USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot -176:sc= 1.8 USER MOD Set 1.2: A 61 THR OG1 : rot 60:sc= 1.96 USER MOD Single : A 9 GLN : amide:sc= -3.27! C(o=-3.3!,f=-4.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.27) USER MOD Single : A 26 SER OG : rot 155:sc= -0.944 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 170:sc= -0.343 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 41 GLN : amide:sc= -5.59! C(o=-5.6!,f=-5.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 48 THR OG1 : rot -111:sc= -0.798 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.175) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -6.55! C(o=-6.6!,f=-9.1!) USER MOD Single : A 70 HIS : no HE2:sc= -6.19! C(o=-6.2!,f=-6.1!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.105 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0.64 (180deg=0.451) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.295 -19.749 -0.180 1.00 0.00 N ATOM 67 CA ASP A 8 1.509 -19.208 1.152 1.00 0.00 C ATOM 68 C ASP A 8 1.350 -17.687 1.112 1.00 0.00 C ATOM 69 O ASP A 8 0.449 -17.136 1.742 1.00 0.00 O ATOM 70 CB ASP A 8 2.918 -19.524 1.655 1.00 0.00 C ATOM 71 CG ASP A 8 3.181 -21.000 1.959 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.736 -21.444 3.040 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.821 -21.651 1.105 1.00 0.00 O ATOM 0 HA ASP A 8 0.778 -19.661 1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.638 -19.189 0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.103 -18.944 2.559 1.00 0.00 H new ATOM 78 N GLN A 9 2.240 -17.051 0.364 1.00 0.00 N ATOM 79 CA GLN A 9 2.211 -15.604 0.234 1.00 0.00 C ATOM 80 C GLN A 9 0.971 -15.167 -0.550 1.00 0.00 C ATOM 81 O GLN A 9 0.423 -14.094 -0.302 1.00 0.00 O ATOM 82 CB GLN A 9 3.489 -15.087 -0.429 1.00 0.00 C ATOM 83 CG GLN A 9 3.626 -15.628 -1.853 1.00 0.00 C ATOM 84 CD GLN A 9 4.934 -15.161 -2.494 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.980 -14.199 -3.243 1.00 0.00 O ATOM 86 NE2 GLN A 9 5.992 -15.894 -2.159 1.00 0.00 N ATOM 0 H GLN A 9 2.986 -17.511 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 9 2.158 -15.170 1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.477 -13.997 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.355 -15.385 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.594 -16.717 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.782 -15.293 -2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.884 -16.687 -1.526 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.912 -15.663 -2.535 1.00 0.00 H new ATOM 95 N LYS A 10 0.567 -16.020 -1.479 1.00 0.00 N ATOM 96 CA LYS A 10 -0.597 -15.736 -2.301 1.00 0.00 C ATOM 97 C LYS A 10 -1.776 -15.368 -1.397 1.00 0.00 C ATOM 98 O LYS A 10 -2.525 -14.438 -1.694 1.00 0.00 O ATOM 99 CB LYS A 10 -0.887 -16.905 -3.244 1.00 0.00 C ATOM 100 CG LYS A 10 -0.730 -16.482 -4.706 1.00 0.00 C ATOM 101 CD LYS A 10 -2.089 -16.180 -5.338 1.00 0.00 C ATOM 102 CE LYS A 10 -1.932 -15.756 -6.800 1.00 0.00 C ATOM 103 NZ LYS A 10 -3.070 -16.249 -7.608 1.00 0.00 N ATOM 0 H LYS A 10 1.025 -16.909 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.407 -14.878 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.209 -17.730 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.900 -17.271 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.093 -15.600 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.232 -17.274 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.726 -17.062 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.587 -15.389 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.876 -14.669 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.997 -16.148 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.948 -15.952 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.106 -17.287 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.957 -15.854 -7.236 1.00 0.00 H new ATOM 117 N LYS A 11 -1.904 -16.117 -0.311 1.00 0.00 N ATOM 118 CA LYS A 11 -2.979 -15.882 0.637 1.00 0.00 C ATOM 119 C LYS A 11 -2.720 -14.569 1.380 1.00 0.00 C ATOM 120 O LYS A 11 -3.646 -13.799 1.629 1.00 0.00 O ATOM 121 CB LYS A 11 -3.151 -17.088 1.562 1.00 0.00 C ATOM 122 CG LYS A 11 -3.920 -18.210 0.863 1.00 0.00 C ATOM 123 CD LYS A 11 -3.977 -19.464 1.738 1.00 0.00 C ATOM 124 CE LYS A 11 -4.149 -20.722 0.883 1.00 0.00 C ATOM 125 NZ LYS A 11 -3.262 -21.803 1.368 1.00 0.00 N ATOM 0 H LYS A 11 -1.281 -16.887 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.930 -15.772 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.173 -17.453 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.682 -16.786 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.932 -17.875 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.441 -18.447 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.063 -19.543 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.805 -19.383 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.187 -21.053 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.920 -20.495 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.391 -22.649 0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.272 -21.490 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.499 -22.030 2.355 1.00 0.00 H new ATOM 139 N PHE A 12 -1.456 -14.355 1.713 1.00 0.00 N ATOM 140 CA PHE A 12 -1.063 -13.149 2.422 1.00 0.00 C ATOM 141 C PHE A 12 -1.302 -11.905 1.563 1.00 0.00 C ATOM 142 O PHE A 12 -1.988 -10.976 1.987 1.00 0.00 O ATOM 143 CB PHE A 12 0.433 -13.271 2.718 1.00 0.00 C ATOM 144 CG PHE A 12 1.082 -11.969 3.194 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.459 -11.027 2.289 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.281 -11.755 4.522 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.060 -9.819 2.731 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.883 -10.547 4.964 1.00 0.00 C ATOM 149 CZ PHE A 12 2.260 -9.605 4.059 1.00 0.00 C ATOM 0 H PHE A 12 -0.691 -14.996 1.505 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.651 -13.046 3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.581 -14.038 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.944 -13.612 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.301 -11.198 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.981 -12.504 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.358 -9.070 2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.041 -10.377 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.718 -8.687 4.395 1.00 0.00 H new ATOM 159 N ILE A 13 -0.722 -11.928 0.372 1.00 0.00 N ATOM 160 CA ILE A 13 -0.863 -10.814 -0.550 1.00 0.00 C ATOM 161 C ILE A 13 -2.349 -10.543 -0.793 1.00 0.00 C ATOM 162 O ILE A 13 -2.803 -9.406 -0.680 1.00 0.00 O ATOM 163 CB ILE A 13 -0.068 -11.075 -1.831 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.213 -9.769 -2.578 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.777 -12.101 -2.717 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.255 -8.928 -1.838 1.00 0.00 C ATOM 0 H ILE A 13 -0.154 -12.700 0.024 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.440 -9.907 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 13 0.896 -11.501 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.567 -9.991 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.711 -9.200 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.191 -12.268 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.882 -13.040 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.764 -11.727 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.437 -8.006 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.887 -8.688 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.185 -9.491 -1.756 1.00 0.00 H new ATOM 178 N ASP A 14 -3.066 -11.608 -1.122 1.00 0.00 N ATOM 179 CA ASP A 14 -4.491 -11.500 -1.381 1.00 0.00 C ATOM 180 C ASP A 14 -5.156 -10.727 -0.241 1.00 0.00 C ATOM 181 O ASP A 14 -5.822 -9.720 -0.474 1.00 0.00 O ATOM 182 CB ASP A 14 -5.143 -12.882 -1.459 1.00 0.00 C ATOM 183 CG ASP A 14 -5.544 -13.329 -2.866 1.00 0.00 C ATOM 184 OD1 ASP A 14 -4.824 -12.943 -3.812 1.00 0.00 O ATOM 185 OD2 ASP A 14 -6.563 -14.047 -2.965 1.00 0.00 O ATOM 0 H ASP A 14 -2.686 -12.550 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.622 -10.985 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.453 -13.617 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.031 -12.885 -0.826 1.00 0.00 H new ATOM 190 N GLN A 15 -4.951 -11.228 0.969 1.00 0.00 N ATOM 191 CA GLN A 15 -5.522 -10.597 2.147 1.00 0.00 C ATOM 192 C GLN A 15 -5.283 -9.086 2.108 1.00 0.00 C ATOM 193 O GLN A 15 -6.166 -8.305 2.460 1.00 0.00 O ATOM 194 CB GLN A 15 -4.953 -11.210 3.428 1.00 0.00 C ATOM 195 CG GLN A 15 -5.501 -12.621 3.651 1.00 0.00 C ATOM 196 CD GLN A 15 -6.152 -12.744 5.030 1.00 0.00 C ATOM 197 OE1 GLN A 15 -6.977 -11.939 5.430 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.736 -13.794 5.733 1.00 0.00 N ATOM 0 H GLN A 15 -4.397 -12.063 1.159 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.597 -10.775 2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.865 -11.244 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.205 -10.579 4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.232 -12.858 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.693 -13.347 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.042 -14.429 5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.111 -13.964 6.666 1.00 0.00 H new ATOM 207 N VAL A 16 -4.084 -8.720 1.678 1.00 0.00 N ATOM 208 CA VAL A 16 -3.718 -7.317 1.589 1.00 0.00 C ATOM 209 C VAL A 16 -4.554 -6.644 0.499 1.00 0.00 C ATOM 210 O VAL A 