USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 643 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 98 GLN : amide:sc= 0.053 K(o=0.11,f=-5.6!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -161:sc= 0.0525 (180deg=-0.0792) USER MOD Set 2.1: A 93 CYS SG : rot 51:sc= -0.847! USER MOD Set 2.2: A 96 CYS SG : rot -50:sc= -0.22 USER MOD Set 2.3: A 117 CYS SG : rot 71:sc= 0.92 USER MOD Set 2.4: A 120 CYS SG : rot 126:sc= -0.262 USER MOD Set 3.1: A 55 SER OG : rot -118:sc= 0.607 USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= 0.513 USER MOD Set 4.1: A 49 LYS NZ :NH3+ 146:sc= -0.265 (180deg=-1.4!) USER MOD Set 4.2: A 53 SER OG : rot -54:sc= 0 USER MOD Set 5.1: A 42 CYS SG : rot 40:sc= 0.874 USER MOD Set 5.2: A 45 CYS SG : rot -45:sc= -2.22 USER MOD Set 5.3: A 80 CYS SG : rot 70:sc= 0.986 USER MOD Set 5.4: A 83 CYS SG : rot 124:sc= -1.17 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -171:sc= 0 (180deg=-0.0997) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 165:sc= -0.846 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0339 (180deg=-0.29) USER MOD Single : A 58 GLN : amide:sc= -1.54! C(o=-1.5!,f=-2.7!) USER MOD Single : A 60 SER OG : rot 78:sc= 1.16 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -102:sc= 0.248 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 140:sc= -0.286 (180deg=-1.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -31:sc= 0.273 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.1!) USER MOD Single : A 106 SER OG : rot 180:sc=-0.00541 USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= -0.0173 (180deg=-0.287) USER MOD Single : A 109 GLN : amide:sc= -5.67! C(o=-5.7!,f=-4.1!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.8 K(o=-0.8,f=-1.4) USER MOD Single : A 122 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 3.915 18.236 -11.776 1.00 0.00 N ATOM 88 CA ASP A 37 3.849 16.930 -12.426 1.00 0.00 C ATOM 89 C ASP A 37 4.896 16.828 -13.529 1.00 0.00 C ATOM 90 O ASP A 37 4.875 15.899 -14.337 1.00 0.00 O ATOM 91 CB ASP A 37 2.456 16.708 -13.018 1.00 0.00 C ATOM 92 CG ASP A 37 1.420 16.638 -11.901 1.00 0.00 C ATOM 93 OD1 ASP A 37 1.818 16.478 -10.759 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 0.244 16.749 -12.204 1.00 0.00 O ATOM 0 HA ASP A 37 4.050 16.163 -11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.210 17.519 -13.703 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.441 15.785 -13.598 1.00 0.00 H new ATOM 99 N ALA A 38 5.809 17.791 -13.557 1.00 0.00 N ATOM 100 CA ALA A 38 6.863 17.803 -14.567 1.00 0.00 C ATOM 101 C ALA A 38 7.789 16.610 -14.383 1.00 0.00 C ATOM 102 O ALA A 38 8.148 16.262 -13.258 1.00 0.00 O ATOM 103 CB ALA A 38 7.674 19.096 -14.467 1.00 0.00 C ATOM 0 H ALA A 38 5.842 18.569 -12.898 1.00 0.00 H new ATOM 0 HA ALA A 38 6.396 17.744 -15.550 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.457 19.094 -15.225 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.017 19.951 -14.627 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.127 19.166 -13.478 1.00 0.00 H new ATOM 109 N LEU A 39 8.179 15.985 -15.495 1.00 0.00 N ATOM 110 CA LEU A 39 9.072 14.825 -15.449 1.00 0.00 C ATOM 111 C LEU A 39 10.314 15.081 -16.282 1.00 0.00 C ATOM 112 O LEU A 39 10.234 15.271 -17.496 1.00 0.00 O ATOM 113 CB LEU A 39 8.345 13.595 -15.980 1.00 0.00 C ATOM 114 CG LEU A 39 7.087 13.316 -15.121 1.00 0.00 C ATOM 115 CD1 LEU A 39 5.984 12.716 -15.995 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.429 12.332 -13.994 1.00 0.00 C ATOM 0 H LEU A 39 7.893 16.260 -16.434 1.00 0.00 H new ATOM 0 HA LEU A 39 9.370 14.654 -14.415 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.059 13.752 -17.020 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.010 12.731 -15.959 1.00 0.00 H new ATOM 0 HG LEU A 39 6.741 14.255 -14.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.102 12.522 -15.385 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.729 13.416 -16.790 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.335 11.782 -16.433 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.539 12.141 -13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.784 11.396 -14.424 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.207 12.759 -13.362 1.00 0.00 H new ATOM 128 N ILE A 40 11.468 15.086 -15.622 1.00 0.00 N ATOM 129 CA ILE A 40 12.732 15.328 -16.313 1.00 0.00 C ATOM 130 C ILE A 40 13.416 14.014 -16.663 1.00 0.00 C ATOM 131 O ILE A 40 13.597 13.145 -15.812 1.00 0.00 O ATOM 132 CB ILE A 40 13.660 16.160 -15.425 1.00 0.00 C ATOM 133 CG1 ILE A 40 12.868 17.308 -14.799 1.00 0.00 C ATOM 134 CG2 ILE A 40 14.808 16.731 -16.262 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.146 18.109 -15.887 1.00 0.00 C ATOM 0 H ILE A 40 11.555 14.927 -14.618 1.00 0.00 H new ATOM 0 HA ILE A 40 12.519 15.871 -17.234 1.00 0.00 H new ATOM 0 HB ILE A 40 14.070 15.525 -14.640 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.143 16.913 -14.087 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.540 17.961 -14.242 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.465 17.322 -15.624 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.375 15.914 -16.708 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.403 17.364 -17.051 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.586 18.923 -15.428 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.878 18.519 -16.583 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.460 17.455 -16.425 1.00 0.00 H new ATOM 147 N MET A 41 13.790 13.882 -17.926 1.00 0.00 N ATOM 148 CA MET A 41 14.459 12.670 -18.394 1.00 0.00 C ATOM 149 C MET A 41 15.921 12.680 -17.976 1.00 0.00 C ATOM 150 O MET A 41 16.615 13.683 -18.133 1.00 0.00 O ATOM 151 CB MET A 41 14.360 12.567 -19.919 1.00 0.00 C ATOM 152 CG MET A 41 15.039 11.277 -20.391 1.00 0.00 C ATOM 153 SD MET A 41 14.780 11.074 -22.170 1.00 0.00 S ATOM 154 CE MET A 41 15.477 9.409 -22.310 1.00 0.00 C ATOM 0 H MET A 41 13.645 14.592 -18.644 1.00 0.00 H new ATOM 0 HA MET A 41 13.966 11.808 -17.945 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.314 12.574 -20.227 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.835 13.431 -20.384 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.106 11.313 -20.170 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.631 10.421 -19.853 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.419 9.076 -23.346 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.519 9.423 -21.991 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.913 8.724 -21.677 1.00 0.00 H new ATOM 164 N CYS A 42 16.389 11.553 -17.449 1.00 0.00 N ATOM 165 CA CYS A 42 17.780 11.433 -17.020 1.00 0.00 C ATOM 166 C CYS A 42 18.619 10.889 -18.171 1.00 0.00 C ATOM 167 O CYS A 42 18.209 9.960 -18.844 1.00 0.00 O ATOM 168 CB CYS A 42 17.878 10.494 -15.813 1.00 0.00 C ATOM 169 SG CYS A 42 19.614 10.089 -15.507 1.00 0.00 S ATOM 0 H CYS A 42 15.829 10.712 -17.309 1.00 0.00 H new ATOM 0 HA CYS A 42 18.154 12.415 -16.731 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.443 10.968 -14.933 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.308 9.584 -15.999 1.00 0.00 H new ATOM 0 HG CYS A 42 20.345 11.150 -15.684 1.00 0.00 H new ATOM 174 N MET A 43 19.783 11.480 -18.404 1.00 0.00 N ATOM 175 CA MET A 43 20.647 11.032 -19.503 1.00 0.00 C ATOM 176 C MET A 43 21.579 9.925 -19.034 1.00 0.00 C ATOM 177 O MET A 43 22.306 9.331 -19.831 1.00 0.00 O ATOM 178 CB MET A 43 21.471 12.210 -20.031 1.00 0.00 C ATOM 179 CG MET A 43 21.936 13.074 -18.856 1.00 0.00 C ATOM 180 SD MET A 43 23.115 14.311 -19.449 1.00 0.00 S ATOM 181 CE MET A 43 23.589 14.965 -17.830 1.00 0.00 C ATOM 0 H MET A 43 20.152 12.260 -17.860 1.00 0.00 H new ATOM 0 HA MET A 43 20.016 10.643 -20.302 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.332 11.844 -20.590 1.00 0.00 H new ATOM 0 HB3 MET A 43 20.873 12.806 -20.720 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.081 13.564 -18.390 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.400 12.450 -18.093 1.00 0.00 H new ATOM 0 HE1 MET A 43 24.199 15.858 -17.963 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.693 15.219 -17.263 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.161 14.213 -17.287 1.00 0.00 H new ATOM 191 N ARG A 44 21.564 9.657 -17.737 1.00 0.00 N ATOM 192 CA ARG A 44 22.424 8.625 -17.174 1.00 0.00 C ATOM 193 C ARG A 44 21.777 7.252 -17.276 1.00 0.00 C ATOM 194 O ARG A 44 22.315 6.350 -17.915 1.00 0.00 O ATOM 195 CB ARG A 44 22.716 8.929 -15.703 1.00 0.00 C ATOM 196 CG ARG A 44 23.867 8.037 -15.198 1.00 0.00 C ATOM 197 CD ARG A 44 25.210 8.717 -15.473 1.00 0.00 C ATOM 198 NE ARG A 44 26.303 7.822 -15.138 1.00 0.00 N ATOM 199 CZ ARG A 44 27.564 8.188 -15.328 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.836 9.365 -15.822 1.00 0.00 N ATOM 201 NH2 ARG A 44 28.531 7.369 -15.023 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.971 10.135 -17.058 1.00 0.00 H new ATOM 0 HA ARG A 44 23.352 8.620 -17.745 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.981 9.980 -15.586 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.822 8.757 -15.103 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.754 7.853 -14.130 1.00 0.00 H new ATOM 0 HG3 ARG A 44 23.832 7.067 -15.694 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.273 9.003 -16.523 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.288 9.633 -14.888 1.00 0.00 H new ATOM 0 HE ARG A 44 26.099 6.900 -14.752 1.00 0.00 H new ATOM 0 HH11 ARG A 44 27.079 10.005 -16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.806 9.645 -15.968 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.318 6.448 -14.639 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.501 7.649 -15.168 1.00 0.00 H new ATOM 215 N CYS A 45 20.618 7.096 -16.639 1.00 0.00 N ATOM 216 CA CYS A 45 19.903 5.820 -16.659 1.00 0.00 C ATOM 217 C CYS A 45 18.665 5.907 -17.538 1.00 