45 -17.523 19.343 -12.279 1.00 10.50 C ATOM 683 C SER A 45 -18.933 19.014 -11.798 1.00 3.34 C ATOM 684 O SER A 45 -19.200 17.907 -11.334 1.00 73.43 O ATOM 685 CB SER A 45 -16.781 20.146 -11.208 1.00 45.35 C ATOM 686 OG SER A 45 -17.659 21.031 -10.534 1.00 62.44 O ATOM 0 H SER A 45 -18.457 20.533 -13.731 1.00 50.12 H new ATOM 0 HA SER A 45 -16.991 18.408 -12.456 1.00 10.50 H new ATOM 0 HB2 SER A 45 -16.324 19.465 -10.490 1.00 45.35 H new ATOM 0 HB3 SER A 45 -15.972 20.713 -11.669 1.00 45.35 H new ATOM 0 HG SER A 45 -18.039 21.667 -11.176 1.00 62.44 H new ATOM 692 N ALA A 46 -19.832 19.988 -11.910 1.00 65.01 N ATOM 693 CA ALA A 46 -21.214 19.802 -11.489 1.00 12.21 C ATOM 694 C ALA A 46 -21.887 18.690 -12.286 1.00 24.01 C ATOM 695 O ALA A 46 -22.935 18.177 -11.894 1.00 12.32 O ATOM 696 CB ALA A 46 -21.989 21.104 -11.637 1.00 32.30 C ATOM 0 H ALA A 46 -19.627 20.913 -12.289 1.00 65.01 H new ATOM 0 HA ALA A 46 -21.212 19.509 -10.439 1.00 12.21 H new ATOM 0 HB1 ALA A 46 -23.020 20.952 -11.319 1.00 32.30 H new ATOM 0 HB2 ALA A 46 -21.528 21.874 -11.018 1.00 32.30 H new ATOM 0 HB3 ALA A 46 -21.974 21.420 -12.680 1.00 32.30 H new ATOM 702 N LYS A 47 -21.279 18.322 -13.408 1.00 65.25 N ATOM 703 CA LYS A 47 -21.817 17.269 -14.261 1.00 54.41 C ATOM 704 C LYS A 47 -21.366 15.894 -13.781 1.00 3.34 C ATOM 705 O LYS A 47 -21.997 14.880 -14.082 1.00 45.54 O ATOM 706 CB LYS A 47 -21.377 17.484 -15.711 1.00 24.12 C ATOM 707 CG LYS A 47 -21.762 18.843 -16.269 1.00 3.10 C ATOM 708 CD LYS A 47 -23.156 18.824 -16.871 1.00 52.33 C ATOM 709 CE LYS A 47 -23.135 18.338 -18.312 1.00 42.43 C ATOM 710 NZ LYS A 47 -22.932 19.457 -19.273 1.00 4.51 N ATOM 0 H LYS A 47 -20.412 18.738 -13.748 1.00 65.25 H new ATOM 0 HA LYS A 47 -22.905 17.314 -14.207 1.00 54.41 H new ATOM 0 HB2 LYS A 47 -20.295 17.368 -15.774 1.00 24.12 H new ATOM 0 HB3 LYS A 47 -21.818 16.706 -16.335 1.00 24.12 H new ATOM 0 HG2 LYS A 47 -21.718 19.589 -15.475 1.00 3.10 H new ATOM 0 HG3 LYS A 47 -21.041 19.143 -17.029 1.00 3.10 H new ATOM 0 HD2 LYS A 47 -23.801 18.176 -16.277 1.00 52.33 H new ATOM 0 HD3 LYS A 47 -23.585 19.825 -16.830 1.00 52.33 H new ATOM 0 HE2 LYS A 47 -22.339 17.604 -18.436 1.00 42.43 H new ATOM 0 HE3 LYS A 47 -24.073 17.831 -18.538 1.00 42.43 H new ATOM 0 HZ1 LYS A 47 -22.924 19.084 -20.244 1.00 4.51 H new ATOM 0 HZ2 LYS A 47 -23.705 20.145 -19.173 1.00 4.51 H new ATOM 0 HZ3 LYS A 47 -22.025 19.925 -19.074 1.00 4.51 H new ATOM 724 N LYS A 48 -20.270 15.865 -13.029 1.00 50.51 N ATOM 725 CA LYS A 48 -19.735 14.615 -12.503 1.00 52.31 C ATOM 726 C LYS A 48 -19.773 14.605 -10.978 1.00 53.21 C ATOM 727 O LYS A 48 -18.966 13.939 -10.332 1.00 71.21 O ATOM 728 CB LYS A 48 -18.299 14.407 -12.989 1.00 25.12 C ATOM 729 CG LYS A 48 -17.468 15.678 -12.992 1.00 43.55 C ATOM 730 CD LYS A 48 -17.569 16.407 -14.322 1.00 14.13 C ATOM 731 CE LYS A 48 -16.523 15.912 -15.310 1.00 1.52 C ATOM 732 NZ LYS A 48 -15.207 16.577 -15.102 1.00 52.33 N ATOM 0 H LYS A 48 -19.735 16.694 -12.770 1.00 50.51 H new ATOM 0 HA LYS A 48 -20.358 13.799 -12.869 1.00 52.31 H new ATOM 0 HB2 LYS A 48 -17.813 13.667 -12.354 1.00 25.12 H new ATOM 0 HB3 LYS A 48 -18.322 13.995 -13.998 1.00 25.12 H new ATOM 0 HG2 LYS A 48 -17.803 16.335 -12.190 1.00 43.55 H new ATOM 0 HG3 LYS A 48 -16.426 15.433 -12.789 1.00 43.55 H new ATOM 0 HD2 LYS A 48 -18.565 16.263 -14.742 1.00 14.13 H new ATOM 0 HD3 LYS A 48 -17.442 17.478 -14.162 1.00 14.13 H new ATOM 0 HE2 LYS A 48 -16.406 14.833 -15.205 1.00 1.52 H new ATOM 0 HE3 LYS A 48 -16.867 16.098 -16.327 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 -14.673 16.576 -15.994 1.00 52.33 H new ATOM 0 HZ2 LYS A 48 -15.359 17.558 -14.791 1.00 52.33 H new ATOM 0 HZ3 LYS A 48 -14.669 16.063 -14.376 1.00 52.33 H new ATOM 746 N ASN A 49 -20.718 15.348 -10.410 1.00 45.41 N ATOM 747 CA ASN A 49 -20.861 15.425 -8.961 1.00 72.22 C ATOM 748 C ASN A 49 -19.537 15.794 -8.301 1.00 43.22 C ATOM 749 O ASN A 49 -19.252 15.378 -7.179 1.00 60.15 O ATOM 750 CB ASN A 49 -21.365 14.089 -8.407 1.00 2.51 C ATOM 751 CG ASN A 49 -22.822 13.837 -8.741 1.00 52.15 C ATOM 752 OD1 ASN A 49 -23.145 12.947 -9.528 1.00 41.12 O ATOM 753 ND2 ASN A 49 -23.711 14.623 -8.145 1.00 24.22 N ATOM 0 H ASN A 49 -21.395 15.905 -10.931 1.00 45.41 H new ATOM 0 HA ASN A 49 -21.588 16.204 -8.734 1.00 72.22 H new ATOM 0 HB2 ASN A 49 -20.757 13.279 -8.811 1.00 2.51 H new ATOM 0 HB3 ASN A 49 -21.236 14.076 -7.325 1.00 2.51 H new ATOM 0 HD21 ASN A 49 -24.706 14.501 -8.333 1.00 24.22 H new ATOM 0 HD22 ASN A 49 -23.399 15.348 -7.499 1.00 24.22 H new ATOM 760 N GLY A 50 -18.730 16.581 -9.006 1.00 51.33 N ATOM 761 CA GLY A 50 -17.445 16.995 -8.474 1.00 11.40 C ATOM 762 C GLY A 50 -16.536 15.820 -8.175 1.00 0.21 C ATOM 763 O GLY A 50 -15.557 15.955 -7.442 1.00 32.24 O ATOM 0 H GLY A 50 -18.944 16.939 -9.937 1.00 51.33 H new ATOM 0 HA2 GLY A 50 -16.955 17.657 -9.189 1.00 11.40 H new ATOM 0 HA3 GLY A 50 -17.601 17.571 -7.562 1.00 11.40 H new ATOM 767 N ASN A 51 -16.860 14.663 -8.744 1.00 33.02 N ATOM 768 CA ASN A 51 -16.066 13.458 -8.531 1.00 41.55 C ATOM 769 C ASN A 51 -15.035 13.284 -9.643 1.00 75.32 C ATOM 770 O ASN A 51 -15.260 12.545 -10.603 1.00 25.25 O ATOM 771 CB ASN A 51 -16.975 12.229 -8.466 1.00 64.03 C ATOM 772 CG ASN A 51 -16.189 10.932 -8.423 1.00 54.41 C ATOM 773 OD1 ASN A 51 -15.460 10.666 -7.466 1.00 51.12 O ATOM 774 ND2 ASN A 51 -16.335 10.118 -9.461 1.00 34.01 N ATOM 0 H ASN A 51 -17.666 14.535 -9.356 1.00 33.02 H new ATOM 0 HA ASN A 51 -15.538 13.562 -7.583 1.00 41.55 H new ATOM 0 HB2 ASN A 51 -17.610 12.296 -7.582 1.00 64.03 H new ATOM 0 HB3 ASN A 51 -17.635 12.222 -9.333 1.00 64.03 H new ATOM 0 HD21 ASN A 51 -15.832 9.231 -9.488 1.00 34.01 H new ATOM 0 HD22 ASN A 51 -16.950 10.380 -10.232 1.00 34.01 H new ATOM 781 N LEU A 52 -13.905 13.969 -9.507 1.00 72.00 N ATOM 782 CA LEU A 52 -12.838 13.889 -10.500 1.00 1.44 C ATOM 783 C LEU A 52 -12.215 12.498 -10.519 1.00 31.12 C ATOM 784 O LEU A 52 -11.474 12.152 -11.437 1.00 71.13 O ATOM 785 CB LEU A 52 -11.764 14.938 -10.206 1.00 4.21 C ATOM 786 CG LEU A 52 -11.186 14.929 -8.790 1.00 11.35 C ATOM 787 CD1 LEU A 52 -9.995 13.986 -8.704 1.00 75.04 C ATOM 788 CD2 LEU A 52 -10.786 16.335 -8.368 1.00 33.23 C ATOM 0 H LEU A 52 -13.703 14.586 -8.720 1.00 72.00 H new ATOM 0 HA LEU A 52 -13.271 14.085 -11.481 1.00 1.44 H new ATOM 0 HB2 LEU A 52 -10.945 14.798 -10.912 1.00 4.21 H new ATOM 0 HB3 LEU A 52 -12.186 15.924 -10.398 1.00 4.21 H new ATOM 0 HG LEU A 52 -11.956 14.571 -8.107 1.00 11.35 H new ATOM 0 HD11 LEU A 52 -9.598 13.993 -7.689 1.00 75.04 H new ATOM 0 HD12 LEU A 52 -10.312 12.976 -8.962 1.00 75.04 H new ATOM 0 HD13 LEU A 52 -9.221 14.313 -9.399 1.00 75.04 H new ATOM 0 HD21 LEU A 52 -10.377 16.309 -7.358 1.00 33.23 H new ATOM 0 HD22 LEU A 52 -10.033 16.721 -9.055 1.00 33.23 H new ATOM 0 HD23 LEU A 52 -11.662 16.984 -8.388 1.00 33.23 H new ATOM 800 N GLY A 53 -12.524 11.702 -9.500 1.00 32.02 N ATOM 801 CA GLY A 53 -11.987 10.356 -9.421 1.00 35.34 C ATOM 802 C GLY A 53 -10.548 10.332 -8.947 1.00 41.10 C ATOM 803 O GLY A 53 -10.211 10.945 -7.934 1.00 4.55 O ATOM 0 H GLY A 53 -13.136 11.965 -8.728 1.00 32.02 H new ATOM 0 HA2 GLY A 53 -12.600 9.763 -8.742 1.00 35.34 H new ATOM 0 HA3 GLY A 53 -12.051 9.885 -10.402 1.00 35.34 H new ATOM 807 N TYR A 54 -9.698 9.622 -9.679 1.00 71.20 N ATOM 808 CA TYR A 54 -8.287 9.517 -9.326 1.00 11.14 C ATOM 809 C TYR A 54 -7.486 10.662 -9.938 1.00 22.21 C ATOM 810 O TYR A 54 -7.662 11.001 -11.109 1.00 5.54 O ATOM 811 CB TYR A 54 -7.721 8.175 -9.794 1.00 4.25 C ATOM 812 CG TYR A 54 -7.672 7.126 -8.706 1.00 2.12 C ATOM 813 CD1 TYR A 54 -8.729 6.969 -7.818 1.00 4.34 C ATOM 814 CD2 TYR A 54 -6.570 6.292 -8.567 1.00 62.01 C ATOM 815 CE1 TYR A 54 -8.688 6.013 -6.822 1.00 61.30 C ATOM 816 CE2 TYR A 54 -6.521 5.331 -7.575 1.00 51.53 C ATOM 817 CZ TYR A 54 -7.583 5.196 -6.705 1.00 63.30 C ATOM 818 OH TYR A 54 -7.539 4.241 -5.715 1.00 61.44 O ATOM 0 H TYR A 54 -9.961 9.110 -10.521 1.00 71.20 H new ATOM 0 HA TYR A 54 -8.204 9.579 -8.241 1.00 11.14 H new ATOM 0 HB2 TYR A 54 -8.328 7.802 -10.619 1.00 4.25 H new ATOM 0 HB3 TYR A 54 -6.715 8.330 -10.183 1.00 4.25 H new ATOM 0 HD1 TYR A 54 -9.597 7.605 -7.908 1.00 4.34 H new ATOM 0 HD2 TYR A 54 -5.737 6.396 -9.246 1.00 62.01 H new ATOM 0 HE1 TYR A 54 -9.517 5.906 -6.138 1.00 61.30 H new ATOM 0 HE2 TYR A 54 -5.657 4.690 -7.482 1.00 51.53 H new ATOM 0 HH TYR A 54 -6.693 3.750 -5.771 1.00 61.44 H new ATOM 828 N PHE A 55 -6.605 11.253 -9.139 1.00 22.02 N ATOM 829 CA PHE A 55 -5.775 12.360 -9.600 1.00 62.02 C ATOM 830 C PHE A 55 -4.345 12.219 -9.086 1.00 51.43 C ATOM 831 O PHE A 55 -4.026 11.284 -8.352 1.00 24.44 O ATOM 832 CB PHE A 55 -6.365 13.694 -9.139 1.00 75.34 C ATOM 833 CG PHE A 55 -5.879 14.130 -7.787 1.00 43.14 C ATOM 834 CD1 PHE A 55 -5.955 13.276 -6.699 1.00 75.31 C ATOM 835 CD2 PHE A 55 -5.342 15.394 -7.604 1.00 14.54 C ATOM 836 CE1 PHE A 55 -5.509 13.674 -5.454 1.00 4.33 C ATOM 837 CE2 PHE A 55 -4.893 15.800 -6.361 1.00 35.45 C ATOM 838 CZ PHE A 55 -4.976 14.937 -5.285 1.00 13.21 C ATOM 0 H PHE A 55 -6.447 10.984 -8.168 1.00 22.02 H new ATOM 0 HA PHE A 55 -5.755 12.337 -10.690 1.00 62.02 H new ATOM 0 HB2 PHE A 55 -6.118 14.463 -9.870 1.00 75.34 H new ATOM 0 HB3 PHE A 55 -7.452 13.613 -9.117 1.00 75.34 H new ATOM 0 HD1 PHE A 55 -6.368 12.286 -6.826 1.00 75.31 H new ATOM 0 HD2 PHE A 55 -5.273 16.071 -8.443 1.00 14.54 H new ATOM 0 HE1 PHE A 55 -5.577 12.999 -4.614 1.00 4.33 H new ATOM 0 HE2 PHE A 55 -4.479 16.789 -6.231 1.00 35.45 H new ATOM 0 HZ PHE A 55 -4.624 15.250 -4.313 1.00 13.21 H new ATOM 848 N THR A 56 -3.486 13.156 -9.479 1.00 33.34 N ATOM 849 CA THR A 56 -2.091 13.135 -9.060 1.00 44.52 C ATOM 850 C THR A 56 -1.579 14.546 -8.785 1.00 34.05 C ATOM 851 O THR A 56 -2.287 15.528 -9.007 1.00 43.21 O ATOM 852 CB THR A 56 -1.194 12.476 -10.124 1.00 51.34 C ATOM 853 OG1 THR A 56 -1.019 13.362 -11.236 1.00 32.25 O ATOM 854 CG2 THR A 56 -1.799 11.165 -10.605 1.00 13.12 C ATOM 0 H THR A 56 -3.733 13.938 -10.086 1.00 33.34 H new ATOM 0 HA THR A 56 -2.046 12.548 -8.143 1.00 44.52 H new ATOM 0 HB THR A 56 -0.225 12.267 -9.671 1.00 51.34 H new ATOM 0 HG1 THR A 56 -0.446 12.936 -11.907 1.00 32.25 H new ATOM 0 HG21 THR A 56 -1.148 10.718 -11.356 1.00 13.12 H new ATOM 0 HG22 THR A 56 -1.904 10.482 -9.762 1.00 13.12 H new ATOM 0 HG23 THR A 56 -2.779 11.355 -11.042 1.00 13.12 H new ATOM 862 N LYS A 57 -0.346 14.638 -8.300 1.00 4.31 N ATOM 863 CA LYS A 57 0.262 15.928 -7.996 1.00 24.04 C ATOM 864 C LYS A 57 0.719 16.629 -9.271 1.00 54.13 C ATOM 865 O LYS A 57 1.788 16.334 -9.804 1.00 51.12 O ATOM 866 CB LYS A 57 1.450 15.745 -7.048 1.00 52.13 C ATOM 867 CG LYS A 57 1.154 14.831 -5.873 1.00 21.44 C ATOM 868 CD LYS A 57 1.983 15.202 -4.655 1.00 3.15 C ATOM 869 CE LYS A 57 1.851 14.163 -3.552 1.00 64.02 C ATOM 870 NZ LYS A 57 2.777 13.015 -3.759 1.00 63.32 N ATOM 0 H LYS A 57 0.252 13.834 -8.109 1.00 4.31 H new ATOM 0 HA LYS A 57 -0.490 16.550 -7.510 1.00 24.04 H new ATOM 0 HB2 LYS A 57 2.293 15.341 -7.609 1.00 52.13 H new ATOM 0 HB3 LYS A 57 1.757 16.721 -6.671 1.00 52.13 H new ATOM 0 HG2 LYS A 57 0.094 14.888 -5.624 1.00 21.44 H new ATOM 0 HG3 LYS A 57 1.360 13.798 -6.154 1.00 21.44 H new ATOM 0 HD2 LYS A 57 3.030 15.298 -4.942 1.00 3.15 H new ATOM 0 HD3 LYS A 57 1.665 16.175 -4.280 1.00 3.15 H new ATOM 0 HE2 LYS A 57 2.058 14.628 -2.588 1.00 64.02 H new ATOM 0 HE3 LYS A 57 0.824 13.800 -3.516 1.00 64.02 H new ATOM 0 HZ1 LYS A 57 2.657 12.329 -2.987 1.00 63.32 H new ATOM 0 HZ2 LYS A 57 2.563 12.556 -4.667 1.00 63.32 H new ATOM 0 HZ3 LYS A 57 3.759 13.358 -3.768 1.00 63.32 H new ATOM 884 N GLY A 58 -0.098 17.559 -9.756 1.00 4.14 N ATOM 885 CA GLY A 58 0.241 18.288 -10.965 1.00 32.34 C ATOM 886 C GLY A 58 -0.941 18.440 -11.901 1.00 13.43 C ATOM 887 O GLY A 58 -0.865 19.159 -12.896 1.00 12.43 O ATOM 0 H GLY A 58 -0.989 17.821 -9.333 1.00 4.14 H new ATOM 0 HA2 GLY A 58 0.617 19.275 -10.697 1.00 32.34 H new ATOM 0 HA3 GLY A 58 1.047 17.770 -11.484 1.00 32.34 H new ATOM 891 N MET A 59 -2.038 17.760 -11.582 1.00 62.44 N ATOM 892 CA MET A 59 -3.242 17.823 -12.403 1.00 43.13 C ATOM 893 C MET A 59 -4.214 18.865 -11.863 1.00 10.53 C ATOM 894 O MET A 59 -5.313 19.036 -12.390 1.00 74.40 O ATOM 895 CB MET A 59 -3.922 16.453 -12.456 1.00 23.04 C ATOM 896 CG MET A 59 -3.033 15.355 -13.017 1.00 74.14 C ATOM 897 SD MET A 59 -3.020 15.328 -14.820 1.00 61.12 S ATOM 898 CE MET A 59 -3.450 13.618 -15.137 1.00 33.04 C ATOM 0 H MET A 59 -2.118 17.159 -10.761 1.00 62.44 H new ATOM 0 HA MET A 59 -2.949 18.114 -13.412 1.00 43.13 H new ATOM 0 HB2 MET A 59 -4.239 16.175 -11.451 1.00 23.04 H new ATOM 0 HB3 MET A 59 -4.823 16.527 -13.065 1.00 23.04 H new ATOM 0 HG2 MET A 59 -2.015 15.494 -12.652 1.00 74.14 H new ATOM 0 HG3 MET A 59 -3.376 14.389 -12.645 1.00 74.14 H new ATOM 0 HE1 MET A 59 -3.482 13.444 -16.213 1.00 33.04 H new ATOM 0 HE2 MET A 59 -2.702 12.965 -14.686 1.00 33.04 H new ATOM 0 HE3 MET A 59 -4.427 13.403 -14.705 1.00 33.04 H new ATOM 908 N MET A 60 -3.803 19.561 -10.807 1.00 42.24 N ATOM 909 CA MET A 60 -4.639 20.588 -10.196 1.00 42.33 C ATOM 910 C MET A 60 -3.817 21.828 -9.857 1.00 25.34 C ATOM 911 O MET A 60 -2.671 21.960 -10.286 1.00 25.04 O ATOM 912 CB MET A 60 -5.310 20.045 -8.933 1.00 44.11 C ATOM 913 CG MET A 60 -6.016 18.716 -9.143 1.00 61.32 C ATOM 914 SD MET A 60 -7.550 18.883 -10.076 1.00 45.24 S ATOM 915 CE MET A 60 -7.647 17.275 -10.859 1.00 50.11 C ATOM 0 H MET A 60 -2.897 19.432 -10.357 1.00 42.24 H new ATOM 0 HA MET A 60 -5.409 20.870 -10.915 1.00 42.33 H new ATOM 0 HB2 MET A 60 -4.557 19.928 -8.153 1.00 44.11 H new ATOM 0 HB3 MET A 60 -6.032 20.777 -8.572 1.00 44.11 H new ATOM 0 HG2 MET A 60 -5.348 18.034 -9.669 1.00 61.32 H new ATOM 0 HG3 MET A 60 -6.232 18.267 -8.174 1.00 61.32 H new ATOM 0 HE1 MET A 60 -8.546 17.223 -11.473 1.00 50.11 H new ATOM 0 HE2 MET A 60 -6.769 17.123 -11.487 1.00 50.11 H new ATOM 0 HE3 MET A 60 -7.685 16.499 -10.094 1.00 50.11 H new ATOM 925 N VAL A 61 -4.411 22.733 -9.086 1.00 25.43 N ATOM 926 CA VAL A 61 -3.732 23.961 -8.689 1.00 11.25 C ATOM 927 C VAL A 61 -3.068 23.806 -7.325 1.00 24.32 C ATOM 928 O VAL A 61 -3.299 22.825 -6.617 1.00 22.31 O ATOM 929 CB VAL A 61 -4.709 25.151 -8.639 1.00 53.10 C ATOM 930 CG1 VAL A 61 -5.453 25.286 -9.958 1.00 71.43 C ATOM 931 CG2 VAL A 61 -5.683 24.991 -7.481 1.00 41.34 C ATOM 0 H VAL A 61 -5.360 22.639 -8.724 1.00 25.43 H new ATOM 0 HA VAL A 61 -2.968 24.158 -9.441 1.00 11.25 H new ATOM 0 HB VAL A 61 -4.136 26.064 -8.478 1.00 53.10 H new ATOM 0 HG11 VAL A 61 -6.139 26.132 -9.904 1.00 71.43 H new ATOM 0 HG12 VAL A 61 -4.738 25.449 -10.764 1.00 71.43 H new ATOM 0 HG13 VAL A 61 -6.017 24.374 -10.153 1.00 71.43 H new ATOM 0 HG21 VAL A 61 -6.366 25.840 -7.460 1.00 41.34 H new ATOM 0 HG22 VAL A 61 -6.252 24.070 -7.609 1.00 41.34 H new ATOM 0 HG23 VAL A 61 -5.129 24.948 -6.543 1.00 41.34 H new ATOM 941 N LYS A 62 -2.241 24.781 -6.961 1.00 34.43 N ATOM 942 CA LYS A 62 -1.544 24.755 -5.681 1.00 33.44 C ATOM 943 C LYS A 62 -2.534 24.682 -4.522 1.00 63.24 C ATOM 944 O LYS A 62 -2.516 23.752 -3.716 1.00 62.31 O ATOM 945 CB LYS A 62 -0.661 25.996 -5.533 1.00 22.32 C ATOM 946 CG LYS A 62 -0.508 26.466 -4.096 1.00 63.33 C ATOM 947 CD LYS A 62 0.627 27.466 -3.955 1.00 72.10 C ATOM 948 CE LYS A 62 0.688 28.044 -2.550 1.00 42.40 C ATOM 949 NZ LYS A 62 1.281 27.082 -1.579 1.00 54.40 N ATOM 0 H LYS A 62 -2.037 25.599 -7.535 1.00 34.43 H new ATOM 0 HA LYS A 62 -0.917 23.864 -5.656 1.00 33.44 H new ATOM 0 HB2 LYS A 62 0.326 25.781 -5.943 1.00 22.32 H new ATOM 0 HB3 LYS A 62 -1.084 26.805 -6.128 1.00 22.32 H new ATOM 0 HG2 LYS A 62 -1.439 26.922 -3.760 1.00 63.33 H new ATOM 0 HG3 LYS A 62 -0.321 25.608 -3.450 1.00 63.33 H new ATOM 0 HD2 LYS A 62 1.573 26.980 -4.191 1.00 72.10 H new ATOM 0 HD3 LYS A 62 0.495 28.273 -4.676 1.00 72.10 H new ATOM 0 HE2 LYS A 62 1.278 28.960 -2.560 1.00 42.40 H new ATOM 0 HE3 LYS A 62 -0.316 28.315 -2.225 1.00 42.40 H new ATOM 0 HZ1 LYS A 62 1.305 27.514 -0.633 1.00 54.40 H new ATOM 0 HZ2 LYS A 62 0.704 26.217 -1.550 1.00 54.40 H new ATOM 0 HZ3 LYS A 62 2.249 26.843 -1.875 1.00 54.40 H new ATOM 963 N PRO A 63 -3.421 25.684 -4.437 1.00 51.33 N ATOM 964 CA PRO A 63 -4.437 25.754 -3.382 1.00 51.23 C ATOM 965 C PRO A 63 -5.513 24.686 -3.542 1.00 20.34 C ATOM 966 O PRO A 63 -6.706 24.971 -3.436 1.00 21.45 O ATOM 967 CB PRO A 63 -5.039 27.150 -3.562 1.00 41.31 C ATOM 968 CG PRO A 63 -4.802 27.483 -4.995 1.00 42.10 C ATOM 969 CD PRO A 63 -3.500 26.826 -5.364 1.00 14.13 C ATOM 0 HA PRO A 63 -4.011 25.582 -2.394 1.00 51.23 H new ATOM 0 HB2 PRO A 63 -6.103 27.156 -3.325 1.00 41.31 H new ATOM 0 HB3 PRO A 63 -4.562 27.875 -2.903 1.00 41.31 H new ATOM 0 HG2 