16 -5.131 -5.581 0.722 1.00 0.00 O ATOM 211 CB VAL A 16 -2.212 -7.183 1.355 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.813 -5.717 1.172 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.420 -7.827 2.495 1.00 0.00 C ATOM 0 H VAL A 16 -3.354 -9.371 1.388 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.935 -6.806 2.527 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.968 -7.714 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.738 -5.650 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.338 -5.302 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.079 -5.153 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.353 -7.718 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.672 -7.337 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.670 -8.886 2.559 1.00 0.00 H new ATOM 223 N ILE A 17 -4.593 -7.291 -0.656 1.00 0.00 N ATOM 224 CA ILE A 17 -5.349 -6.768 -1.781 1.00 0.00 C ATOM 225 C ILE A 17 -6.679 -6.202 -1.278 1.00 0.00 C ATOM 226 O ILE A 17 -7.045 -5.077 -1.613 1.00 0.00 O ATOM 227 CB ILE A 17 -5.506 -7.837 -2.864 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.142 -8.352 -3.328 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.349 -7.317 -4.030 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.131 -7.209 -3.435 1.00 0.00 C ATOM 0 H ILE A 17 -4.113 -8.173 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.810 -5.946 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.040 -8.684 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.775 -9.102 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.245 -8.843 -4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.445 -8.097 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.339 -7.039 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.865 -6.444 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.170 -7.603 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.489 -6.473 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.012 -6.736 -2.460 1.00 0.00 H new ATOM 242 N GLU A 18 -7.365 -7.009 -0.482 1.00 0.00 N ATOM 243 CA GLU A 18 -8.646 -6.603 0.071 1.00 0.00 C ATOM 244 C GLU A 18 -8.517 -5.249 0.771 1.00 0.00 C ATOM 245 O GLU A 18 -9.263 -4.318 0.472 1.00 0.00 O ATOM 246 CB GLU A 18 -9.192 -7.665 1.027 1.00 0.00 C ATOM 247 CG GLU A 18 -9.616 -8.923 0.266 1.00 0.00 C ATOM 248 CD GLU A 18 -11.136 -8.975 0.097 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.802 -9.379 1.075 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.598 -8.609 -1.005 1.00 0.00 O ATOM 0 H GLU A 18 -7.058 -7.942 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.357 -6.500 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.431 -7.921 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.044 -7.263 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.137 -8.939 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.276 -9.809 0.802 1.00 0.00 H new ATOM 257 N LYS A 19 -7.564 -5.182 1.690 1.00 0.00 N ATOM 258 CA LYS A 19 -7.328 -3.957 2.435 1.00 0.00 C ATOM 259 C LYS A 19 -7.181 -2.791 1.456 1.00 0.00 C ATOM 260 O LYS A 19 -7.706 -1.705 1.696 1.00 0.00 O ATOM 261 CB LYS A 19 -6.133 -4.125 3.376 1.00 0.00 C ATOM 262 CG LYS A 19 -6.500 -4.997 4.578 1.00 0.00 C ATOM 263 CD LYS A 19 -5.267 -5.711 5.135 1.00 0.00 C ATOM 264 CE LYS A 19 -5.431 -6.007 6.627 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.674 -7.222 7.001 1.00 0.00 N ATOM 0 H LYS A 19 -6.947 -5.956 1.935 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.180 -3.730 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.301 -4.576 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.797 -3.147 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.949 -4.380 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.248 -5.733 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.105 -6.642 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.383 -5.093 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.079 -5.158 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.487 -6.142 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.796 -7.408 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.028 -8.033 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.665 -7.080 6.794 1.00 0.00 H new ATOM 279 N ILE A 20 -6.463 -3.054 0.374 1.00 0.00 N ATOM 280 CA ILE A 20 -6.240 -2.039 -0.642 1.00 0.00 C ATOM 281 C ILE A 20 -7.578 -1.665 -1.284 1.00 0.00 C ATOM 282 O ILE A 20 -7.984 -0.505 -1.248 1.00 0.00 O ATOM 283 CB ILE A 20 -5.186 -2.509 -1.646 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.805 -2.590 -0.993 1.00 0.00 C ATOM 285 CG2 ILE A 20 -5.180 -1.620 -2.891 1.00 0.00 C ATOM 286 CD1 ILE A 20 -3.032 -3.812 -1.493 1.00 0.00 C ATOM 0 H ILE A 20 -6.028 -3.956 0.179 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.836 -1.132 