0.00 C ATOM 218 O CYS A 45 17.749 5.095 -17.414 1.00 0.00 O ATOM 219 CB CYS A 45 19.501 5.434 -15.235 1.00 0.00 C ATOM 220 SG CYS A 45 18.364 6.672 -14.571 1.00 0.00 S ATOM 0 H CYS A 45 20.156 7.832 -16.105 1.00 0.00 H new ATOM 0 HA CYS A 45 20.565 5.058 -17.072 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.027 4.452 -15.233 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.386 5.362 -14.603 1.00 0.00 H new ATOM 0 HG CYS A 45 18.807 7.862 -14.849 1.00 0.00 H new ATOM 225 N ARG A 46 18.644 6.890 -18.435 1.00 0.00 N ATOM 226 CA ARG A 46 17.509 7.061 -19.339 1.00 0.00 C ATOM 227 C ARG A 46 16.191 6.831 -18.611 1.00 0.00 C ATOM 228 O ARG A 46 15.254 6.269 -19.172 1.00 0.00 O ATOM 229 CB ARG A 46 17.623 6.091 -20.511 1.00 0.00 C ATOM 230 CG ARG A 46 18.831 6.475 -21.369 1.00 0.00 C ATOM 231 CD ARG A 46 18.894 5.566 -22.594 1.00 0.00 C ATOM 232 NE ARG A 46 19.231 4.203 -22.200 1.00 0.00 N ATOM 233 CZ ARG A 46 19.346 3.234 -23.104 1.00 0.00 C ATOM 234 NH1 ARG A 46 19.156 3.493 -24.369 1.00 0.00 N ATOM 235 NH2 ARG A 46 19.649 2.022 -22.726 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.391 7.574 -18.555 1.00 0.00 H new ATOM 0 HA ARG A 46 17.525 8.085 -19.711 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.733 5.070 -20.144 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.713 6.118 -21.111 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.754 7.517 -21.680 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.748 6.383 -20.787 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.934 5.575 -23.111 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.638 5.943 -23.296 1.00 0.00 H new ATOM 0 HE ARG A 46 19.381 3.989 -21.214 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.919 4.440 -24.666 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.245 2.749 -25.061 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.797 1.818 -21.738 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.737 1.279 -23.419 1.00 0.00 H new ATOM 249 N LYS A 47 16.128 7.263 -17.351 1.00 0.00 N ATOM 250 CA LYS A 47 14.919 7.090 -16.546 1.00 0.00 C ATOM 251 C LYS A 47 14.223 8.423 -16.349 1.00 0.00 C ATOM 252 O LYS A 47 14.864 9.429 -16.046 1.00 0.00 O ATOM 253 CB LYS A 47 15.281 6.503 -15.183 1.00 0.00 C ATOM 254 CG LYS A 47 14.008 6.023 -14.486 1.00 0.00 C ATOM 255 CD LYS A 47 14.335 5.595 -13.053 1.00 0.00 C ATOM 256 CE LYS A 47 15.209 4.336 -13.068 1.00 0.00 C ATOM 257 NZ LYS A 47 15.170 3.689 -11.731 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.895 7.732 -16.869 1.00 0.00 H new ATOM 0 HA LYS A 47 14.248 6.409 -17.070 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.978 5.674 -15.305 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.783 7.254 -14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.264 6.820 -14.477 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.574 5.188 -15.035 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.853 6.401 -12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.414 5.402 -12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.853 3.642 -13.830 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.235 4.596 -13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.763 2.835 -11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.529 4.351 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.190 3.427 -11.500 1.00 0.00 H new ATOM 271 N VAL A 48 12.905 8.431 -16.533 1.00 0.00 N ATOM 272 CA VAL A 48 12.130 9.659 -16.384 1.00 0.00 C ATOM 273 C VAL A 48 11.421 9.668 -15.036 1.00 0.00 C ATOM 274 O VAL A 48 10.744 8.706 -14.676 1.00 0.00 O ATOM 275 CB VAL A 48 11.095 9.765 -17.513 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.732 11.243 -17.745 1.00 0.00 C ATOM 277 CG2 VAL A 48 11.677 9.163 -18.794 1.00 0.00 C ATOM 0 H VAL A 48 12.356 7.609 -16.783 1.00 0.00 H new ATOM 0 HA VAL A 48 12.807 10.511 -16.437 1.00 0.00 H new ATOM 0 HB VAL A 48 10.194 9.217 -17.235 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.997 11.316 -18.547 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.314 11.663 -16.830 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.628 11.798 -18.022 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.944 9.237 -19.597 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.579 9.707 -19.075 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.924 8.115 -18.624 1.00 0.00 H new ATOM 287 N LYS A 49 11.588 10.759 -14.296 1.00 0.00 N ATOM 288 CA LYS A 49 10.977 10.892 -12.975 1.00 0.00 C ATOM 289 C LYS A 49 10.567 12.330 -12.714 1.00 0.00 C ATOM 290 O LYS A 49 10.912 13.226 -13.475 1.00 0.00 O ATOM 291 CB LYS A 49 11.958 10.435 -11.899 1.00 0.00 C ATOM 292 CG LYS A 49 12.073 8.901 -11.890 1.00 0.00 C ATOM 293 CD LYS A 49 10.779 8.276 -11.335 1.00 0.00 C ATOM 294 CE LYS A 49 11.064 6.870 -10.827 1.00 0.00 C ATOM 295 NZ LYS A 49 12.080 6.938 -9.743 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.141 11.565 -14.587 1.00 0.00 H new ATOM 0 HA LYS A 49 10.086 10.265 -12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.937 10.878 -12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.625 10.786 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.258 8.537 -12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.924 8.596 -11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.384 8.892 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.016 8.244 -12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.148 6.412 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.425 6.242 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.885 6.199 -9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.028 6.791 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.039 7.872 -9.287 1.00 0.00 H new ATOM 309 N GLY A 50 9.826 12.538 -11.626 1.00 0.00 N ATOM 310 CA GLY A 50 9.362 13.872 -11.258 1.00 0.00 C ATOM 311 C GLY A 50 10.297 14.518 -10.245 1.00 0.00 C ATOM 312 O GLY A 50 11.347 13.965 -9.914 1.00 0.00 O ATOM 0 H GLY A 50 9.535 11.799 -10.986 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.299 14.497 -12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.357 13.809 -10.841 1.00 0.00 H new ATOM 316 N ILE A 51 9.914 15.695 -9.762 1.00 0.00 N ATOM 317 CA ILE A 51 10.734 16.405 -8.787 1.00 0.00 C ATOM 318 C ILE A 51 11.040 15.514 -7.580 1.00 0.00 C ATOM 319 O ILE A 51 11.822 15.883 -6.704 1.00 0.00 O ATOM 320 CB ILE A 51 10.005 17.669 -8.321 1.00 0.00 C ATOM 321 CG1 ILE A 51 10.933 18.501 -7.432 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.758 17.277 -7.529 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.347 19.897 -7.250 1.00 0.00 C ATOM 0 H ILE A 51 9.052 16.173 -10.025 1.00 0.00 H new ATOM 0 HA ILE A 51 11.676 16.679 -9.263 1.00 0.00 H new ATOM 0 HB ILE A 51 9.714 18.258 -9.191 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.055 18.017 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.923 18.567 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.240 18.177 -7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.095 16.689 -8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.049 16.686 -6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.008 20.489 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.247 20.379 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.366 19.822 -6.780 1.00 0.00 H new ATOM 335 N ASP A 52 10.426 14.335 -7.537 1.00 0.00 N ATOM 336 CA ASP A 52 10.650 13.412 -6.433 1.00 0.00 C ATOM 337 C ASP A 52 12.022 12.757 -6.549 1.00 0.00 C ATOM 338 O ASP A 52 12.837 12.829 -5.630 1.00 0.00 O ATOM 339 CB ASP A 52 9.561 12.334 -6.444 1.00 0.00 C ATOM 340 CG ASP A 52 8.226 12.937 -6.024 1.00 0.00 C ATOM 341 OD1 ASP A 52 8.238 14.026 -5.474 1.00 0.00 O1- ATOM 342 OD2 ASP A 52 7.212 12.301 -6.254 1.00 0.00 O ATOM 0 H ASP A 52 9.776 14.000 -8.248 1.00 0.00 H new ATOM 0 HA ASP A 52 10.611 13.968 -5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.476 11.901 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.833 11.524 -5.767 1.00 0.00 H new ATOM 347 N SER A 53 12.271 12.130 -7.693 1.00 0.00 N ATOM 348 CA SER A 53 13.555 11.470 -7.932 1.00 0.00 C ATOM 349 C SER A 53 14.573 12.465 -8.484 1.00 0.00 C ATOM 350 O SER A 53 15.658 12.077 -8.914 1.00 0.00 O ATOM 351 CB SER A 53 13.387 10.302 -8.908 1.00 0.00 C ATOM 352 OG SER A 53 14.239 9.238 -8.507 1.00 0.00 O ATOM 0 H SER A 53 11.609 12.063 -8.466 1.00 0.00 H new ATOM 0 HA SER A 53 13.920 11.083 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.349 9.969 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.633 10.620 -9.921 1.00 0.00 H new ATOM 0 HG SER A 53 15.157 9.569 -8.421 1.00 0.00 H new ATOM 358 N TYR A 54 14.211 13.746 -8.469 1.00 0.00 N ATOM 359 CA TYR A 54 15.098 14.800 -8.972 1.00 0.00 C ATOM 360 C TYR A 54 15.357 15.843 -7.894 1.00 0.00 C ATOM 361 O TYR A 54 14.426 16.392 -7.307 1.00 0.00 O ATOM 362 CB TYR A 54 14.459 15.469 -10.212 1.00 0.00 C ATOM 363 CG TYR A 54 14.987 14.830 -11.476 1.00 0.00 C ATOM 364 CD1 TYR A 54 14.484 13.600 -11.910 1.00 0.00 C ATOM 365 CD2 TYR A 54 15.993 15.469 -12.205 1.00 0.00 C ATOM 366 CE1 TYR A 54 14.985 13.012 -13.074 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.493 14.882 -13.364 1.00 0.00 C ATOM 368 CZ TYR A 54 15.990 13.654 -13.803 1.00 0.00 C ATOM 369 OH TYR A 54 16.483 13.080 -14.953 1.00 0.00 O ATOM 0 H TYR A 54 13.315 14.081 -8.116 1.00 0.00 H new ATOM 0 HA TYR A 54 16.051 14.352 -9.253 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.374 15.369 -10.170 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.681 16.536 -10.214 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.708 13.104 -11.345 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.383 16.419 -11.869 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.596 12.062 -13.410 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.272 15.377 -13.925 1.00 0.00 H new ATOM 0 HH TYR A 54 16.989 13.748 -15.461 1.00 0.00 H new ATOM 379 N SER A 55 16.634 16.117 -7.651 1.00 0.00 N ATOM 380 CA SER A 55 17.013 17.103 -6.654 1.00 0.00 C ATOM 381 C SER A 55 16.428 18.465 -7.014 1.00 0.00 C ATOM 382 O SER A 55 16.258 18.789 -8.190 1.00 0.00 O ATOM 383 CB SER A 55 18.536 17.204 -6.577 1.00 0.00 C ATOM 384 OG SER A 55 18.891 18.252 -5.686 1.00 0.00 O ATOM 0 H SER A 55 17.417 15.672 -8.129 1.00 0.00 H new ATOM 0 HA SER A 55 16.622 16.792 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.958 16.260 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.950 17.396 -7.567 1.00 0.00 H new ATOM 0 HG SER A 55 19.389 18.941 -6.173 1.00 0.00 H new ATOM 390 N LYS A 56 16.122 19.257 -5.994 1.00 0.00 N ATOM 391 CA LYS A 56 15.552 20.581 -6.212 1.00 0.00 C ATOM 392 C LYS A 56 16.500 21.440 -7.039 1.00 0.00 C ATOM 393 O LYS A 56 16.067 22.186 -7.920 1.00 0.00 O ATOM 394 CB LYS A 56 15.284 21.263 -4.868 1.00 0.00 C ATOM 395 CG LYS A 56 14.139 20.548 -4.148 1.00 0.00 C ATOM 396 CD LYS A 56 13.877 21.226 -2.802 1.00 0.00 C ATOM 397 CE LYS A 56 12.780 20.468 -2.053 1.00 0.00 C ATOM 398 NZ LYS A 56 11.488 20.612 -2.784 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.258 19.008 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 56 14.613 20.468 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.183 21.242 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.030 22.311 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.238 20.574 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.391 19.499 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.791 21.245 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.577 22.262 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.045 19.414 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.682 20.857 -1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.702 20.357 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.374 21.597 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.486 19.983 -3.612 1.00 0.00 H new ATOM 412 N THR A 57 17.792 21.332 -6.755 1.00 0.00 N ATOM 413 CA THR A 57 18.789 22.102 -7.485 1.00 0.00 C ATOM 414 C THR A 57 18.815 21.693 -8.954 1.00 0.00 C ATOM 415 O THR A 57 18.824 22.543 -9.839 1.00 0.00 O ATOM 416 CB THR A 57 20.172 21.884 -6.871 1.00 0.00 C ATOM 417 OG1 THR A 57 20.440 20.490 -6.799 1.00 0.00 O ATOM 418 CG2 THR A 57 20.208 22.484 -5.465 1.00 0.00 C ATOM 0 H THR A 57 18.171 20.723 -6.030 1.00 0.00 H new ATOM 0 HA THR A 57 18.523 23.157 -7.417 1.00 0.00 H new ATOM 0 HB THR A 57 20.926 22.370 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.327 20.347 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 57 21.194 22.328 -5.028 1.00 0.00 H new ATOM 0 HG22 THR A 57 20.000 23.553 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.455 22.000 -4.843 1.00 0.00 H new ATOM 426 N GLN A 58 18.829 20.385 -9.203 1.00 0.00 N ATOM 427 CA GLN A 58 18.858 19.876 -10.568 1.00 0.00 C ATOM 428 C GLN A 58 17.549 20.184 -11.287 1.00 0.00 C ATOM 429 O GLN A 58 17.545 20.578 -12.450 1.00 0.00 O ATOM 430 CB GLN A 58 19.089 18.365 -10.554 1.00 0.00 C ATOM 431 CG GLN A 58 20.497 18.068 -10.031 1.00 0.00 C ATOM 432 CD GLN A 58 20.716 16.561 -9.951 1.00 0.00 C ATOM 433 OE1 GLN A 58 20.016 15.870 -9.210 1.00 0.00 O ATOM 434 NE2 GLN A 58 21.652 16.008 -10.672 1.00 0.00 N ATOM 0 H GLN A 58 18.821 19.664 -8.481 1.00 0.00 H new ATOM 0 HA GLN A 58 19.673 20.366 -11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.345 17.879 -9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.970 17.959 -11.558 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.241 18.518 -10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.630 18.516 -9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.230 16.583 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 58 21.806 15.001 -10.623 1.00 0.00 H new ATOM 443 N TRP A 59 16.438 20.005 -10.588 1.00 0.00 N ATOM 444 CA TRP A 59 15.128 20.271 -11.166 1.00 0.00 C ATOM 445 C TRP A 59 14.993 21.744 -11.540 1.00 0.00 C ATOM 446 O TRP A 59 14.382 22.084 -12.548 1.00 0.00 O ATOM 447 CB TRP A 59 14.029 19.890 -10.173 1.00 0.00 C ATOM 448 CG TRP A 59 12.690 20.159 -10.786 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.092 19.381 -11.717 1.00 0.00 C ATOM 450 CD2 TRP A 59 11.773 21.260 -10.521 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.867 19.937 -12.045 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.627 21.096 -11.335 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.824 22.374 -9.664 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.568 22.005 -11.299 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.760 23.291 -9.626 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.636 23.108 -10.443 1.00 0.00 C ATOM 0 H TRP A 59 16.417 19.678 -9.622 1.00 0.00 H new ATOM 0 HA TRP A 59 15.024 19.669 -12.069 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.114 18.837 -9.906 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.141 20.462 -9.252 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.503 18.474 -12.136 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.222 19.539 -12.727 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.686 22.526 -9.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.703 21.857 -11.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 10.809 24.142 -8.963 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.823 23.818 -10.411 1.00 0.00 H new ATOM 467 N SER A 60 15.566 22.611 -10.716 1.00 0.00 N ATOM 468 CA SER A 60 15.503 24.047 -10.964 1.00 0.00 C ATOM 469 C SER A 60 16.171 24.400 -12.292 1.00 0.00 C ATOM 470 O SER A 60 15.787 25.364 -12.955 1.00 0.00 O ATOM 471 CB SER A 60 16.192 24.806 -9.830 1.00 0.00 C ATOM 472 OG SER A 60 15.382 24.742 -8.664 1.00 0.00 O ATOM 0 H SER A 60 16.078 22.348 -9.874 1.00 0.00 H new ATOM 0 HA SER A 60 14.453 24.337 -11.012 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.172 24.374 -9.630 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.354 25.845 -10.118 1.00 0.00 H new ATOM 0 HG SER A 60 15.491 23.866 -8.238 1.00 0.00 H new ATOM 478 N LYS A 61 17.178 23.618 -12.668 1.00 0.00 N ATOM 479 CA LYS A 61 17.904 23.862 -13.912 1.00 0.00 C ATOM 480 C LYS A 61 16.990 23.664 -15.113 1.00 0.00 C ATOM 481 O LYS A 61 17.365 23.955 -16.249 1.00 0.00 O ATOM 482 CB LYS A 61 19.097 22.911 -14.017 1.00 0.00 C ATOM 483 CG LYS A 61 20.088 23.209 -12.893 1.00 0.00 C ATOM 484 CD LYS A 61 21.254 22.221 -12.963 1.00 0.00 C ATOM 485 CE LYS A 61 22.195 22.464 -11.786 1.00 0.00 C ATOM 486 NZ LYS A 61 23.315 21.479 -11.833 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.509 22.815 -12.134 1.00 0.00 H new ATOM 0 HA LYS A 61 18.260 24.892 -13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.758 21.877 -13.952 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.584 23.027 -14.985 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.458 24.231 -12.982 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.591 23.133 -11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.880 21.197 -12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.791 22.342 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.588 23.480 -11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.651 22.368 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.956 21.644 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 22.931 20.514 -11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.839 21.591 -12.724 1.00 0.00 H new ATOM 500 N THR A 62 15.789 23.169 -14.853 1.00 0.00 N ATOM 501 CA THR A 62 14.822 22.935 -15.924 1.00 0.00 C ATOM 502 C THR A 62 14.300 24.254 -16.483 1.00 0.00 C ATOM 503 O THR A 62 13.750 24.302 -17.583 1.00 0.00 O ATOM 504 CB THR A 62 13.649 22.102 -15.406 1.00 0.00 C ATOM 505 OG1 THR A 62 13.031 22.778 -14.324 1.00 0.00 O ATOM 506 CG2 THR A 62 14.156 20.736 -14.937 1.00 0.00 C ATOM 0 H THR A 62 15.459 22.922 -13.920 1.00 0.00 H new ATOM 0 HA THR A 62 15.329 22.391 -16.721 1.00 0.00 H new ATOM 0 HB THR A 62 12.923 21.960 -16.207 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.319 22.374 -13.479 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.318 20.144 -14.568 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.628 20.217 -15.771 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.884 20.873 -14.137 1.00 0.00 H new ATOM 514 N PHE A 63 14.473 25.325 -15.714 1.00 0.00 N ATOM 515 CA PHE A 63 14.017 26.650 -16.126 1.00 0.00 C ATOM 516 C PHE A 63 14.984 27.719 -15.644 1.00 0.00 C ATOM 517 O PHE A 63 15.682 27.535 -14.649 1.00 0.00 O ATOM 518 CB PHE A 63 12.623 26.923 -15.560 1.00 0.00 C ATOM 519 CG PHE A 63 12.626 26.682 -14.071 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.126 27.658 -13.202 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.132 25.477 -13.559 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.132 27.430 -11.821 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.138 25.247 -12.180 1.00 0.00 C ATOM 524 CZ PHE A 63 12.637 26.223 -11.309 1.00 0.00 C ATOM 0 H PHE A 63 14.926 25.302 -14.801 1.00 0.00 H new ATOM 0 HA PHE A 63 13.976 26.678 -17.215 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.328 27.951 -15.772 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.890 26.276 -16.042 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.508 28.588 -13.597 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.746 24.724 -14.230 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.518 28.184 -11.151 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.758 24.316 -11.786 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.640 26.046 -10.244 1.00 0.00 H new ATOM 534 N THR A 64 15.022 28.837 -16.362 1.00 0.00 N ATOM 535 CA THR A 64 15.912 29.945 -16.014 1.00 0.00 C ATOM 536 C THR A 64 15.130 31.242 -15.928 1.00 0.00 C ATOM 537 O THR A 64 13.946 31.287 -16.258 1.00 0.00 O ATOM 538 CB THR A 64 17.014 30.081 -17.067 