PRO A 63 -5.615 27.115 -5.621 1.00 42.10 H new ATOM 0 HG3 PRO A 63 -4.750 28.562 -5.141 1.00 42.10 H new ATOM 0 HD2 PRO A 63 -3.494 26.501 -6.404 1.00 14.13 H new ATOM 0 HD3 PRO A 63 -2.657 27.505 -5.238 1.00 14.13 H new ATOM 977 N PHE A 64 -5.084 23.454 -3.796 1.00 3.13 N ATOM 978 CA PHE A 64 -6.011 22.342 -3.971 1.00 12.23 C ATOM 979 C PHE A 64 -5.277 21.006 -3.899 1.00 53.44 C ATOM 980 O PHE A 64 -5.542 20.188 -3.019 1.00 71.22 O ATOM 981 CB PHE A 64 -6.742 22.465 -5.309 1.00 44.22 C ATOM 982 CG PHE A 64 -7.680 21.325 -5.587 1.00 3.13 C ATOM 983 CD1 PHE A 64 -7.210 20.142 -6.133 1.00 64.33 C ATOM 984 CD2 PHE A 64 -9.030 21.436 -5.301 1.00 13.21 C ATOM 985 CE1 PHE A 64 -8.070 19.091 -6.391 1.00 3.33 C ATOM 986 CE2 PHE A 64 -9.896 20.389 -5.556 1.00 32.13 C ATOM 987 CZ PHE A 64 -9.415 19.214 -6.100 1.00 41.54 C ATOM 0 H PHE A 64 -4.100 23.201 -3.885 1.00 3.13 H new ATOM 0 HA PHE A 64 -6.741 22.379 -3.162 1.00 12.23 H new ATOM 0 HB2 PHE A 64 -7.304 23.399 -5.322 1.00 44.22 H new ATOM 0 HB3 PHE A 64 -6.007 22.524 -6.112 1.00 44.22 H new ATOM 0 HD1 PHE A 64 -6.159 20.040 -6.360 1.00 64.33 H new ATOM 0 HD2 PHE A 64 -9.411 22.352 -4.874 1.00 13.21 H new ATOM 0 HE1 PHE A 64 -7.691 18.175 -6.819 1.00 3.33 H new ATOM 0 HE2 PHE A 64 -10.947 20.490 -5.330 1.00 32.13 H new ATOM 0 HZ PHE A 64 -10.089 18.393 -6.297 1.00 41.54 H new ATOM 997 N GLU A 65 -4.355 20.794 -4.833 1.00 34.23 N ATOM 998 CA GLU A 65 -3.585 19.556 -4.877 1.00 23.13 C ATOM 999 C GLU A 65 -2.923 19.280 -3.530 1.00 22.14 C ATOM 1000 O GLU A 65 -2.895 18.141 -3.062 1.00 1.55 O ATOM 1001 CB GLU A 65 -2.521 19.631 -5.974 1.00 24.43 C ATOM 1002 CG GLU A 65 -1.701 18.359 -6.114 1.00 11.21 C ATOM 1003 CD GLU A 65 -0.208 18.627 -6.142 1.00 55.13 C ATOM 1004 OE1 GLU A 65 0.292 19.078 -7.193 1.00 4.13 O ATOM 1005 OE2 GLU A 65 0.458 18.385 -5.114 1.00 55.50 O ATOM 0 H GLU A 65 -4.123 21.462 -5.568 1.00 34.23 H new ATOM 0 HA GLU A 65 -4.271 18.739 -5.100 1.00 23.13 H new ATOM 0 HB2 GLU A 65 -3.007 19.847 -6.926 1.00 24.43 H new ATOM 0 HB3 GLU A 65 -1.851 20.464 -5.762 1.00 24.43 H new ATOM 0 HG2 GLU A 65 -1.931 17.690 -5.285 1.00 11.21 H new ATOM 0 HG3 GLU A 65 -1.991 17.843 -7.029 1.00 11.21 H new ATOM 1012 N ASP A 66 -2.390 20.329 -2.913 1.00 34.43 N ATOM 1013 CA ASP A 66 -1.729 20.200 -1.619 1.00 64.23 C ATOM 1014 C ASP A 66 -2.669 19.587 -0.586 1.00 52.51 C ATOM 1015 O ASP A 66 -2.343 18.584 0.048 1.00 42.31 O ATOM 1016 CB ASP A 66 -1.239 21.565 -1.134 1.00 44.33 C ATOM 1017 CG ASP A 66 -0.319 21.458 0.067 1.00 55.34 C ATOM 1018 OD1 ASP A 66 -0.829 21.253 1.187 1.00 32.05 O ATOM 1019 OD2 ASP A 66 0.910 21.577 -0.116 1.00 4.44 O ATOM 0 H ASP A 66 -2.403 21.278 -3.288 1.00 34.43 H new ATOM 0 HA ASP A 66 -0.872 19.537 -1.742 1.00 64.23 H new ATOM 0 HB2 ASP A 66 -0.714 22.069 -1.946 1.00 44.33 H new ATOM 0 HB3 ASP A 66 -2.097 22.185 -0.876 1.00 44.33 H new ATOM 1024 N ALA A 67 -3.838 20.198 -0.422 1.00 61.01 N ATOM 1025 CA ALA A 67 -4.826 19.713 0.533 1.00 31.34 C ATOM 1026 C ALA A 67 -5.844 18.802 -0.145 1.00 42.24 C ATOM 1027 O ALA A 67 -7.011 18.762 0.243 1.00 54.33 O ATOM 1028 CB ALA A 67 -5.529 20.882 1.207 1.00 44.10 C ATOM 0 H ALA A 67 -4.124 21.030 -0.938 1.00 61.01 H new ATOM 0 HA ALA A 67 -4.304 19.131 1.292 1.00 31.34 H new ATOM 0 HB1 ALA A 67 -6.264 20.504 1.918 1.00 44.10 H new ATOM 0 HB2 ALA A 67 -4.796 21.493 1.734 1.00 44.10 H new ATOM 0 HB3 ALA A 67 -6.031 21.488 0.453 1.00 44.10 H new ATOM 1034 N ALA A 68 -5.394 18.072 -1.161 1.00 2.34 N ATOM 1035 CA ALA A 68 -6.265 17.161 -1.892 1.00 75.10 C ATOM 1036 C ALA A 68 -5.994 15.712 -1.505 1.00 24.22 C ATOM 1037 O ALA A 68 -6.866 14.852 -1.624 1.00 54.20 O ATOM 1038 CB ALA A 68 -6.089 17.351 -3.391 1.00 41.30 C ATOM 0 H ALA A 68 -4.431 18.094 -1.496 1.00 2.34 H new ATOM 0 HA ALA A 68 -7.296 17.393 -1.626 1.00 75.10 H new ATOM 0 HB1 ALA A 68 -6.746 16.664 -3.924 1.00 41.30 H new ATOM 0 HB2 ALA A 68 -6.341 18.377 -3.660 1.00 41.30 H new ATOM 0 HB3 ALA A 68 -5.053 17.149 -3.664 1.00 41.30 H new ATOM 1044 N PHE A 69 -4.776 15.446 -1.042 1.00 12.13 N ATOM 1045 CA PHE A 69 -4.388 14.100 -0.638 1.00 75.30 C ATOM 1046 C PHE A 69 -4.067 14.049 0.852 1.00 11.15 C ATOM 1047 O PHE A 69 -3.872 12.976 1.422 1.00 35.44 O ATOM 1048 CB PHE A 69 -3.177 13.631 -1.448 1.00 75.00 C ATOM 1049 CG PHE A 69 -2.131 14.692 -1.631 1.00 21.04 C ATOM 1050 CD1 PHE A 69 -1.495 15.251 -0.534 1.00 43.21 C ATOM 1051 CD2 PHE A 69 -1.784 15.131 -2.898 1.00 23.23 C ATOM 1052 CE1 PHE A 69 -0.530 16.228 -0.698 1.00 60.33 C ATOM 1053 CE2 PHE A 69 -0.819 16.106 -3.068 1.00 55.50 C ATOM 1054 CZ PHE A 69 -0.193 16.657 -1.967 1.00 33.45 C ATOM 0 H PHE A 69 -4.041 16.146 -0.938 1.00 12.13 H new ATOM 0 HA PHE A 69 -5.228 13.434 -0.833 1.00 75.30 H new ATOM 0 HB2 PHE A 69 -2.728 12.771 -0.950 1.00 75.00 H new ATOM 0 HB3 PHE A 69 -3.514 13.292 -2.427 1.00 75.00 H new ATOM 0 HD1 PHE A 69 -1.756 14.920 0.460 1.00 43.21 H new ATOM 0 HD2 PHE A 69 -2.273 14.707 -3.763 1.00 23.23 H new ATOM 0 HE1 PHE A 69 -0.041 16.655 0.165 1.00 60.33 H new ATOM 0 HE2 PHE A 69 -0.555 16.437 -4.061 1.00 55.50 H new ATOM 0 HZ PHE A 69 0.558 17.422 -2.098 1.00 33.45 H new ATOM 1064 N LYS A 70 -4.012 15.219 1.479 1.00 53.30 N ATOM 1065 CA LYS A 70 -3.716 15.312 2.904 1.00 14.13 C ATOM 1066 C LYS A 70 -4.907 14.851 3.739 1.00 4.41 C ATOM 1067 O LYS A 70 -4.792 14.658 4.950 1.00 43.52 O ATOM 1068 CB LYS A 70 -3.343 16.748 3.277 1.00 54.31 C ATOM 1069 CG LYS A 70 -2.014 17.201 2.698 1.00 12.35 C ATOM 1070 CD LYS A 70 -1.808 18.696 2.880 1.00 42.40 C ATOM 1071 CE LYS A 70 -1.863 19.093 4.346 1.00 35.24 C ATOM 1072 NZ LYS A 70 -0.805 18.415 5.146 1.00 73.43 N ATOM 0 H LYS A 70 -4.169 16.117 1.022 1.00 53.30 H new ATOM 0 HA LYS A 70 -2.871 14.657 3.117 1.00 14.13 H new ATOM 0 HB2 LYS A 70 -4.128 17.420 2.931 1.00 54.31 H new ATOM 0 HB3 LYS A 70 -3.305 16.834 4.363 1.00 54.31 H new ATOM 0 HG2 LYS A 70 -1.201 16.659 3.182 1.00 12.35 H new ATOM 0 HG3 LYS A 70 -1.975 16.954 1.637 1.00 12.35 H new ATOM 0 HD2 LYS A 70 -0.845 18.985 2.460 1.00 42.40 H new ATOM 0 HD3 LYS A 70 -2.573 19.240 2.326 1.00 42.40 H new ATOM 0 HE2 LYS A 70 -1.748 20.173 4.434 1.00 35.24 H new ATOM 0 HE3 LYS A 70 -2.842 18.842 4.753 1.00 35.24 H new ATOM 0 HZ1 LYS A 70 -0.789 18.812 6.107 1.00 73.43 H new ATOM 0 HZ2 LYS A 70 -1.007 17.396 5.196 1.00 73.43 H new ATOM 0 HZ3 LYS A 70 0.120 18.563 4.695 1.00 73.43 H new ATOM 1086 N LEU A 71 -6.049 14.675 3.085 1.00 73.04 N ATOM 1087 CA LEU A 71 -7.262 14.236 3.766 1.00 63.13 C ATOM 1088 C LEU A 71 -7.232 12.731 4.013 1.00 74.03 C ATOM 1089 O LEU A 71 -6.368 12.025 3.495 1.00 24.11 O ATOM 1090 CB LEU A 71 -8.496 14.604 2.942 1.00 51.44 C ATOM 1091 CG LEU A 71 -8.466 15.975 2.266 1.00 54.30 C ATOM 1092 CD1 LEU A 71 -9.529 16.058 1.180 1.00 44.21 C ATOM 1093 CD2 LEU A 71 -8.664 17.081 3.292 1.00 1.55 C ATOM 0 H LEU A 71 -6.161 14.830 2.083 1.00 73.04 H new ATOM 0 HA LEU A 71 -7.312 14.744 4.729 1.00 63.13 H new ATOM 0 HB2 LEU A 71 -8.634 13.844 2.173 1.00 51.44 H new ATOM 0 HB3 LEU A 71 -9.369 14.561 3.593 1.00 51.44 H new ATOM 0 HG LEU A 71 -7.489 16.108 1.802 1.00 54.30 H new ATOM 0 HD11 LEU A 71 -9.493 17.041 0.710 1.00 44.21 H new ATOM 0 HD12 LEU A 71 -9.343 15.290 0.430 1.00 44.21 H new ATOM 0 HD13 LEU A 71 -10.513 15.903 1.622 1.00 44.21 H new ATOM 0 HD21 LEU A 71 -8.640 18.049 2.792 1.00 1.55 H new ATOM 0 HD22 LEU A 71 -9.627 16.951 3.785 1.00 1.55 H new ATOM 0 HD23 LEU A 71 -7.867 17.036 4.034 1.00 1.55 H new ATOM 1105 N GLN A 72 -8.183 12.247 4.805 1.00 33.14 N ATOM 1106 CA GLN A 72 -8.266 10.826 5.119 1.00 72.43 C ATOM 1107 C GLN A 72 -9.354 10.149 4.292 1.00 21.44 C ATOM 1108 O GLN A 72 -10.136 10.813 3.612 1.00 72.13 O ATOM 1109 CB GLN A 72 -8.544 10.626 6.610 1.00 51.11 C ATOM 1110 CG GLN A 72 -7.738 9.499 7.233 1.00 0.35 C ATOM 1111 CD GLN A 72 -7.858 9.461 8.745 1.00 55.33 C ATOM 1112 OE1 GLN A 72 -6.880 9.668 9.462 1.00 31.44 O ATOM 1113 NE2 GLN A 72 -9.064 9.198 9.236 1.00 20.02 N ATOM 0 H GLN A 72 -8.907 12.818 5.241 1.00 33.14 H new ATOM 0 HA GLN A 72 -7.308 10.369 4.871 1.00 72.43 H new ATOM 0 HB2 GLN A 72 -8.326 11.553 7.139 1.00 51.11 H new ATOM 0 HB3 GLN A 72 -9.606 10.422 6.749 1.00 51.11 H new ATOM 0 HG2 GLN A 72 -8.074 8.547 6.822 1.00 0.35 H new ATOM 0 HG3 GLN A 72 -6.689 9.613 6.958 1.00 0.35 H new ATOM 0 HE21 GLN A 72 -9.847 9.033 8.604 1.00 20.02 H new ATOM 0 HE22 GLN A 72 -9.207 9.162 10.245 1.00 20.02 H new ATOM 1122 N VAL A 73 -9.398 8.822 4.354 1.00 34.41 N ATOM 1123 CA VAL A 73 -10.391 8.054 3.612 1.00 64.22 C ATOM 1124 C VAL A 73 -11.807 8.466 3.998 1.00 1.35 C ATOM 1125 O VAL A 73 -12.313 8.075 5.049 1.00 22.35 O ATOM 1126 CB VAL A 73 -10.225 6.541 3.851 1.00 2.12 C ATOM 1127 CG1 VAL A 73 -10.125 6.244 5.339 1.00 34.03 C ATOM 1128 CG2 VAL A 73 -11.376 5.773 3.221 1.00 61.00 C ATOM 0 H VAL A 73 -8.757 8.256 4.911 1.00 34.41 H new ATOM 0 HA VAL A 73 -10.229 8.267 2.555 1.00 64.22 H new ATOM 0 HB VAL A 73 -9.299 6.215 3.377 1.00 2.12 H new ATOM 0 HG11 VAL A 73 -10.008 5.171 5.489 1.00 34.03 H new ATOM 0 HG12 VAL A 73 -9.263 6.765 5.757 1.00 34.03 H new ATOM 0 HG13 VAL A 73 -11.032 6.584 5.840 1.00 34.03 H new ATOM 0 HG21 VAL A 73 -11.242 4.706 3.400 1.00 61.00 H new ATOM 0 HG22 VAL A 73 -12.317 6.100 3.663 1.00 61.00 H new ATOM 0 HG23 VAL A 73 -11.395 5.962 2.148 1.00 61.00 H new ATOM 1138 N GLY A 74 -12.442 9.260 3.140 1.00 22.42 N ATOM 1139 CA GLY A 74 -13.794 9.712 3.410 1.00 20.11 C ATOM 1140 C GLY A 74 -13.827 10.963 4.264 1.00 41.44 C ATOM 1141 O GLY A 74 -14.820 11.236 4.936 1.00 14.53 O ATOM 0 H GLY A 74 -12.044 9.598 2.264 1.00 22.42 H new ATOM 0 HA2 GLY A 74 -14.304 9.906 2.467 1.00 20.11 H new ATOM 0 HA3 GLY A 74 -14.346 8.918 3.913 1.00 20.11 H new ATOM 1145 N GLU A 75 -12.738 11.726 4.236 1.00 74.02 N ATOM 1146 CA GLU A 75 -12.647 12.955 5.016 1.00 72.40 C ATOM 1147 C GLU A 75 -12.787 14.181 4.118 1.00 24.34 C ATOM 1148 O GLU A 75 -12.247 14.218 3.012 1.00 51.10 O ATOM 1149 CB GLU A 75 -11.316 13.008 5.770 1.00 51.44 C ATOM 1150 CG GLU A 75 -11.473 13.195 7.269 1.00 32.21 C ATOM 1151 CD GLU A 75 -11.752 11.891 7.993 1.00 40.32 C ATOM 1152 OE1 GLU A 75 -12.265 10.953 7.347 1.00 40.44 O ATOM 1153 OE2 GLU A 75 -11.458 11.809 9.203 1.00 23.22 O ATOM 0 H GLU A 75 -11.908 11.515 3.682 1.00 74.02 H new ATOM 0 HA GLU A 75 -13.465 12.960 5.737 1.00 72.40 H new ATOM 0 HB2 GLU A 75 -10.765 12.086 5.583 1.00 51.44 H new ATOM 0 HB3 GLU A 75 -10.715 13.825 5.371 1.00 51.44 H new ATOM 0 HG2 GLU A 75 -10.565 13.643 7.673 1.00 32.21 H new ATOM 0 HG3 GLU A 75 -12.287 13.894 7.461 1.00 32.21 H new ATOM 1160 N VAL A 76 -13.514 15.182 4.602 1.00 33.35 N ATOM 1161 CA VAL A 76 -13.724 16.410 3.845 1.00 75.01 C ATOM 1162 C VAL A 76 -12.675 17.458 4.196 1.00 52.52 C ATOM 1163 O VAL A 76 -12.294 17.606 5.357 1.00 13.14 O ATOM 1164 CB VAL A 76 -15.126 16.995 4.103 1.00 11.52 C ATOM 1165 CG1 VAL A 76 -15.311 18.295 3.337 1.00 4.51 C ATOM 1166 CG2 VAL A 76 -16.202 15.987 3.728 1.00 44.11 C ATOM 0 H VAL A 76 -13.968 15.167 5.515 1.00 33.35 H new ATOM 0 HA VAL A 76 -13.635 16.151 2.790 1.00 75.01 H new ATOM 0 HB VAL A 76 -15.220 17.212 5.167 1.00 11.52 H new ATOM 