1.00 0.00 C ATOM 539 OG1 THR A 64 16.432 30.113 -18.362 1.00 0.00 O ATOM 540 CG2 THR A 64 17.975 28.900 -16.957 1.00 0.00 C ATOM 0 H THR A 64 14.448 29.002 -17.189 1.00 0.00 H new ATOM 0 HA THR A 64 16.363 29.737 -15.044 1.00 0.00 H new ATOM 0 HB THR A 64 17.565 31.006 -16.900 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.138 30.202 -19.036 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.759 28.998 -17.708 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.423 28.887 -15.963 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.430 27.971 -17.121 1.00 0.00 H new ATOM 548 N PHE A 65 15.793 32.299 -15.466 1.00 0.00 N ATOM 549 CA PHE A 65 15.146 33.603 -15.330 1.00 0.00 C ATOM 550 C PHE A 65 15.603 34.538 -16.439 1.00 0.00 C ATOM 551 O PHE A 65 16.794 34.804 -16.588 1.00 0.00 O ATOM 552 CB PHE A 65 15.490 34.209 -13.951 1.00 0.00 C ATOM 553 CG PHE A 65 14.230 34.690 -13.267 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.195 33.784 -13.005 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.090 36.036 -12.907 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.023 34.221 -12.385 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.915 36.473 -12.288 1.00 0.00 C ATOM 558 CZ PHE A 65 11.883 35.567 -12.027 1.00 0.00 C ATOM 0 H PHE A 65 16.772 32.280 -15.181 1.00 0.00 H new ATOM 0 HA PHE A 65 14.066 33.474 -15.409 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.988 33.463 -13.331 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.186 35.039 -14.073 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.304 32.746 -13.283 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.888 36.735 -13.107 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.226 33.522 -12.182 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.805 37.511 -12.011 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.976 35.906 -11.548 1.00 0.00 H new ATOM 568 N VAL A 66 14.643 35.039 -17.208 1.00 0.00 N ATOM 569 CA VAL A 66 14.947 35.958 -18.303 1.00 0.00 C ATOM 570 C VAL A 66 14.047 37.187 -18.238 1.00 0.00 C ATOM 571 O VAL A 66 12.835 37.075 -18.053 1.00 0.00 O ATOM 572 CB VAL A 66 14.756 35.242 -19.642 1.00 0.00 C ATOM 573 CG1 VAL A 66 14.848 36.257 -20.784 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.849 34.184 -19.809 1.00 0.00 C ATOM 0 H VAL A 66 13.652 34.827 -17.096 1.00 0.00 H new ATOM 0 HA VAL A 66 15.983 36.284 -18.210 1.00 0.00 H new ATOM 0 HB VAL A 66 13.777 34.763 -19.663 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.712 35.746 -21.737 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.071 37.012 -20.663 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.827 36.737 -20.766 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.717 33.671 -20.762 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.827 34.665 -19.788 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.783 33.461 -18.996 1.00 0.00 H new ATOM 584 N ARG A 67 14.649 38.360 -18.403 1.00 0.00 N ATOM 585 CA ARG A 67 13.892 39.605 -18.371 1.00 0.00 C ATOM 586 C ARG A 67 12.937 39.624 -17.184 1.00 0.00 C ATOM 587 O ARG A 67 11.906 40.296 -17.216 1.00 0.00 O ATOM 588 CB ARG A 67 13.100 39.765 -19.671 1.00 0.00 C ATOM 589 CG ARG A 67 14.063 40.048 -20.827 1.00 0.00 C ATOM 590 CD ARG A 67 13.275 40.161 -22.134 1.00 0.00 C ATOM 591 NE ARG A 67 14.180 40.419 -23.248 1.00 0.00 N ATOM 592 CZ ARG A 67 13.717 40.796 -24.436 1.00 0.00 C ATOM 593 NH1 ARG A 67 12.433 40.940 -24.621 1.00 0.00 N ATOM 594 NH2 ARG A 67 14.546 41.018 -25.419 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.651 38.474 -18.559 1.00 0.00 H new ATOM 0 HA ARG A 67 14.594 40.433 -18.267 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.528 38.860 -19.874 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.383 40.580 -19.574 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.611 40.971 -20.640 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.801 39.249 -20.903 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.720 39.240 -22.313 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.543 40.965 -22.057 1.00 0.00 H new ATOM 0 HE ARG A 67 15.185 40.308 -23.114 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.784 40.763 -23.854 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.078 41.229 -25.533 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.549 40.902 -25.276 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.191 41.307 -26.330 1.00 0.00 H new ATOM 608 N GLY A 68 13.286 38.885 -16.136 1.00 0.00 N ATOM 609 CA GLY A 68 12.453 38.830 -14.944 1.00 0.00 C ATOM 610 C GLY A 68 11.225 37.959 -15.174 1.00 0.00 C ATOM 611 O GLY A 68 10.186 38.160 -14.550 1.00 0.00 O ATOM 0 H GLY A 68 14.134 38.320 -16.089 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.032 38.435 -14.110 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.142 39.837 -14.667 1.00 0.00 H new ATOM 615 N ARG A 69 11.351 36.991 -16.080 1.00 0.00 N ATOM 616 CA ARG A 69 10.243 36.087 -16.394 1.00 0.00 C ATOM 617 C ARG A 69 10.719 34.640 -16.418 1.00 0.00 C ATOM 618 O ARG A 69 11.750 34.324 -17.009 1.00 0.00 O ATOM 619 CB ARG A 69 9.645 36.457 -17.752 1.00 0.00 C ATOM 620 CG ARG A 69 8.439 35.563 -18.037 1.00 0.00 C ATOM 621 CD ARG A 69 7.753 36.023 -19.323 1.00 0.00 C ATOM 622 NE ARG A 69 6.619 35.156 -19.626 1.00 0.00 N ATOM 623 CZ ARG A 69 5.422 35.373 -19.088 1.00 0.00 C ATOM 624 NH1 ARG A 69 5.247 36.375 -18.270 1.00 0.00 N ATOM 625 NH2 ARG A 69 4.423 34.584 -19.376 1.00 0.00 N1+ ATOM 0 H ARG A 69 12.205 36.812 -16.608 1.00 0.00 H new ATOM 0 HA ARG A 69 9.482 36.188 -15.620 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.344 37.505 -17.756 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.393 36.338 -18.536 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.758 34.525 -18.134 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.738 35.605 -17.204 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.414 37.053 -19.215 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.464 36.007 -20.149 1.00 0.00 H new ATOM 0 HE ARG A 69 6.747 34.369 -20.262 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.028 36.991 -18.044 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.329 36.542 -17.857 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.560 33.800 -20.014 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.506 34.751 -18.963 1.00 0.00 H new ATOM 639 N THR A 70 9.956 33.766 -15.769 1.00 0.00 N ATOM 640 CA THR A 70 10.307 32.353 -15.721 1.00 0.00 C ATOM 641 C THR A 70 10.258 31.746 -17.117 1.00 0.00 C ATOM 642 O THR A 70 9.288 31.933 -17.850 1.00 0.00 O ATOM 643 CB THR A 70 9.336 31.603 -14.805 1.00 0.00 C ATOM 644 OG1 THR A 70 9.270 32.261 -13.548 1.00 0.00 O ATOM 645 CG2 THR A 70 9.823 30.166 -14.607 1.00 0.00 C ATOM 0 H THR A 70 9.098 34.009 -15.273 1.00 0.00 H new ATOM 0 HA THR A 70 11.320 32.262 -15.329 1.00 0.00 H new ATOM 0 HB THR A 70 8.346 31.588 -15.260 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.648 31.783 -12.961 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.131 29.634 -13.955 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.872 29.662 -15.572 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.814 30.177 -14.153 1.00 0.00 H new ATOM 653 N VAL A 71 11.313 31.022 -17.481 1.00 0.00 N ATOM 654 CA VAL A 71 11.388 30.389 -18.799 1.00 0.00 C ATOM 655 C VAL A 71 11.957 28.980 -18.687 1.00 0.00 C ATOM 656 O VAL A 71 12.875 28.732 -17.906 1.00 0.00 O ATOM 657 CB VAL A 71 12.267 31.228 -19.727 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.522 32.507 -20.115 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.566 31.597 -19.006 1.00 0.00 C ATOM 0 H VAL A 71 12.125 30.858 -16.886 1.00 0.00 H new ATOM 0 HA VAL A 71 10.381 30.326 -19.211 1.00 0.00 H new ATOM 0 HB VAL A 71 12.499 30.653 -20.624 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.148 33.106 -20.777 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.596 32.247 -20.628 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.291 33.080 -19.217 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.192 32.195 -19.668 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.334 32.171 -18.109 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.098 30.688 -18.727 1.00 0.00 H new ATOM 669 N SER A 72 11.406 28.061 -19.473 1.00 0.00 N ATOM 670 CA SER A 72 11.870 26.676 -19.455 1.00 0.00 C ATOM 671 C SER A 72 13.111 26.521 -20.324 1.00 0.00 C ATOM 672 O SER A 72 13.145 26.999 -21.458 1.00 0.00 O ATOM 673 CB SER A 72 10.769 25.752 -19.967 1.00 0.00 C ATOM 674 OG SER A 72 9.654 25.823 -19.087 1.00 0.00 O ATOM 0 H SER A 72 10.644 28.246 -20.125 1.00 0.00 H new ATOM 0 HA SER A 72 12.121 26.407 -18.429 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.472 26.044 -20.974 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.136 24.727 -20.027 1.00 0.00 H new ATOM 0 HG SER A 72 8.943 25.232 -19.412 1.00 0.00 H new ATOM 680 N VAL A 73 14.132 25.851 -19.792 1.00 0.00 N ATOM 681 CA VAL A 73 15.366 25.645 -20.535 1.00 0.00 C ATOM 682 C VAL A 73 15.102 24.826 -21.794 1.00 0.00 C ATOM 683 O VAL A 73 14.308 23.884 -21.778 1.00 0.00 O ATOM 684 CB VAL A 73 16.389 24.919 -19.653 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.640 24.595 -20.475 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.778 25.814 -18.468 1.00 0.00 C ATOM 0 H VAL A 73 14.126 25.446 -18.856 1.00 0.00 H new ATOM 0 HA VAL A 73 15.762 26.618 -20.826 1.00 0.00 H new ATOM 0 HB VAL A 73 15.948 23.994 -19.281 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.365 24.079 -19.846 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.368 23.955 -21.315 1.00 0.00 H new ATOM 0 HG13 VAL A 73 18.078 25.520 -20.850 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.505 25.295 -17.843 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.215 26.741 -18.840 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.890 26.043 -17.878 1.00 0.00 H new ATOM 696 N SER A 74 15.769 25.192 -22.881 1.00 0.00 N ATOM 697 CA SER A 74 15.600 24.486 -24.146 1.00 0.00 C ATOM 698 C SER A 74 16.057 23.036 -24.021 1.00 0.00 C ATOM 699 O SER A 74 15.405 22.126 -24.530 1.00 0.00 O ATOM 700 CB SER A 74 16.405 25.179 -25.244 1.00 0.00 C ATOM 701 OG SER A 74 16.193 24.501 -26.476 1.00 0.00 O ATOM 0 H SER A 74 16.429 25.969 -22.913 1.00 0.00 H new ATOM 0 HA SER A 74 14.541 24.500 -24.405 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.101 26.222 -25.332 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.465 25.176 -24.991 1.00 0.00 H new ATOM 0 HG SER A 74 16.706 24.942 -27.185 1.00 0.00 H new ATOM 707 N ASP A 75 17.184 22.829 -23.345 1.00 0.00 N ATOM 708 CA ASP A 75 17.722 21.483 -23.164 1.00 0.00 C ATOM 709 C ASP A 75 18.480 21.381 -21.839 1.00 0.00 C ATOM 710 O ASP A 75 19.704 21.520 -21.802 1.00 0.00 O ATOM 711 CB ASP A 75 18.659 21.138 -24.316 1.00 0.00 C ATOM 712 CG ASP A 75 19.808 22.133 -24.376 1.00 0.00 C ATOM 713 OD1 ASP A 75 19.546 23.318 -24.249 1.00 0.00 O ATOM 714 OD2 ASP A 75 20.934 21.697 -24.548 1.00 0.00 O1- ATOM 0 H ASP A 75 17.739 23.570 -22.916 1.00 0.00 H new ATOM 0 HA ASP A 75 16.890 20.778 -23.149 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.049 20.128 -24.187 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.109 21.149 -25.257 1.00 0.00 H new ATOM 719 N PRO A 76 17.779 21.148 -20.754 1.00 0.00 N ATOM 720 CA PRO A 76 18.398 21.029 -19.407 1.00 0.00 C ATOM 721 C PRO A 76 19.001 19.647 -19.181 1.00 0.00 C ATOM 722 O PRO A 76 18.295 18.641 -19.202 1.00 0.00 O ATOM 723 CB PRO A 76 17.224 21.284 -18.449 1.00 0.00 C ATOM 724 CG PRO A 76 15.991 20.871 -19.203 1.00 0.00 C ATOM 725 CD PRO A 76 16.318 20.973 -20.702 1.00 0.00 C ATOM 0 HA PRO A 76 19.225 21.725 -19.266 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.334 20.706 -17.531 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.174 22.334 -18.161 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.703 19.853 -18.941 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.150 21.516 -18.948 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.007 20.076 -21.237 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.802 21.815 -21.164 1.00 0.00 H new ATOM 733 N LYS A 77 20.310 19.607 -18.959 1.00 0.00 N ATOM 734 CA LYS A 77 21.001 18.341 -18.726 1.00 0.00 C ATOM 735 C LYS A 77 21.213 18.113 -17.236 1.00 0.00 C ATOM 736 O LYS A 77 21.959 18.843 -16.584 1.00 0.00 O ATOM 737 CB LYS A 77 22.352 18.356 -19.427 1.00 0.00 C ATOM 738 CG LYS A 77 22.140 18.374 -20.944 1.00 0.00 C ATOM 739 CD LYS A 77 23.493 18.513 -21.661 1.00 0.00 C ATOM 740 CE LYS A 77 24.179 17.146 -21.755 1.00 0.00 C ATOM 741 NZ LYS A 77 23.285 16.194 -22.471 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.912 20.430 -18.935 1.00 0.00 H new ATOM 0 HA LYS A 77 20.386 17.534 -19.124 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.924 19.231 -19.119 1.00 0.00 H new ATOM 0 HB3 LYS A 77 22.932 17.479 -19.141 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.643 17.457 -21.261 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.487 19.202 -21.219 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.344 18.924 -22.660 1.00 0.00 H new ATOM 0 HD3 LYS A 77 24.130 19.213 -21.120 1.00 0.00 H new ATOM 0 HE2 LYS A 77 25.128 17.238 -22.283 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.405 16.770 -20.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.851 15.599 -23.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.794 15.592 -21.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.584 16.726 -23.025 1.00 0.00 H new ATOM 755 N VAL A 78 20.554 17.089 -16.703 1.00 0.00 N ATOM 756 CA VAL A 78 20.673 16.752 -15.286 1.00 0.00 C ATOM 757 C VAL A 78 20.638 15.240 -15.096 1.00 0.00 C ATOM 758 O VAL A 78 20.284 14.496 -16.006 1.00 0.00 O ATOM 759 CB VAL A 78 19.545 17.415 -14.492 1.00 0.00 C ATOM 760 CG1 VAL A 78 19.908 18.874 -14.198 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.259 17.377 -15.316 1.00 0.00 C ATOM 0 H VAL A 78 19.931 16.477 -17.230 1.00 0.00 H new ATOM 0 HA VAL A 78 21.628 17.124 -14.916 1.00 0.00 H new ATOM 0 HB VAL A 78 19.402 16.879 -13.554 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.102 19.343 -13.633 1.00 0.00 H new ATOM 0 HG12 VAL A 78 20.829 18.910 -13.615 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.052 19.409 -15.137 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.453 17.848 -14.754 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.411 17.914 -16.252 1.00 0.00 H new ATOM 0 HG23 VAL A 78 17.995 16.341 -15.530 1.00 0.00 H new ATOM 771 N ILE A 79 21.021 14.799 -13.900 1.00 0.00 N ATOM 772 CA ILE A 79 21.052 13.372 -13.570 1.00 0.00 C ATOM 773 C ILE A 79 20.258 13.094 -12.299 1.00 0.00 C ATOM 774 O ILE A 79 19.839 14.017 -11.600 1.00 0.00 O ATOM 775 CB ILE A 79 22.492 12.903 -13.406 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.228 13.843 -12.449 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.190 12.912 -14.771 1.00 0.00 C ATOM 778 CD1 ILE A 79 24.696 13.431 -12.359 1.00 0.00 C ATOM 0 H ILE A 79 21.316 15.411 -13.139 1.00 0.00 H new ATOM 0 HA ILE A 79 20.591 12.819 -14.389 1.00 0.00 H new ATOM 0 HB ILE A 79 22.502 11.891 -13.000 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.149 14.872 -12.800 1.00 0.00 H new ATOM 0 HG13 ILE A 79 22.768 13.807 -11.461 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.221 12.577 -14.655 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.665 12.243 -15.452 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.181 13.923 -15.177 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.221 14.100 -11.677 1.00 0.00 H new ATOM 0 HD12 ILE A 79 24.765 12.408 -11.988 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.152 13.490 -13.347 1.00 0.00 H new ATOM 790 N CYS A 80 20.051 11.815 -12.013 1.00 0.00 N ATOM 791 CA CYS A 80 19.304 11.416 -10.826 1.00 0.00 C ATOM 792 C CYS A 80 20.154 11.586 -9.571 1.00 0.00 C ATOM 793 O CYS A 80 21.373 11.726 -9.651 1.00 0.00 O ATOM 794 CB CYS A 80 18.861 9.956 -10.944 1.00 0.00 C ATOM 795 SG CYS A 80 18.138 9.678 -12.574 1.00 0.00 S ATOM 0 H CYS A 80 20.388 11.039 -12.583 1.00 0.00 H new ATOM 0 HA CYS A 80 18.426 12.057 -10.749 1.00 0.00 H new ATOM 0 HB2 CYS A 80 19.713 9.293 -10.794 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.134 9.721 -10.167 1.00 0.00 H new ATOM 0 HG CYS A 80 19.070 9.740 -13.478 1.00 0.00 H new ATOM 800 N ARG A 81 19.498 11.575 -8.416 1.00 0.00 N ATOM 801 CA ARG A 81 20.196 11.731 -7.144 1.00 0.00 C ATOM 802 C ARG A 81 21.150 10.562 -6.913 1.00 0.00 C ATOM 803 O ARG A 81 22.226 10.726 -6.340 1.00 0.00 O ATOM 804 CB ARG A 81 19.185 11.799 -5.998 1.00 0.00 C ATOM 805 CG ARG A 81 18.384 13.098 -6.102 1.00 0.00 C ATOM 806 CD ARG A 81 17.325 13.135 -4.999 1.00 0.00 C ATOM 807 NE ARG A 81 16.513 14.340 -5.120 1.00 0.00 N ATOM 808 CZ ARG A 81 15.491 14.565 -4.300 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.202 13.701 -3.366 1.00 0.00 N ATOM 810 NH2 ARG A 81 14.775 15.648 -4.431 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.488 11.460 -8.333 1.00 0.00 H new ATOM 0 HA ARG A 81 20.771 12.657 -7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.514 10.941 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.702 11.754 -5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.050 13.956 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.908 13.167 -7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.690 12.252 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.807 13.109 -4.022 1.00 0.00 H new ATOM 0 HE ARG A 81 16.733 15.022 -5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.760 12.853 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.418 13.873 -2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.999 16.322 -5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.991 15.820 -3.802 1.00 0.00 H new ATOM 824 N THR A 82 20.741 9.377 -7.352 1.00 0.00 N ATOM 825 CA THR A 82 21.565 8.181 -7.183 1.00 0.00 C ATOM 826 C THR A 82 22.586 8.066 -8.314 1.00 0.00 C ATOM 827 O THR A 82 23.642 7.454 -8.151 1.00 0.00 O ATOM 828 CB THR A 82 20.680 6.935 -7.168 1.00 0.00 C ATOM 829 OG1 THR A 82 21.481 5.787 -7.412 1.00 0.00 O ATOM 830 CG2 THR A 82 19.611 7.051 -8.256 1.00 0.00 C ATOM 0 H THR A 82 19.851 9.217 -7.824 1.00 0.00 H new ATOM 0 HA THR A 82 22.097 8.262 -6.235 1.00 0.00 H new ATOM 0 HB THR A 82 20.196 6.844 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.916 4.986 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.981 6.161 -8.244 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.997 7.933 -8.071 1.00 0.00 H new ATOM 0 HG23 THR A 82 20.092 7.142 -9.230 1.00 0.00 H new ATOM 838 N CYS A 83 22.262 8.658 -9.459 1.00 0.00 N ATOM 839 CA CYS A 83 23.154 8.620 -10.612 1.00 0.00 C ATOM 840 C CYS A 83 24.420 9.422 -10.336 1.00 0.00 C ATOM 841 O CYS A 83 25.494 9.099 -10.845 1.00 0.00 O ATOM 842 CB CYS A 83 22.441 9.179 -11.855 1.00 0.00 C ATOM 843 SG CYS A 83 21.458 7.862 -12.622 1.00 0.00 S ATOM 0 H CYS A 83 21.392 9.168 -9.613 1.00 0.00 H new ATOM 0 HA CYS A 83 23.431 7.582 -10.797 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.798 10.013 -11.575 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.172 9.564 -12.566 1.00 0.00 H new ATOM 0 HG CYS A 83 20.221 8.248 -12.724 1.00 0.00 H new ATOM 947 N SER A 90 36.864 9.592 5.590 1.00 0.00 N ATOM 948 CA SER A 90 36.549 9.296 6.987 1.00 0.00 C ATOM 949 C SER A 90 37.755 8.695 7.691 1.00 0.00 C ATOM 950 O SER A 90 38.733 8.316 7.047 1.00 0.00 O ATOM 951 CB SER A 90 35.370 8.328 7.066 1.00 0.00 C ATOM 952 OG SER A 90 35.618 7.216 6.217 1.00 0.00 O ATOM 0 HA SER A 90 36.282 10.229 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 90 35.229 7.992 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 90 34.451 8.831 6.766 1.00 