0 HG11 VAL A 76 -16.307 18.693 3.531 1.00 4.51 H new ATOM 0 HG12 VAL A 76 -14.562 19.018 3.660 1.00 4.51 H new ATOM 0 HG13 VAL A 76 -15.197 18.108 2.269 1.00 4.51 H new ATOM 0 HG21 VAL A 76 -17.185 16.417 3.917 1.00 44.11 H new ATOM 0 HG22 VAL A 76 -16.113 15.736 2.671 1.00 44.11 H new ATOM 0 HG23 VAL A 76 -16.080 15.085 4.327 1.00 44.11 H new ATOM 1176 N SER A 77 -12.211 18.184 3.184 1.00 42.43 N ATOM 1177 CA SER A 77 -11.202 19.218 3.385 1.00 61.04 C ATOM 1178 C SER A 77 -11.845 20.523 3.844 1.00 12.22 C ATOM 1179 O SER A 77 -13.010 20.547 4.239 1.00 35.34 O ATOM 1180 CB SER A 77 -10.417 19.451 2.092 1.00 4.22 C ATOM 1181 OG SER A 77 -9.198 20.127 2.351 1.00 74.04 O ATOM 0 H SER A 77 -12.517 18.076 2.217 1.00 42.43 H new ATOM 0 HA SER A 77 -10.518 18.877 4.162 1.00 61.04 H new ATOM 0 HB2 SER A 77 -10.211 18.495 1.610 1.00 4.22 H new ATOM 0 HB3 SER A 77 -11.020 20.035 1.397 1.00 4.22 H new ATOM 0 HG SER A 77 -8.714 20.263 1.510 1.00 74.04 H new ATOM 1187 N GLU A 78 -11.076 21.606 3.790 1.00 72.42 N ATOM 1188 CA GLU A 78 -11.571 22.914 4.202 1.00 42.34 C ATOM 1189 C GLU A 78 -11.802 23.815 2.991 1.00 23.20 C ATOM 1190 O GLU A 78 -11.303 23.562 1.894 1.00 64.12 O ATOM 1191 CB GLU A 78 -10.582 23.578 5.163 1.00 34.31 C ATOM 1192 CG GLU A 78 -9.136 23.179 4.920 1.00 11.44 C ATOM 1193 CD GLU A 78 -8.176 23.863 5.874 1.00 24.04 C ATOM 1194 OE1 GLU A 78 -8.404 25.048 6.198 1.00 34.23 O ATOM 1195 OE2 GLU A 78 -7.195 23.214 6.296 1.00 41.52 O ATOM 0 H GLU A 78 -10.109 21.603 3.465 1.00 72.42 H new ATOM 0 HA GLU A 78 -12.523 22.769 4.713 1.00 42.34 H new ATOM 0 HB2 GLU A 78 -10.672 24.661 5.072 1.00 34.31 H new ATOM 0 HB3 GLU A 78 -10.854 23.320 6.187 1.00 34.31 H new ATOM 0 HG2 GLU A 78 -9.038 22.098 5.024 1.00 11.44 H new ATOM 0 HG3 GLU A 78 -8.862 23.426 3.894 1.00 11.44 H new ATOM 1202 N PRO A 79 -12.576 24.891 3.194 1.00 62.23 N ATOM 1203 CA PRO A 79 -12.890 25.851 2.132 1.00 52.14 C ATOM 1204 C PRO A 79 -11.678 26.680 1.720 1.00 24.41 C ATOM 1205 O PRO A 79 -11.489 27.799 2.197 1.00 22.40 O ATOM 1206 CB PRO A 79 -13.958 26.745 2.766 1.00 33.21 C ATOM 1207 CG PRO A 79 -13.710 26.649 4.232 1.00 73.01 C ATOM 1208 CD PRO A 79 -13.203 25.254 4.475 1.00 3.52 C ATOM 0 HA PRO A 79 -13.217 25.354 1.219 1.00 52.14 H new ATOM 0 HB2 PRO A 79 -13.872 27.774 2.416 1.00 33.21 H new ATOM 0 HB3 PRO A 79 -14.962 26.405 2.511 1.00 33.21 H new ATOM 0 HG2 PRO A 79 -12.980 27.391 4.554 1.00 73.01 H new ATOM 0 HG3 PRO A 79 -14.624 26.836 4.796 1.00 73.01 H new ATOM 0 HD2 PRO A 79 -12.486 25.224 5.296 1.00 3.52 H new ATOM 0 HD3 PRO A 79 -14.013 24.572 4.734 1.00 3.52 H new ATOM 1216 N ILE A 80 -10.860 26.122 0.832 1.00 32.14 N ATOM 1217 CA ILE A 80 -9.667 26.811 0.357 1.00 35.02 C ATOM 1218 C ILE A 80 -10.025 27.895 -0.655 1.00 61.03 C ATOM 1219 O ILE A 80 -10.443 27.600 -1.774 1.00 44.54 O ATOM 1220 CB ILE A 80 -8.671 25.830 -0.288 1.00 60.34 C ATOM 1221 CG1 ILE A 80 -8.476 24.605 0.606 1.00 62.11 C ATOM 1222 CG2 ILE A 80 -7.340 26.520 -0.548 1.00 0.45 C ATOM 1223 CD1 ILE A 80 -7.845 24.927 1.942 1.00 24.33 C ATOM 0 H ILE A 80 -11.002 25.196 0.428 1.00 32.14 H new ATOM 0 HA ILE A 80 -9.199 27.271 1.228 1.00 35.02 H new ATOM 0 HB ILE A 80 -9.078 25.498 -1.243 1.00 60.34 H new ATOM 0 HG12 ILE A 80 -9.443 24.131 0.775 1.00 62.11 H new ATOM 0 HG13 ILE A 80 -7.852 23.880 0.084 1.00 62.11 H new ATOM 0 HG21 ILE A 80 -6.647 25.813 -1.004 1.00 0.45 H new ATOM 0 HG22 ILE A 80 -7.493 27.364 -1.221 1.00 0.45 H new ATOM 0 HG23 ILE A 80 -6.925 26.878 0.394 1.00 0.45 H new ATOM 0 HD11 ILE A 80 -7.737 24.011 2.523 1.00 24.33 H new ATOM 0 HD12 ILE A 80 -6.864 25.374 1.783 1.00 24.33 H new ATOM 0 HD13 ILE A 80 -8.479 25.628 2.484 1.00 24.33 H new ATOM 1235 N LYS A 81 -9.855 29.150 -0.254 1.00 53.11 N ATOM 1236 CA LYS A 81 -10.157 30.279 -1.126 1.00 22.04 C ATOM 1237 C LYS A 81 -9.106 30.416 -2.222 1.00 21.11 C ATOM 1238 O LYS A 81 -7.942 30.712 -1.947 1.00 34.41 O ATOM 1239 CB LYS A 81 -10.230 31.573 -0.311 1.00 72.12 C ATOM 1240 CG LYS A 81 -10.774 32.755 -1.095 1.00 72.01 C ATOM 1241 CD LYS A 81 -12.122 33.207 -0.559 1.00 32.00 C ATOM 1242 CE LYS A 81 -12.656 34.403 -1.332 1.00 74.33 C ATOM 1243 NZ LYS A 81 -12.757 34.120 -2.791 1.00 63.25 N ATOM 0 H LYS A 81 -9.510 29.411 0.670 1.00 53.11 H new ATOM 0 HA LYS A 81 -11.124 30.096 -1.595 1.00 22.04 H new ATOM 0 HB2 LYS A 81 -10.859 31.407 0.563 1.00 72.12 H new ATOM 0 HB3 LYS A 81 -9.233 31.818 0.056 1.00 72.12 H new ATOM 0 HG2 LYS A 81 -10.066 33.582 -1.046 1.00 72.01 H new ATOM 0 HG3 LYS A 81 -10.872 32.482 -2.146 1.00 72.01 H new ATOM 0 HD2 LYS A 81 -12.834 32.384 -0.622 1.00 32.00 H new ATOM 0 HD3 LYS A 81 -12.027 33.467 0.495 1.00 32.00 H new ATOM 0 HE2 LYS A 81 -13.638 34.676 -0.946 1.00 74.33 H new ATOM 0 HE3 LYS A 81 -12.002 35.260 -1.173 1.00 74.33 H new ATOM 0 HZ1 LYS A 81 -13.336 34.853 -3.248 1.00 63.25 H new ATOM 0 HZ2 LYS A 81 -11.806 34.119 -3.211 1.00 63.25 H new ATOM 0 HZ3 LYS A 81 -13.200 33.190 -2.934 1.00 63.25 H new ATOM 1257 N SER A 82 -9.523 30.199 -3.465 1.00 44.24 N ATOM 1258 CA SER A 82 -8.616 30.296 -4.603 1.00 63.33 C ATOM 1259 C SER A 82 -9.240 31.117 -5.728 1.00 33.03 C ATOM 1260 O SER A 82 -10.323 31.680 -5.570 1.00 53.24 O ATOM 1261 CB SER A 82 -8.256 28.900 -5.116 1.00 21.11 C ATOM 1262 OG SER A 82 -7.123 28.946 -5.967 1.00 34.32 O ATOM 0 H SER A 82 -10.483 29.955 -3.710 1.00 44.24 H new ATOM 0 HA SER A 82 -7.708 30.799 -4.270 1.00 63.33 H new ATOM 0 HB2 SER A 82 -8.055 28.240 -4.272 1.00 21.11 H new ATOM 0 HB3 SER A 82 -9.103 28.478 -5.656 1.00 21.11 H new ATOM 0 HG