0.00 H new ATOM 0 HG SER A 90 36.163 7.502 5.454 1.00 0.00 H new ATOM 958 N ILE A 91 37.683 8.616 9.021 1.00 0.00 N ATOM 959 CA ILE A 91 38.783 8.063 9.811 1.00 0.00 C ATOM 960 C ILE A 91 38.271 6.982 10.752 1.00 0.00 C ATOM 961 O ILE A 91 37.270 7.169 11.443 1.00 0.00 O ATOM 962 CB ILE A 91 39.445 9.177 10.617 1.00 0.00 C ATOM 963 CG1 ILE A 91 39.985 10.240 9.660 1.00 0.00 C ATOM 964 CG2 ILE A 91 40.605 8.597 11.421 1.00 0.00 C ATOM 965 CD1 ILE A 91 40.376 11.484 10.455 1.00 0.00 C ATOM 0 H ILE A 91 36.881 8.926 9.570 1.00 0.00 H new ATOM 0 HA ILE A 91 39.513 7.619 9.134 1.00 0.00 H new ATOM 0 HB ILE A 91 38.714 9.623 11.292 1.00 0.00 H new ATOM 0 HG12 ILE A 91 40.849 9.854 9.119 1.00 0.00 H new ATOM 0 HG13 ILE A 91 39.230 10.493 8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 91 41.080 9.390 11.998 1.00 0.00 H new ATOM 0 HG22 ILE A 91 40.230 7.830 12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 91 41.334 8.156 10.741 1.00 0.00 H new ATOM 0 HD11 ILE A 91 40.762 12.244 9.775 1.00 0.00 H new ATOM 0 HD12 ILE A 91 39.501 11.873 10.976 1.00 0.00 H new ATOM 0 HD13 ILE A 91 41.145 11.224 11.182 1.00 0.00 H new ATOM 977 N TRP A 92 38.963 5.850 10.771 1.00 0.00 N ATOM 978 CA TRP A 92 38.568 4.745 11.632 1.00 0.00 C ATOM 979 C TRP A 92 39.022 4.999 13.069 1.00 0.00 C ATOM 980 O TRP A 92 40.196 5.269 13.318 1.00 0.00 O ATOM 981 CB TRP A 92 39.182 3.434 11.122 1.00 0.00 C ATOM 982 CG TRP A 92 38.988 2.351 12.142 1.00 0.00 C ATOM 983 CD1 TRP A 92 37.863 2.160 12.870 1.00 0.00 C ATOM 984 CD2 TRP A 92 39.928 1.322 12.564 1.00 0.00 C ATOM 985 NE1 TRP A 92 38.053 1.081 13.713 1.00 0.00 N ATOM 986 CE2 TRP A 92 39.308 0.528 13.559 1.00 0.00 C ATOM 987 CE3 TRP A 92 41.244 1.002 12.185 1.00 0.00 C ATOM 988 CZ2 TRP A 92 39.970 -0.545 14.154 1.00 0.00 C ATOM 989 CZ3 TRP A 92 41.913 -0.079 12.782 1.00 0.00 C ATOM 990 CH2 TRP A 92 41.277 -0.850 13.765 1.00 0.00 C ATOM 0 H TRP A 92 39.793 5.674 10.205 1.00 0.00 H new ATOM 0 HA TRP A 92 37.481 4.665 11.614 1.00 0.00 H new ATOM 0 HB2 TRP A 92 38.716 3.146 10.180 1.00 0.00 H new ATOM 0 HB3 TRP A 92 40.245 3.573 10.923 1.00 0.00 H new ATOM 0 HD1 TRP A 92 36.963 2.754 12.803 1.00 0.00 H new ATOM 0 HE1 TRP A 92 37.352 0.736 14.368 1.00 0.00 H new ATOM 0 HE3 TRP A 92 41.743 1.591 11.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 39.476 -1.137 14.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 42.923 -0.318 12.482 1.00 0.00 H new ATOM 0 HH2 TRP A 92 41.797 -1.679 14.221 1.00 0.00 H new ATOM 1001 N CYS A 93 38.085 4.899 14.009 1.00 0.00 N ATOM 1002 CA CYS A 93 38.396 5.104 15.424 1.00 0.00 C ATOM 1003 C CYS A 93 38.450 3.770 16.148 1.00 0.00 C ATOM 1004 O CYS A 93 37.594 2.911 15.944 1.00 0.00 O ATOM 1005 CB CYS A 93 37.327 5.973 16.077 1.00 0.00 C ATOM 1006 SG CYS A 93 37.557 5.980 17.879 1.00 0.00 S ATOM 0 H CYS A 93 37.107 4.678 13.819 1.00 0.00 H new ATOM 0 HA CYS A 93 39.365 5.599 15.492 1.00 0.00 H new ATOM 0 HB2 CYS A 93 37.385 6.990 15.690 1.00 0.00 H new ATOM 0 HB3 CYS A 93 36.336 5.594 15.829 1.00 0.00 H new ATOM 0 HG CYS A 93 38.793 6.273 18.158 1.00 0.00 H new ATOM 1011 N THR A 94 39.455 3.598 16.998 1.00 0.00 N ATOM 1012 CA THR A 94 39.602 2.356 17.751 1.00 0.00 C ATOM 1013 C THR A 94 39.084 2.540 19.176 1.00 0.00 C ATOM 1014 O THR A 94 39.045 1.590 19.957 1.00 0.00 O ATOM 1015 CB THR A 94 41.075 1.940 17.794 1.00 0.00 C ATOM 1016 OG1 THR A 94 41.712 2.567 18.900 1.00 0.00 O ATOM 1017 CG2 THR A 94 41.769 2.371 16.501 1.00 0.00 C ATOM 0 H THR A 94 40.176 4.296 17.183 1.00 0.00 H new ATOM 0 HA THR A 94 39.021 1.578 17.256 1.00 0.00 H new ATOM 0 HB THR A 94 41.141 0.857 17.898 1.00 0.00 H new ATOM 0 HG1 THR A 94 42.654 2.300 18.929 1.00 0.00 H new ATOM 0 HG21 THR A 94 42.817 2.074 16.534 1.00 0.00 H new ATOM 0 HG22 THR A 94 41.283 1.893 15.650 1.00 0.00 H new ATOM 0 HG23 THR A 94 41.702 3.454 16.396 1.00 0.00 H new ATOM 1025 N ALA A 95 38.684 3.767 19.507 1.00 0.00 N ATOM 1026 CA ALA A 95 38.167 4.057 20.835 1.00 0.00 C ATOM 1027 C ALA A 95 36.760 3.501 20.999 1.00 0.00 C ATOM 1028 O ALA A 95 36.405 2.988 22.059 1.00 0.00 O ATOM 1029 CB ALA A 95 38.158 5.564 21.075 1.00 0.00 C ATOM 0 H ALA A 95 38.709 4.568 18.876 1.00 0.00 H new ATOM 0 HA ALA A 95 38.817 3.579 21.568 1.00 0.00 H new ATOM 0 HB1 ALA A 95 37.769 5.771 22.072 1.00 0.00 H new ATOM 0 HB2 ALA A 95 39.174 5.951 20.994 1.00 0.00 H new ATOM 0 HB3 ALA A 95 37.525 6.047 20.331 1.00 0.00 H new ATOM 1035 N CYS A 96 35.956 3.609 19.939 1.00 0.00 N ATOM 1036 CA CYS A 96 34.577 3.116 19.968 1.00 0.00 C ATOM 1037 C CYS A 96 34.345 2.133 18.832 1.00 0.00 C ATOM 1038 O CYS A 96 33.275 1.534 18.741 1.00 0.00 O ATOM 1039 CB CYS A 96 33.599 4.283 19.848 1.00 0.00 C ATOM 1040 SG CYS A 96 33.922 5.194 18.316 1.00 0.00 S ATOM 0 H CYS A 96 36.234 4.032 19.053 1.00 0.00 H new ATOM 0 HA CYS A 96 34.410 2.607 20.917 1.00 0.00 H new ATOM 0 HB2 CYS A 96 32.574 3.913 19.853 1.00 0.00 H new ATOM 0 HB3 CYS A 96 33.703 4.947 20.706 1.00 0.00 H new ATOM 0 HG CYS A 96 35.188 5.477 18.238 1.00 0.00 H new ATOM 1045 N GLN A 97 35.351 1.972 17.975 1.00 0.00 N ATOM 1046 CA GLN A 97 35.247 1.045 16.854 1.00 0.00 C ATOM 1047 C GLN A 97 34.097 1.427 15.936 1.00 0.00 C ATOM 1048 O GLN A 97 33.314 0.573 15.521 1.00 0.00 O ATOM 1049 CB GLN A 97 35.043 -0.385 17.367 1.00 0.00 C ATOM 1050 CG GLN A 97 36.301 -0.847 18.101 1.00 0.00 C ATOM 1051 CD GLN A 97 36.074 -2.231 18.697 1.00 0.00 C ATOM 1052 OE1 GLN A 97 34.990 -2.799 18.555 1.00 0.00 O ATOM 1053 NE2 GLN A 97 37.038 -2.815 19.353 1.00 0.00 N ATOM 0 H GLN A 97 36.240 2.468 18.035 1.00 0.00 H new ATOM 0 HA GLN A 97 36.176 1.097 16.287 1.00 0.00 H new ATOM 0 HB2 GLN A 97 34.184 -0.424 18.036 1.00 0.00 H new ATOM 0 HB3 GLN A 97 34.828 -1.054 16.534 1.00 0.00 H new ATOM 0 HG2 GLN A 97 37.146 -0.872 17.413 1.00 0.00 H new ATOM 0 HG3 GLN A 97 36.553 -0.138 18.890 1.00 0.00 H new ATOM 0 HE21 GLN A 97 37.935 -2.343 19.469 1.00 0.00 H new ATOM 0 HE22 GLN A 97 36.895 -3.744 19.750 1.00 0.00 H new ATOM 1062 N GLN A 98 33.996 2.716 15.621 1.00 0.00 N ATOM 1063 CA GLN A 98 32.932 3.206 14.744 1.00 0.00 C ATOM 1064 C GLN A 98 33.499 4.155 13.695 1.00 0.00 C ATOM 1065 O GLN A 98 34.423 4.919 13.970 1.00 0.00 O ATOM 1066 CB GLN A 98 31.866 3.931 15.570 1.00 0.00 C ATOM 1067 CG GLN A 98 31.136 2.924 16.461 1.00 0.00 C ATOM 1068 CD GLN A 98 30.099 3.643 17.320 1.00 0.00 C ATOM 1069 OE1 GLN A 98 29.893 4.847 17.167 1.00 0.00 O ATOM 1070 NE2 GLN A 98 29.431 2.972 18.218 1.00 0.00 N ATOM 0 H GLN A 98 34.633 3.438 15.957 1.00 0.00 H new ATOM 0 HA GLN A 98 32.480 2.352 14.239 1.00 0.00 H new ATOM 0 HB2 GLN A 98 32.329 4.705 16.182 1.00 0.00 H new ATOM 0 HB3 GLN A 98 31.156 4.429 14.910 1.00 0.00 H new ATOM 0 HG2 GLN A 98 30.649 2.167 15.846 1.00 0.00 H new ATOM 0 HG3 GLN A 98 31.851 2.404 17.099 1.00 0.00 H new ATOM 0 HE21 GLN A 98 29.604 1.974 18.342 1.00 0.00 H new ATOM 0 HE22 GLN A 98 28.736 3.445 18.795 1.00 0.00 H new ATOM 1079 N THR A 99 32.936 4.097 12.492 1.00 0.00 N ATOM 1080 CA THR A 99 33.392 4.954 11.404 1.00 0.00 C ATOM 1081 C THR A 99 32.883 6.376 11.595 1.00 0.00 C ATOM 1082 O THR A 99 31.705 6.589 11.884 1.00 0.00 O ATOM 1083 CB THR A 99 32.892 4.412 10.066 1.00 0.00 C ATOM 1084 OG1 THR A 99 33.212 3.031 9.968 1.00 0.00 O ATOM 1085 CG2 THR A 99 33.564 5.176 8.923 1.00 0.00 C ATOM 0 H THR A 99 32.169 3.471 12.247 1.00 0.00 H new ATOM 0 HA THR A 99 34.482 4.963 11.409 1.00 0.00 H new ATOM 0 HB THR A 99 31.812 4.540 10.001 1.00 0.00 H new ATOM 0 HG1 THR A 99 32.891 2.681 9.111 1.00 0.00 H new ATOM 0 HG21 THR A 99 33.208 4.790 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 99 33.319 6.235 9.000 1.00 0.00 H new ATOM 0 HG23 THR A 99 34.645 5.048 8.986 1.00 0.00 H new ATOM 1093 N LYS A 100 33.778 7.346 11.437 1.00 0.00 N ATOM 1094 CA LYS A 100 33.418 8.757 11.595 1.00 0.00 C ATOM 1095 C LYS A 100 34.061 9.611 10.518 1.00 0.00 C ATOM 1096 O LYS A 100 35.150 9.304 10.033 1.00 0.00 O ATOM 1097 CB LYS A 100 33.870 9.254 12.967 1.00 0.00 C ATOM 1098 CG LYS A 100 33.104 8.527 14.078 1.00 0.00 C ATOM 1099 CD LYS A 100 31.621 8.941 14.054 1.00 0.00 C ATOM 1100 CE LYS A 100 30.980 8.650 15.403 1.00 0.00 C ATOM 1101 NZ LYS A 100 30.998 7.181 15.653 1.00 0.00 N1+ ATOM 0 H LYS A 100 34.757 7.185 11.200 1.00 0.00 H new ATOM 0 HA LYS A 100 32.335 8.841 11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 100 34.941 9.088 13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 100 33.703 10.328 13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 100 33.191 7.449 13.945 1.00 0.00 H new ATOM 0 HG3 LYS A 100 33.541 8.765 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 100 31.535 10.002 13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 100 31.096 8.399 13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 100 31.519 9.171 16.194 1.00 0.00 H new ATOM 0 HE3 LYS A 100 29.955 9.020 15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 30.299 6.945 16.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 30.762 6.676 14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 31.945 6.895 15.973 1.00 0.00 H new ATOM 1115 N GLY A 101 33.373 10.683 10.146 1.00 0.00 N ATOM 1116 CA GLY A 101 33.885 11.581 9.118 1.00 0.00 C ATOM 1117 C GLY A 101 34.987 12.469 9.682 1.00 0.00 C ATOM 1118 O GLY A 101 35.239 12.473 10.887 1.00 0.00 O ATOM 0 H GLY A 101 32.469 10.950 10.535 1.00 0.00 H new ATOM 0 HA2 GLY A 101 34.271 11.001 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 101 33.075 12.199 8.731 1.00 0.00 H new ATOM 1122 N ILE A 102 35.637 13.226 8.805 1.00 0.00 N ATOM 1123 CA ILE A 102 36.709 14.124 9.222 1.00 0.00 C ATOM 1124 C ILE A 102 36.134 15.409 9.808 1.00 0.00 C ATOM 1125 O ILE A 102 36.856 16.210 10.403 1.00 0.00 O ATOM 1126 CB ILE A 102 37.616 14.447 8.041 1.00 0.00 C ATOM 1127 CG1 ILE A 102 36.777 14.981 6.885 1.00 0.00 C ATOM 1128 CG2 ILE A 102 38.354 13.183 7.601 1.00 0.00 C ATOM 1129 CD1 ILE A 102 37.699 15.351 5.725 1.00 0.00 C ATOM 0 H ILE A 102 35.442 13.236 7.804 1.00 0.00 H new ATOM 0 HA ILE A 102 37.297 13.624 9.992 1.00 0.00 H new ATOM 0 HB ILE A 102 38.343 15.203 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 102 36.055 14.229 6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 102 36.208 15.854 7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 102 39.002 13.416 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 102 38.956 12.807 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 102 37.630 12.424 7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 102 37.104 15.733 4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 102 38.403 16.117 6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 102 38.248 14.467 5.401 1.00 0.00 H new ATOM 1141 N ASN A 103 34.828 15.601 9.635 1.00 0.00 N ATOM 1142 CA ASN A 103 34.166 16.793 10.158 1.00 0.00 C ATOM 1143 C ASN A 103 34.174 16.790 11.685 1.00 0.00 C ATOM 1144 O ASN A 103 34.477 17.802 12.314 1.00 0.00 O ATOM 1145 CB ASN A 103 32.722 16.848 9.646 1.00 0.00 C ATOM 1146 CG ASN A 103 32.699 17.325 8.199 1.00 0.00 C ATOM 1147 OD1 ASN A 103 33.467 18.210 7.824 1.00 0.00 O ATOM 1148 ND2 ASN A 103 31.863 16.784 7.357 1.00 0.00 N ATOM 0 H ASN A 103 34.213 14.954 9.142 1.00 0.00 H new ATOM 0 HA ASN A 103 34.709 17.672 9.812 1.00 0.00 H new ATOM 0 HB2 ASN A 103 32.264 15.862 9.720 1.00 0.00 H new ATOM 0 HB3 ASN A 103 32.132 17.521 10.269 1.00 0.00 H new ATOM 0 HD21 ASN A 103 31.845 17.094 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 103 31.227 16.050 7.670 1.00 0.00 H new ATOM 1155 N GLU A 104 33.846 15.640 12.270 1.00 0.00 N ATOM 1156 CA GLU A 104 33.821 15.504 13.726 1.00 0.00 C ATOM 1157 C GLU A 104 35.154 14.989 14.228 1.00 0.00 C ATOM 1158 O GLU A 104 35.262 14.559 15.373 1.00 0.00 O ATOM 1159 CB GLU A 104 32.708 14.545 14.148 1.00 0.00 C ATOM 1160 CG GLU A 104 31.347 15.170 13.832 1.00 0.00 C ATOM 1161 CD GLU A 104 30.230 14.217 14.242 1.00 0.00 C ATOM 1162 OE1 GLU A 104 29.903 13.346 13.454 1.00 0.00 O ATOM 1163 OE2 GLU A 104 29.716 14.375 15.338 1.00 0.00 O1- ATOM 0 H GLU A 104 33.595 14.792 11.762 1.00 0.00 H new ATOM 0 HA GLU A 104 33.631 16.485 14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 104 32.814 13.595 13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 104 32.783 14.331 15.214 1.00 0.00 H new ATOM 0 HG2 GLU A 104 31.241 16.117 14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 104 31.277 15.390 12.767 1.00 0.00 H new ATOM 1170 N PHE A 105 36.171 15.039 13.367 1.00 0.00 N ATOM 1171 CA PHE A 105 37.510 14.573 13.741 1.00 0.00 C ATOM 1172 C PHE A 105 38.523 15.703 13.604 1.00 0.00 C ATOM 1173 O PHE A 105 38.666 16.299 12.536 1.00 0.00 O ATOM 1174 CB PHE A 105 37.905 13.381 12.840 1.00 0.00 C ATOM 1175 CG PHE A 105 38.094 12.140 13.664 1.00 0.00 C ATOM 1176 CD1 PHE A 105 39.337 11.861 14.224 1.00 0.00 C ATOM 1177 CD2 PHE A 105 37.017 11.278 13.873 1.00 0.00 C ATOM 1178 CE1 PHE A 105 39.505 10.713 15.000 1.00 0.00 C ATOM 1179 CE2 PHE A 105 37.184 10.134 14.649 1.00 0.00 C ATOM 1180 CZ PHE A 105 38.431 9.850 15.213 1.00 0.00 C ATOM 0 H PHE A 105 36.096 15.394 12.414 1.00 0.00 H new ATOM 0 HA PHE A 105 37.502 14.250 14.782 1.00 0.00 H new ATOM 0 HB2 PHE A 105 37.132 13.213 12.090 1.00 0.00 H new ATOM 0 HB3 PHE A 105 38.825 13.612 12.303 1.00 0.00 H new ATOM 0 HD1 PHE A 105 40.168 12.530 14.059 1.00 0.00 H new ATOM 0 HD2 PHE A 105 36.055 11.498 13.434 1.00 0.00 H new ATOM 0 HE1 PHE A 105 40.468 10.493 15.436 1.00 0.00 H new ATOM 0 HE2 PHE A 105 36.351 9.467 14.815 1.00 0.00 H new ATOM 0 HZ PHE A 105 38.562 8.962 15.814 1.00 0.00 H new ATOM 1190 N SER A 106 39.228 15.981 14.691 1.00 0.00 N ATOM 1191 CA SER A 106 40.231 17.035 14.686 1.00 0.00 C ATOM 1192 C SER A 106 41.327 16.724 13.671 1.00 0.00 C ATOM 1193 O SER A 106 41.588 15.562 13.356 1.00 0.00 O ATOM 1194 CB SER A 106 40.846 17.171 16.077 1.00 0.00 C ATOM 1195 OG SER A 106 41.831 18.195 16.056 1.00 0.00 O ATOM 0 H SER A 106 39.125 15.495 15.582 1.00 0.00 H new ATOM 0 HA SER A 106 39.749 17.972 14.408 1.00 0.00 H new ATOM 0 HB2 SER A 106 40.073 17.409 16.808 1.00 0.00 H new ATOM 0 HB3 SER A 106 41.294 16.226 16.383 1.00 0.00 H new ATOM 0 HG SER A 106 42.227 18.286 16.948 1.00 0.00 H new ATOM 1201 N LYS A 107 41.964 17.772 13.162 1.00 0.00 N ATOM 1202 CA LYS A 107 43.030 17.603 12.182 1.00 0.00 C ATOM 1203 C LYS A 107 44.195 16.825 12.784 1.00 0.00 C ATOM 1204 O LYS A 107 44.755 15.934 12.145 1.00 0.00 O ATOM 1205 CB LYS A 107 43.522 18.973 11.703 1.00 0.00 C ATOM 1206 CG LYS A 107 44.322 18.808 10.407 1.00 0.00 C ATOM 1207 CD LYS A 107 44.698 20.185 9.860 1.00 0.00 C ATOM 1208 CE LYS A 107 45.439 20.020 8.533 1.00 0.00 C ATOM 1209 NZ LYS A 107 46.766 19.388 8.779 1.00 0.00 N1+ ATOM 0 H LYS A 107 41.763 18.741 13.409 1.00 0.00 H new ATOM 0 HA LYS A 107 42.633 17.042 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 107 42.674 19.637 11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 107 44.144 19.436 12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 107 45.222 18.222 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 107 43.733 18.261 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 107 43.802 20.788 9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 107 45.326 20.714 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 107 44.852 19.405 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 107 45.570 20.991 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 47.373 19.519 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 47.214 19.832 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.639 18.371 8.958 1.00 0.00 H new ATOM 1223 N ALA A 108 44.555 17.166 14.016 1.00 0.00 N ATOM 1224 CA ALA A 108 45.656 16.493 14.696 1.00 0.00 C ATOM 1225 C ALA A 108 45.331 15.019 14.911 1.00 0.00 C ATOM 1226 O ALA A 108 46.205 14.158 14.814 1.00 0.00 O ATOM 1227 CB ALA A 108 45.923 17.160 16.046 1.00 0.00 C ATOM 0 H ALA A 108 44.104 17.900 14.562 1.00 0.00 H new ATOM 0 HA ALA A 108 46.546 16.571 14.071 1.00 0.00 H new ATOM 0 HB1 ALA A 108 46.747 16.651 16.547 1.00 0.00 H new ATOM 0 HB2 ALA A 108 46.185 18.206 15.889 1.00 0.00 H new ATOM 0 HB3 ALA A 108 45.028 17.099 16.665 1.00 0.00 H new ATOM 1233 N GLN A 109 44.065 14.735 15.200 1.00 0.00 N ATOM 1234 CA GLN A 109 43.630 13.360 15.422 1.00 0.00 C ATOM 1235 C GLN A 109 43.808 12.529 14.155 1.00 0.00 C ATOM 1236 O GLN A 109 43.938 11.307 14.217 1.00 0.00 O ATOM 1237 CB GLN A 109 42.164 13.340 15.859 1.00 0.00 C ATOM 1238 CG GLN A 109 42.057 13.745 17.331 1.00 0.00 C ATOM 1239 CD GLN A 109 40.591 13.904 17.719 1.00 0.00 C ATOM 1240 OE1 GLN A 109 40.276 14.076 18.896 1.00 0.00 O ATOM 1241 NE2 GLN A 109 39.671 13.852 16.795 1.00 0.00 N ATOM 0 H GLN A 109 43.326 15.433 15.286 1.00 0.00 H new ATOM 0 HA GLN A 109 44.245 12.925 16.210 1.00 0.00 H new ATOM 0 HB2 GLN A 109 41.581 14.023 15.241 1.00 0.00 H new ATOM 0 HB3 GLN A 109 41.745 12.344 15.715 1.00 0.00 H new ATOM 0 HG2 GLN A 109 42.529 12.991 17.960 1.00 0.00 H new ATOM 0 HG3 GLN A 109 42.591 14.680 17.500 1.00 0.00 H new ATOM 0 HE21 GLN A 109 39.935 13.709 15.820 1.00 0.00 H new ATOM 0 HE22 GLN A 109 38.688 13.954 17.048 1.00 0.00 H new ATOM 1250 N ARG A 110 43.818 13.196 13.013 1.00 0.00 N ATOM 1251 CA ARG A 110 43.993 12.515 11.736 1.00 0.00 C ATOM 1252 C ARG A 110 45.470 12.224 11.483 1.00 0.00 C ATOM 1253 O ARG A 110 45.818 11.215 10.868 1.00 0.00 O ATOM 1254 CB ARG A 110 43.430 13.374 10.596 1.00 0.00 C ATOM 1255 CG ARG A 110 43.544 12.608 9.277 1.00 0.00 C ATOM 1256 CD ARG A 110 42.932 13.443 8.152 1.00 0.00 C ATOM 1257 NE ARG A 110 42.873 12.663 6.923 1.00 0.00 N ATOM 1258 CZ ARG A 110 42.473 13.211 5.782 1.00 0.00 C ATOM 1259 NH1 ARG A 110 42.129 14.469 5.749 1.00 0.00 N ATOM 1260 NH2 ARG A 110 42.427 12.492 4.694 1.00 0.00 N1+ ATOM 0 H ARG A 110 43.707 14.207 12.941 1.00 0.00 H new ATOM 0 HA ARG A 110 43.450 11.570 11.773 1.00 0.00 H new ATOM 0 HB2 ARG A 110 42.388 13.624 10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 110 43.977 14.315 10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 110 44.590 12.393 9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 110 43.031 11.650 9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 110 41.930 13.768 8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 110 43.526 14.343 7.992 1.00 0.00 H new ATOM 0 HE ARG A 110 43.143 11.680 6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 110 42.168 15.031 6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 110 41.822 14.891 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 110 42.698 11.509 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 110 42.120 12.913 3.817 1.00 0.00 H new ATOM 1274 N HIS A 111 46.335 13.123 11.944 1.00 0.00 N ATOM 1275 CA HIS A 111 47.772 12.956 11.748 1.00 0.00 C ATOM 1276 C HIS A 111 48.308 11.777 12.552 1.00 0.00 C ATOM 1277 O HIS A 111 49.077 10.962 12.039 1.00 0.00 O ATOM 1278 CB HIS A 111 48.502 14.231 12.168 1.00 0.00 C ATOM 1279 CG HIS A 111 49.980 14.062 11.941 1.00 0.00 C ATOM 1280 ND1 HIS A 111 50.882 13.959 12.989 1.00 0.00 N ATOM 1281 CD2 HIS A 111 50.729 13.975 10.793 1.00 0.00 C ATOM 1282 CE1 HIS A 111 52.109 13.816 12.456 1.00 0.00 C ATOM 1283 NE2 HIS A 111 52.073 13.820 11.121 1.00 0.00 N ATOM 0 H HIS A 111 46.070 13.967 12.451 1.00 0.00 H new ATOM 0 HA HIS A 111 47.947 12.758 10.691 1.00 0.00 H new ATOM 0 HB2 HIS A 111 48.130 15.081 11.595 1.00 0.00 H new ATOM 0 HB3 HIS A 111 48.307 14.445 13.219 1.00 0.00 H new ATOM 0 HD2 HIS A 111 50.335 14.020 9.788 1.00 0.00 H new ATOM 0 HE1 HIS A 111 53.013 13.711 13.037 1.00 0.00 H new ATOM 0 HE2 HIS A 111 52.861 13.729 10.480 1.00 0.00 H new ATOM 1291 N VAL A 112 47.901 11.692 13.814 1.00 0.00 N ATOM 1292 CA VAL A 112 48.353 10.610 14.682 1.00 0.00 C ATOM 1293 C VAL A 112 48.066 9.258 14.043 1.00 0.00 C ATOM 1294 O VAL A 112 47.242 9.150 