SER A 82 -7.190 28.236 -6.639 1.00 34.32 H new ATOM 1268 N GLU A 83 -8.549 31.180 -6.861 1.00 51.21 N ATOM 1269 CA GLU A 83 -9.035 31.933 -8.011 1.00 64.04 C ATOM 1270 C GLU A 83 -10.424 31.458 -8.424 1.00 74.25 C ATOM 1271 O GLU A 83 -11.201 32.211 -9.014 1.00 30.01 O ATOM 1272 CB GLU A 83 -8.066 31.794 -9.186 1.00 62.23 C ATOM 1273 CG GLU A 83 -7.984 30.382 -9.743 1.00 44.23 C ATOM 1274 CD GLU A 83 -6.631 30.073 -10.354 1.00 25.12 C ATOM 1275 OE1 GLU A 83 -5.646 29.968 -9.593 1.00 11.31 O ATOM 1276 OE2 GLU A 83 -6.557 29.935 -11.592 1.00 62.02 O ATOM 0 H GLU A 83 -7.651 30.719 -7.007 1.00 51.21 H new ATOM 0 HA GLU A 83 -9.099 32.983 -7.725 1.00 64.04 H new ATOM 0 HB2 GLU A 83 -8.373 32.472 -9.982 1.00 62.23 H new ATOM 0 HB3 GLU A 83 -7.072 32.108 -8.866 1.00 62.23 H new ATOM 0 HG2 GLU A 83 -8.190 29.668 -8.945 1.00 44.23 H new ATOM 0 HG3 GLU A 83 -8.759 30.248 -10.498 1.00 44.23 H new ATOM 1283 N PHE A 84 -10.732 30.204 -8.111 1.00 13.24 N ATOM 1284 CA PHE A 84 -12.027 29.627 -8.450 1.00 74.24 C ATOM 1285 C PHE A 84 -12.993 29.725 -7.272 1.00 70.24 C ATOM 1286 O PHE A 84 -14.204 29.582 -7.434 1.00 31.11 O ATOM 1287 CB PHE A 84 -11.864 28.164 -8.868 1.00 62.25 C ATOM 1288 CG PHE A 84 -10.791 27.952 -9.897 1.00 65.41 C ATOM 1289 CD1 PHE A 84 -10.829 28.623 -11.108 1.00 74.14 C ATOM 1290 CD2 PHE A 84 -9.742 27.079 -9.653 1.00 2.33 C ATOM 1291 CE1 PHE A 84 -9.842 28.429 -12.057 1.00 2.53 C ATOM 1292 CE2 PHE A 84 -8.751 26.882 -10.596 1.00 12.21 C ATOM 1293 CZ PHE A 84 -8.803 27.557 -11.801 1.00 1.12 C ATOM 0 H PHE A 84 -10.102 29.568 -7.623 1.00 13.24 H new ATOM 0 HA PHE A 84 -12.440 30.193 -9.285 1.00 74.24 H new ATOM 0 HB2 PHE A 84 -11.634 27.566 -7.986 1.00 62.25 H new ATOM 0 HB3 PHE A 84 -12.812 27.799 -9.263 1.00 62.25 H new ATOM 0 HD1 PHE A 84 -11.640 29.306 -11.314 1.00 74.14 H new ATOM 0 HD2 PHE A 84 -9.699 26.546 -8.714 1.00 2.33 H new ATOM 0 HE1 PHE A 84 -9.884 28.959 -12.997 1.00 2.53 H new ATOM 0 HE2 PHE A 84 -7.937 26.202 -10.392 1.00 12.21 H new ATOM 0 HZ PHE A 84 -8.032 27.402 -12.541 1.00 1.12 H new ATOM 1303 N GLY A 85 -12.445 29.971 -6.086 1.00 33.40 N ATOM 1304 CA GLY A 85 -13.271 30.084 -4.897 1.00 73.42 C ATOM 1305 C GLY A 85 -12.911 29.057 -3.842 1.00 12.50 C ATOM 1306 O GLY A 85 -11.769 28.603 -3.771 1.00 64.14 O ATOM 0 H GLY A 85 -11.445 30.094 -5.927 1.00 33.40 H new ATOM 0 HA2 GLY A 85 -13.164 31.084 -4.478 1.00 73.42 H new ATOM 0 HA3 GLY A 85 -14.319 29.965 -5.173 1.00 73.42 H new ATOM 1310 N TYR A 86 -13.887 28.692 -3.018 1.00 20.02 N ATOM 1311 CA TYR A 86 -13.666 27.715 -1.957 1.00 41.34 C ATOM 1312 C TYR A 86 -13.665 26.295 -2.516 1.00 4.52 C ATOM 1313 O TYR A 86 -14.640 25.853 -3.122 1.00 75.15 O ATOM 1314 CB TYR A 86 -14.743 27.849 -0.880 1.00 4.33 C ATOM 1315 CG TYR A 86 -14.701 29.169 -0.143 1.00 3.22 C ATOM 1316 CD1 TYR A 86 -13.573 29.554 0.573 1.00 73.43 C ATOM 1317 CD2 TYR A 86 -15.789 30.034 -0.164 1.00 20.42 C ATOM 1318 CE1 TYR A 86 -13.531 30.758 1.247 1.00 3.20 C ATOM 1319 CE2 TYR A 86 -15.755 31.241 0.508 1.00 63.05 C ATOM 1320 CZ TYR A 86 -14.624 31.598 1.212 1.00 71.02 C ATOM 1321 OH TYR A 86 -14.585 32.799 1.881 1.00 0.51 O ATOM 0 H TYR A 86 -14.838 29.057 -3.064 1.00 20.02 H new ATOM 0 HA TYR A 86 -12.690 27.913 -1.513 1.00 41.34 H new ATOM 0 HB2 TYR A 86 -15.723 27.731 -1.342 1.00 4.33 H new ATOM 0 HB3 TYR A 86 -14.629 27.037 -0.161 1.00 4.33 H new ATOM 0 HD1 TYR A 86 -12.714 28.899 0.602 1.00 73.43 H new ATOM 0 HD2 TYR A 86 -16.676 29.758 -0.715 1.00 20.42 H new ATOM 0 HE1 TYR A 86 -12.647 31.041 1.799 1.00 3.20 H new ATOM 0 HE2 TYR A 86 -16.609 31.901 0.482 1.00 63.05 H new ATOM 0 HH TYR A 86 -15.434 33.272 1.755 1.00 0.51 H new ATOM 1331 N HIS A 87 -12.560 25.585 -2.307 1.00 40.32 N ATOM 1332 CA HIS A 87 -12.430 24.215 -2.788 1.00 42.15 C ATOM 1333 C HIS A 87 -12.694 23.217 -1.665 1.00 13.44 C ATOM 1334 O HIS A 87 -12.053 23.266 -0.614 1.00 73.13 O ATOM 1335 CB HIS A 87 -11.034 23.987 -3.370 1.00 74.42 C ATOM 1336 CG HIS A 87 -10.826 24.641 -4.701 1.00 74.35 C ATOM 1337 ND1 HIS A 87 -10.997 23.980 -5.900 1.00 24.24 N ATOM 1338 CD2 HIS A 87 -10.461 25.905 -5.019 1.00 63.25 C ATOM 1339 CE1 HIS A 87 -10.744 24.807 -6.896 1.00 50.53 C ATOM 1340 NE2 HIS A 87 -10.416 25.983 -6.390 1.00 32.21 N ATOM 0 H HIS A 87 -11.743 25.936 -1.808 1.00 40.32 H new ATOM 0 HA HIS A 87 -13.172 24.059 -3.571 1.00 42.15 H new ATOM 0 HB2 HIS A 87 -10.291 24.365 -2.668 1.00 74.42 H new ATOM 0 HB3 HIS A 87 -10.862 22.915 -3.470 1.00 74.42 H new ATOM 0 HD1 HIS A 87 -11.276 23.004 -6.001 1.00 24.24 H new ATOM 0 HD2 HIS A 87 -10.245 26.703 -4.324 1.00 63.25 H new ATOM 0 HE1 HIS A 87 -10.796 24.564 -7.947 1.00 50.53 H new ATOM 1348 N ILE A 88 -13.644 22.315 -1.892 1.00 42.42 N ATOM 1349 CA ILE A 88 -13.993 21.307 -0.899 1.00 64.05 C ATOM 1350 C ILE A 88 -13.656 19.906 -1.398 1.00 23.42 C ATOM 1351 O ILE A 88 -14.501 19.222 -1.976 1.00 40.15 O ATOM 1352 CB ILE A 88 -15.488 21.367 -0.538 1.00 60.42 C ATOM 1353 CG1 ILE A 88 -15.849 22.749 0.008 1.00 54.21 C ATOM 1354 CG2 ILE A 88 -15.832 20.284 0.474 1.00 1.30 C ATOM 1355 CD1 ILE A 88 -15.142 23.091 1.301 1.00 24.12 C ATOM 0 H ILE A 88 -14.185 22.262 -2.755 1.00 42.42 H new ATOM 0 HA ILE A 88 -13.405 21.524 -0.007 1.00 64.05 H new ATOM 0 HB ILE A 88 -16.072 21.191 -1.441 1.00 60.42 H new ATOM 0 HG12 ILE A 88 -15.604 23.502 -0.741 1.00 54.21 H new ATOM 0 HG13 ILE A 88 -16.926 22.798 0.168 1.00 54.21 H new ATOM 0 HG21 ILE A 88 -16.893 20.339 0.720 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -15.608 19.305 0.050 