13.134 1.00 0.00 O ATOM 1295 CB VAL A 112 47.654 10.697 16.039 1.00 0.00 C ATOM 1296 CG1 VAL A 112 48.172 11.918 16.802 1.00 0.00 C ATOM 1297 CG2 VAL A 112 46.154 10.846 15.821 1.00 0.00 C ATOM 0 H VAL A 112 47.264 12.354 14.257 1.00 0.00 H new ATOM 0 HA VAL A 112 49.429 10.711 14.825 1.00 0.00 H new ATOM 0 HB VAL A 112 47.858 9.793 16.612 1.00 0.00 H new ATOM 0 HG11 VAL A 112 47.674 11.981 17.770 1.00 0.00 H new ATOM 0 HG12 VAL A 112 49.247 11.824 16.953 1.00 0.00 H new ATOM 0 HG13 VAL A 112 47.964 12.821 16.228 1.00 0.00 H new ATOM 0 HG21 VAL A 112 45.651 10.908 16.786 1.00 0.00 H new ATOM 0 HG22 VAL A 112 45.958 11.753 15.250 1.00 0.00 H new ATOM 0 HG23 VAL A 112 45.779 9.983 15.271 1.00 0.00 H new ATOM 1307 N LEU A 113 48.761 8.229 14.517 1.00 0.00 N ATOM 1308 CA LEU A 113 48.582 6.886 13.979 1.00 0.00 C ATOM 1309 C LEU A 113 47.369 6.215 14.600 1.00 0.00 C ATOM 1310 O LEU A 113 46.924 5.169 14.132 1.00 0.00 O ATOM 1311 CB LEU A 113 49.825 6.043 14.264 1.00 0.00 C ATOM 1312 CG LEU A 113 51.057 6.727 13.661 1.00 0.00 C ATOM 1313 CD1 LEU A 113 52.312 5.934 14.034 1.00 0.00 C ATOM 1314 CD2 LEU A 113 50.926 6.791 12.128 1.00 0.00 C ATOM 0 H LEU A 113 49.449 8.298 15.267 1.00 0.00 H new ATOM 0 HA LEU A 113 48.429 6.966 12.903 1.00 0.00 H new ATOM 0 HB2 LEU A 113 49.955 5.919 15.339 1.00 0.00 H new ATOM 0 HB3 LEU A 113 49.706 5.046 13.840 1.00 0.00 H new ATOM 0 HG LEU A 113 51.133 7.741 14.055 1.00 0.00 H new ATOM 0 HD11 LEU A 113 53.189 6.419 13.606 1.00 0.00 H new ATOM 0 HD12 LEU A 113 52.410 5.898 15.119 1.00 0.00 H new ATOM 0 HD13 LEU A 113 52.231 4.920 13.643 1.00 0.00 H new ATOM 0 HD21 LEU A 113 51.806 7.279 11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 113 50.845 5.781 11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 113 50.035 7.359 11.862 1.00 0.00 H new ATOM 1326 N ASP A 114 46.827 6.823 15.653 1.00 0.00 N ATOM 1327 CA ASP A 114 45.651 6.272 16.329 1.00 0.00 C ATOM 1328 C ASP A 114 44.623 7.372 16.571 1.00 0.00 C ATOM 1329 O ASP A 114 44.499 7.887 17.683 1.00 0.00 O ATOM 1330 CB ASP A 114 46.064 5.655 17.665 1.00 0.00 C ATOM 1331 CG ASP A 114 44.950 4.755 18.187 1.00 0.00 C ATOM 1332 OD1 ASP A 114 44.312 4.104 17.374 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 44.748 4.732 19.388 1.00 0.00 O ATOM 0 H ASP A 114 47.179 7.691 16.056 1.00 0.00 H new ATOM 0 HA ASP A 114 45.208 5.503 15.696 1.00 0.00 H new ATOM 0 HB2 ASP A 114 46.981 5.079 17.541 1.00 0.00 H new ATOM 0 HB3 ASP A 114 46.277 6.442 18.389 1.00 0.00 H new ATOM 1338 N PRO A 115 43.897 7.741 15.552 1.00 0.00 N ATOM 1339 CA PRO A 115 42.861 8.810 15.644 1.00 0.00 C ATOM 1340 C PRO A 115 41.774 8.472 16.663 1.00 0.00 C ATOM 1341 O PRO A 115 41.370 7.317 16.795 1.00 0.00 O ATOM 1342 CB PRO A 115 42.273 8.877 14.219 1.00 0.00 C ATOM 1343 CG PRO A 115 43.299 8.237 13.337 1.00 0.00 C ATOM 1344 CD PRO A 115 43.983 7.184 14.196 1.00 0.00 C ATOM 0 HA PRO A 115 43.282 9.757 15.981 1.00 0.00 H new ATOM 0 HB2 PRO A 115 41.321 8.350 14.161 1.00 0.00 H new ATOM 0 HB3 PRO A 115 42.085 9.908 13.919 1.00 0.00 H new ATOM 0 HG2 PRO A 115 42.835 7.785 12.460 1.00 0.00 H new ATOM 0 HG3 PRO A 115 44.017 8.973 12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 115 43.480 6.220 14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 115 45.018 7.027 13.891 1.00 0.00 H new ATOM 1352 N ARG A 116 41.302 9.491 17.372 1.00 0.00 N ATOM 1353 CA ARG A 116 40.249 9.302 18.369 1.00 0.00 C ATOM 1354 C ARG A 116 39.149 10.344 18.192 1.00 0.00 C ATOM 1355 O ARG A 116 39.419 11.544 18.139 1.00 0.00 O ATOM 1356 CB ARG A 116 40.841 9.415 19.773 1.00 0.00 C ATOM 1357 CG ARG A 116 41.810 8.256 20.012 1.00 0.00 C ATOM 1358 CD ARG A 116 42.403 8.366 21.417 1.00 0.00 C ATOM 1359 NE ARG A 116 43.345 7.277 21.652 1.00 0.00 N ATOM 1360 CZ ARG A 116 43.769 6.991 22.879 1.00 0.00 C ATOM 1361 NH1 ARG A 116 43.343 7.688 23.896 1.00 0.00 N ATOM 1362 NH2 ARG A 116 44.612 6.013 23.066 1.00 0.00 N1+ ATOM 0 H ARG A 116 41.628 10.453 17.278 1.00 0.00 H new ATOM 0 HA ARG A 116 39.817 8.311 18.234 1.00 0.00 H new ATOM 0 HB2 ARG A 116 41.361 10.367 19.885 1.00 0.00 H new ATOM 0 HB3 ARG A 116 40.045 9.397 20.517 1.00 0.00 H new ATOM 0 HG2 ARG A 116 41.290 7.305 19.899 1.00 0.00 H new ATOM 0 HG3 ARG A 116 42.606 8.275 19.268 1.00 0.00 H new ATOM 0 HD2 ARG A 116 42.908 9.325 21.533 1.00 0.00 H new ATOM 0 HD3 ARG A 116 41.606 8.334 22.160 1.00 0.00 H new ATOM 0 HE ARG A 116 43.683 6.727 20.863 1.00 0.00 H new ATOM 0 HH11 ARG A 116 42.684 8.453 23.750 1.00 0.00 H new ATOM 0 HH12 ARG A 116 43.669 7.468 24.837 1.00 0.00 H new ATOM 0 HH21 ARG A 116 44.946 5.468 22.271 1.00 0.00 H new ATOM 0 HH22 ARG A 116 44.938 5.793 24.007 1.00 0.00 H new ATOM 1376 N CYS A 117 37.907 9.875 18.107 1.00 0.00 N ATOM 1377 CA CYS A 117 36.771 10.778 17.942 1.00 0.00 C ATOM 1378 C CYS A 117 36.841 11.921 18.948 1.00 0.00 C ATOM 1379 O CYS A 117 37.297 11.739 20.077 1.00 0.00 O ATOM 1380 CB CYS A 117 35.460 10.011 18.139 1.00 0.00 C ATOM 1381 SG CYS A 117 35.518 8.450 17.228 1.00 0.00 S ATOM 0 H CYS A 117 37.663 8.886 18.149 1.00 0.00 H new ATOM 0 HA CYS A 117 36.807 11.191 16.934 1.00 0.00 H new ATOM 0 HB2 CYS A 117 35.297 9.818 19.199 1.00 0.00 H new ATOM 0 HB3 CYS A 117 34.620 10.613 17.792 1.00 0.00 H new ATOM 0 HG CYS A 117 36.347 7.637 17.813 1.00 0.00 H new ATOM 1386 N GLN A 118 36.384 13.103 18.529 1.00 0.00 N ATOM 1387 CA GLN A 118 36.403 14.265 19.407 1.00 0.00 C ATOM 1388 C GLN A 118 35.604 13.988 20.675 1.00 0.00 C ATOM 1389 O GLN A 118 35.788 14.655 21.692 1.00 0.00 O ATOM 1390 CB GLN A 118 35.821 15.477 18.682 1.00 0.00 C ATOM 1391 CG GLN A 118 36.786 15.922 17.585 1.00 0.00 C ATOM 1392 CD GLN A 118 36.198 17.104 16.826 1.00 0.00 C ATOM 1393 OE1 GLN A 118 35.100 17.009 16.278 1.00 0.00 O ATOM 1394 NE2 GLN A 118 36.868 18.219 16.761 1.00 0.00 N ATOM 0 H GLN A 118 36.002 13.276 17.599 1.00 0.00 H new ATOM 0 HA GLN A 118 37.436 14.474 19.683 1.00 0.00 H new ATOM 0 HB2 GLN A 118 34.852 15.226 18.250 1.00 0.00 H new ATOM 0 HB3 GLN A 118 35.654 16.291 19.387 1.00 0.00 H new ATOM 0 HG2 GLN A 118 37.745 16.200 18.023 1.00 0.00 H new ATOM 0 HG3 GLN A 118 36.976 15.097 16.899 1.00 0.00 H new ATOM 0 HE21 GLN A 118 37.778 18.295 17.216 1.00 0.00 H new ATOM 0 HE22 GLN A 118 36.483 19.017 16.255 1.00 0.00 H new ATOM 1403 N ILE A 119 34.727 12.993 20.612 1.00 0.00 N ATOM 1404 CA ILE A 119 33.912 12.619 21.768 1.00 0.00 C ATOM 1405 C ILE A 119 34.625 11.559 22.604 1.00 0.00 C ATOM 1406 O ILE A 119 34.533 11.555 23.831 1.00 0.00 O ATOM 1407 CB ILE A 119 32.555 12.088 21.306 1.00 0.00 C ATOM 1408 CG1 ILE A 119 31.748 13.237 20.692 1.00 0.00 C ATOM 1409 CG2 ILE A 119 31.792 11.511 22.502 1.00 0.00 C ATOM 1410 CD1 ILE A 119 32.448 13.759 19.428 1.00 0.00 C ATOM 0 H ILE A 119 34.560 12.431 19.777 1.00 0.00 H new ATOM 0 HA ILE A 119 33.758 13.506 22.383 1.00 0.00 H new ATOM 0 HB ILE A 119 32.704 11.304 20.563 1.00 0.00 H new ATOM 0 HG12 ILE A 119 30.743 12.894 20.445 1.00 0.00 H new ATOM 0 HG13 ILE A 119 31.641 14.044 21.417 1.00 0.00 H new ATOM 0 HG21 ILE A 119 30.825 11.133 22.169 1.00 0.00 H new ATOM 0 HG22 ILE A 119 32.368 10.697 22.942 1.00 0.00 H new ATOM 0 HG23 ILE A 119 31.639 12.292 23.247 1.00 0.00 H new ATOM 0 HD11 ILE A 119 31.866 14.575 19.000 1.00 0.00 H new ATOM 0 HD12 ILE A 119 33.444 14.120 19.686 1.00 0.00 H new ATOM 0 HD13 ILE A 119 32.532 12.953 18.699 1.00 0.00 H new ATOM 1422 N CYS A 120 35.326 10.655 21.925 1.00 0.00 N ATOM 1423 CA CYS A 120 36.045 9.585 22.607 1.00 0.00 C ATOM 1424 C CYS A 120 37.185 10.143 23.453 1.00 0.00 C ATOM 1425 O CYS A 120 37.461 9.648 24.546 1.00 0.00 O ATOM 1426 CB CYS A 120 36.598 8.580 21.589 1.00 0.00 C ATOM 1427 SG CYS A 120 35.228 7.644 20.860 1.00 0.00 S ATOM 0 H CYS A 120 35.411 10.642 20.909 1.00 0.00 H new ATOM 0 HA CYS A 120 35.342 9.077 23.267 1.00 0.00 H new ATOM 0 HB2 CYS A 120 37.151 9.103 20.809 1.00 0.00 H new ATOM 0 HB3 CYS A 120 37.298 7.901 22.076 1.00 0.00 H new ATOM 0 HG CYS A 120 35.282 7.734 19.564 1.00 0.00 H new ATOM 1432 N VAL A 121 37.839 11.175 22.940 1.00 0.00 N ATOM 1433 CA VAL A 121 38.949 11.797 23.653 1.00 0.00 C ATOM 1434 C VAL A 121 38.467 12.426 24.955 1.00 0.00 C ATOM 1435 O VAL A 121 39.156 12.372 25.973 1.00 0.00 O ATOM 1436 CB VAL A 121 39.605 12.869 22.777 1.00 0.00 C ATOM 1437 CG1 VAL A 121 40.242 12.207 21.553 1.00 0.00 C ATOM 1438 CG2 VAL A 121 38.543 13.866 22.316 1.00 0.00 C ATOM 0 H VAL A 121 37.623 11.599 22.038 1.00 0.00 H new ATOM 0 HA VAL A 121 39.681 11.024 23.886 1.00 0.00 H new ATOM 0 HB VAL A 121 40.372 13.389 23.351 1.00 0.00 H new ATOM 0 HG11 VAL A 121 40.709 12.969 20.929 1.00 0.00 H new ATOM 0 HG12 VAL A 121 40.997 11.491 21.878 1.00 0.00 H new ATOM 0 HG13 VAL A 121 39.474 11.689 20.979 1.00 0.00 H new ATOM 0 HG21 VAL A 121 39.007 14.630 21.692 1.00 0.00 H new ATOM 0 HG22 VAL A 121 37.779 13.343 21.741 1.00 0.00 H new ATOM 0 HG23 VAL A 121 38.084 14.337 23.185 1.00 0.00 H new ATOM 1448 N HIS A 122 37.280 13.024 24.916 1.00 0.00 N ATOM 1449 CA HIS A 122 36.716 13.663 26.100 1.00 0.00 C ATOM 1450 C HIS A 122 36.056 12.629 27.002 1.00 0.00 C ATOM 1451 O HIS A 122 35.469 12.974 28.026 1.00 0.00 O ATOM 1452 CB HIS A 122 35.682 14.711 25.685 1.00 0.00 C ATOM 1453 CG HIS A 122 35.071 15.324 26.915 1.00 0.00 C ATOM 1454 ND1 HIS A 122 35.764 16.214 27.721 1.00 0.00 N ATOM 1455 CD2 HIS A 122 33.833 15.183 27.490 1.00 0.00 C ATOM 1456 CE1 HIS A 122 34.945 16.572 28.726 1.00 0.00 C ATOM 1457 NE2 HIS A 122 33.755 15.973 28.634 1.00 0.00 N ATOM 0 H HIS A 122 36.694 13.079 24.083 1.00 0.00 H new ATOM 0 HA HIS A 122 37.525 14.146 26.649 1.00 0.00 H new ATOM 0 HB2 HIS A 122 36.154 15.483 25.077 1.00 0.00 H new ATOM 0 HB3 HIS A 122 34.907 14.251 25.071 1.00 0.00 H new ATOM 0 HD2 HIS A 122 33.040 14.555 27.113 1.00 0.00 H new ATOM 0 HE1 HIS A 122 35.217 17.261 29.512 1.00 0.00 H new ATOM 0 HE2 HIS A 122 32.960 16.073 29.266 1.00 0.00 H new