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -15.242 20.431 1.379 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -15.446 24.085 1.630 1.00 24.12 H new ATOM 0 HD12 ILE A 88 -15.406 22.360 2.065 1.00 24.12 H new ATOM 0 HD13 ILE A 88 -14.064 23.075 1.141 1.00 24.12 H new ATOM 1367 N ILE A 89 -12.417 19.483 -1.168 1.00 60.40 N ATOM 1368 CA ILE A 89 -11.971 18.162 -1.590 1.00 41.14 C ATOM 1369 C ILE A 89 -12.389 17.092 -0.587 1.00 13.24 C ATOM 1370 O ILE A 89 -12.343 17.310 0.624 1.00 31.21 O ATOM 1371 CB ILE A 89 -10.441 18.114 -1.766 1.00 55.21 C ATOM 1372 CG1 ILE A 89 -9.955 19.348 -2.530 1.00 32.14 C ATOM 1373 CG2 ILE A 89 -10.031 16.841 -2.491 1.00 60.11 C ATOM 1374 CD1 ILE A 89 -9.243 20.356 -1.657 1.00 2.35 C ATOM 0 H ILE A 89 -11.705 20.037 -0.692 1.00 60.40 H new ATOM 0 HA ILE A 89 -12.447 17.961 -2.550 1.00 41.14 H new ATOM 0 HB ILE A 89 -9.976 18.113 -0.780 1.00 55.21 H new ATOM 0 HG12 ILE A 89 -9.283 19.031 -3.327 1.00 32.14 H new ATOM 0 HG13 ILE A 89 -10.809 19.830 -3.006 1.00 32.14 H new ATOM 0 HG21 ILE A 89 -8.947 16.822 -2.608 1.00 60.11 H new ATOM 0 HG22 ILE A 89 -10.349 15.974 -1.912 1.00 60.11 H new ATOM 0 HG23 ILE A 89 -10.502 16.814 -3.473 1.00 60.11 H new ATOM 0 HD11 ILE A 89 -8.926 21.204 -2.264 1.00 2.35 H new ATOM 0 HD12 ILE A 89 -9.919 20.702 -0.875 1.00 2.35 H new ATOM 0 HD13 ILE A 89 -8.369 19.890 -1.201 1.00 2.35 H new ATOM 1386 N LYS A 90 -12.795 15.936 -1.098 1.00 33.11 N ATOM 1387 CA LYS A 90 -13.219 14.830 -0.248 1.00 21.05 C ATOM 1388 C LYS A 90 -12.728 13.497 -0.803 1.00 61.10 C ATOM 1389 O LYS A 90 -13.089 13.105 -1.913 1.00 62.02 O ATOM 1390 CB LYS A 90 -14.745 14.811 -0.123 1.00 24.32 C ATOM 1391 CG LYS A 90 -15.270 13.681 0.746 1.00 64.44 C ATOM 1392 CD LYS A 90 -16.755 13.450 0.523 1.00 13.50 C ATOM 1393 CE LYS A 90 -17.197 12.100 1.063 1.00 21.43 C ATOM 1394 NZ LYS A 90 -18.543 11.713 0.559 1.00 73.03 N ATOM 0 H LYS A 90 -12.840 15.740 -2.098 1.00 33.11 H new ATOM 0 HA LYS A 90 -12.781 14.976 0.739 1.00 21.05 H new ATOM 0 HB2 LYS A 90 -15.079 15.762 0.291 1.00 24.32 H new ATOM 0 HB3 LYS A 90 -15.182 14.726 -1.118 1.00 24.32 H new ATOM 0 HG2 LYS A 90 -14.721 12.766 0.525 1.00 64.44 H new ATOM 0 HG3 LYS A 90 -15.091 13.914 1.796 1.00 64.44 H new ATOM 0 HD2 LYS A 90 -17.324 14.242 1.010 1.00 13.50 H new ATOM 0 HD3 LYS A 90 -16.977 13.507 -0.543 1.00 13.50 H new ATOM 0 HE2 LYS A 90 -16.470 11.339 0.778 1.00 21.43 H new ATOM 0 HE3 LYS A 90 -17.213 12.133 2.152 1.00 21.43 H new ATOM 0 HZ1 LYS A 90 -18.722 10.713 0.780 1.00 73.03 H new ATOM 0 HZ2 LYS A 90 -19.268 12.303 1.015 1.00 73.03 H new ATOM 0 HZ3 LYS A 90 -18.581 11.853 -0.471 1.00 73.03 H new ATOM 1408 N ARG A 91 -11.904 12.803 -0.024 1.00 40.33 N ATOM 1409 CA ARG A 91 -11.363 11.515 -0.439 1.00 75.11 C ATOM 1410 C ARG A 91 -12.459 10.452 -0.474 1.00 63.01 C ATOM 1411 O ARG A 91 -13.357 10.444 0.368 1.00 24.45 O ATOM 1412 CB ARG A 91 -10.244 11.078 0.508 1.00 12.13 C ATOM 1413 CG ARG A 91 -9.300 10.053 -0.097 1.00 33.42 C ATOM 1414 CD ARG A 91 -7.979 10.000 0.654 1.00 14.34 C ATOM 1415 NE ARG A 91 -7.767 8.706 1.299 1.00 54.42 N ATOM 1416 CZ ARG A 91 -7.396 7.612 0.644 1.00 61.32 C ATOM 1417 NH1 ARG A 91 -7.197 7.654 -0.666 1.00 53.42 N ATOM 1418 NH2 ARG A 91 -7.224 6.471 1.301 1.00 44.24 N ATOM 0 H ARG A 91 -11.597 13.112 0.898 1.00 40.33 H new ATOM 0 HA ARG A 91 -10.955 11.627 -1.444 1.00 75.11 H new ATOM 0 HB2 ARG A 91 -9.670 11.955 0.808 1.00 12.13 H new ATOM 0 HB3 ARG A 91 -10.687 10.662 1.413 1.00 12.13 H new ATOM 0 HG2 ARG A 91 -9.769 9.069 -0.079 1.00 33.42 H new ATOM 0 HG3 ARG A 91 -9.116 10.299 -1.143 1.00 33.42 H new ATOM 0 HD2 ARG A 91 -7.161 10.198 -0.038 1.00 14.34 H new ATOM 0 HD3 ARG A 91 -7.958 10.788 1.407 1.00 14.34 H new ATOM 0 HE ARG A 91 -7.912 8.639 2.306 1.00 54.42 H new ATOM 0 HH11 ARG A 91 -7.329 8.529 -1.174 1.00 53.42 H new ATOM 0 HH12 ARG A 91 -6.912 6.812 -1.166 1.00 53.42 H new ATOM 0 HH21 ARG A 91 -7.377 6.435 2.309 1.00 44.24 H new ATOM 0 HH22 ARG A 91 -6.939 5.631 0.798 1.00 44.24 H new ATOM 1432 N PHE A 92 -12.377 9.558 -1.454 1.00 14.41 N ATOM 1433 CA PHE A 92 -13.362 8.491 -1.599 1.00 44.53 C ATOM 1434 C PHE A 92 -12.705 7.122 -1.450 1.00 14.32 C ATOM 1435 O PHE A 92 -13.323 6.175 -0.963 1.00 42.54 O ATOM 1436 CB PHE A 92 -14.055 8.592 -2.959 1.00 53.22 C ATOM 1437 CG PHE A 92 -15.267 9.480 -2.950 1.00 11.33 C ATOM 1438 CD1 PHE A 92 -15.175 10.796 -2.526 1.00 51.30 C ATOM 1439 CD2 PHE A 92 -16.498 8.998 -3.364 1.00 40.31 C ATOM 1440 CE1 PHE A 92 -16.289 11.614 -2.516 1.00 0.11 C ATOM 1441 CE2 PHE A 92 -17.615 9.813 -3.356 1.00 74.45 C ATOM 1442 CZ PHE A 92 -17.510 11.123 -2.932 1.00 73.43 C ATOM 0 H PHE A 92 -11.640 9.551 -2.159 1.00 14.41 H new ATOM 0 HA PHE A 92 -14.106 8.605 -0.810 1.00 44.53 H new ATOM 0 HB2 PHE A 92 -13.343 8.969 -3.693 1.00 53.22 H new ATOM 0 HB3 PHE A 92 -14.348 7.594 -3.283 1.00 53.22 H new ATOM 0 HD1 PHE A 92 -14.222 11.187 -2.200 1.00 51.30 H new ATOM 0 HD2 PHE A 92 -16.586 7.974 -3.697 1.00 40.31 H new ATOM 0 HE1 PHE A 92 -16.204 12.638 -2.183 1.00 0.11 H new ATOM 0 HE2 PHE A 92 -18.569 9.425 -3.681 1.00 74.45 H new ATOM 0 HZ PHE A 92 -18.381 11.762 -2.926 1.00 73.43 H new ATOM 1452 N GLY A 93 -11.449 7.025 -1.874 1.00 22.01 N ATOM 1453 CA GLY A 93 -10.730 5.767 -1.780 1.00 11.41 C ATOM 1454 C GLY A 93 -10.761 5.185 -0.382 1.00 35.03 C ATOM 1455 O GLY A 93 -10.326 4.054 -0.163 1.00 55.31 O ATOM 0 H GLY A 93 -10.916 7.794 -2.281 1.00 22.01 H new ATOM 0 HA2 GLY A 93 -11.164 5.051 -2.478 1.00 11.41 H new ATOM 0 HA3 GLY A 93 -9.694 5.920 -2.083 1.00 11.41 H new TER 1459 GLY A 93