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.448 -3.516 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.241 -1.684 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.914 -2.642 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.422 -1.976 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.159 -1.657 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.955 -0.593 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.054 -3.845 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.587 -4.718 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.904 -3.744 -2.573 1.00 0.00 H new ATOM 298 N GLU A 21 -8.224 -2.669 -1.858 1.00 0.00 N ATOM 299 CA GLU A 21 -9.507 -2.460 -2.507 1.00 0.00 C ATOM 300 C GLU A 21 -10.325 -1.416 -1.743 1.00 0.00 C ATOM 301 O GLU A 21 -10.606 -0.339 -2.266 1.00 0.00 O ATOM 302 CB GLU A 21 -10.278 -3.775 -2.635 1.00 0.00 C ATOM 303 CG GLU A 21 -9.867 -4.532 -3.899 1.00 0.00 C ATOM 304 CD GLU A 21 -10.770 -4.163 -5.077 1.00 0.00 C ATOM 305 OE1 GLU A 21 -12.001 -4.318 -4.919 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.210 -3.735 -6.109 1.00 0.00 O ATOM 0 H GLU A 21 -7.883 -3.630 -1.887 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.325 -2.085 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.092 -4.396 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.349 -3.572 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.830 -4.301 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.920 -5.606 -3.718 1.00 0.00 H new ATOM 313 N ASP A 22 -10.682 -1.772 -0.518 1.00 0.00 N ATOM 314 CA ASP A 22 -11.462 -0.880 0.322 1.00 0.00 C ATOM 315 C ASP A 22 -10.853 0.523 0.273 1.00 0.00 C ATOM 316 O ASP A 22 -11.518 1.479 -0.120 1.00 0.00 O ATOM 317 CB ASP A 22 -11.454 -1.348 1.779 1.00 0.00 C ATOM 318 CG ASP A 22 -12.697 -0.970 2.587 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.034 0.234 2.579 1.00 0.00 O ATOM 320 OD2 ASP A 22 -13.281 -1.893 3.195 1.00 0.00 O ATOM 0 H ASP A 22 -10.445 -2.666 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.486 -0.877 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.344 -2.432 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.577 -0.931 2.274 1.00 0.00 H new ATOM 325 N PHE A 23 -9.593 0.600 0.678 1.00 0.00 N ATOM 326 CA PHE A 23 -8.886 1.870 0.685 1.00 0.00 C ATOM 327 C PHE A 23 -9.052 2.597 -0.651 1.00 0.00 C ATOM 328 O PHE A 23 -8.893 3.815 -0.723 1.00 0.00 O ATOM 329 CB PHE A 23 -7.405 1.555 0.900 1.00 0.00 C ATOM 330 CG PHE A 23 -6.454 2.573 0.266 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.444 3.860 0.705 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.619 2.189 -0.737 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.562 4.804 0.116 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.737 3.133 -1.326 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.727 4.421 -0.887 1.00 0.00 C ATOM 0 H PHE A 23 -9.044 -0.196 1.003 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.284 2.513 1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.206 1.505 1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.191 0.568 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.107 4.164 1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.627 1.167 -1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.554 5.826 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.074 2.829 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.056 5.139 -1.335 1.00 0.00 H new ATOM 345 N LEU A 24 -9.370 1.820 -1.676 1.00 0.00 N ATOM 346 CA LEU A 24 -9.559 2.375 -3.006 1.00 0.00 C ATOM 347 C LEU A 24 -11.041 2.689 -3.216 1.00 0.00 C ATOM 348 O LEU A 24 -11.384 3.641 -3.915 1.00 0.00 O ATOM 349 CB LEU A 24 -8.972 1.440 -4.065 1.00 0.00 C ATOM 350 CG LEU A 24 -7.494 1.080 -3.898 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.130 -0.149 -4.733 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.598 2.278 -4.221 1.00 0.00 C ATOM 0 H LEU A 24 -9.502 0.811 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.016 3.315 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.552 0.517 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.104 1.903 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.322 0.821 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.074 -0.383 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.734 -0.998 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.322 0.057 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.553 1.995 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.767 2.591 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.835 3.102 -3.548 1.00 0.00 H new ATOM 364 N GLN A 25 -11.880 1.871 -2.599 1.00 0.00 N ATOM 365 CA GLN A 25 -13.318 2.049 -2.710 1.00 0.00 C ATOM 366 C GLN A 25 -13.782 3.194 -1.808 1.00 0.00 C ATOM 367 O GLN A 25 -14.917 3.655 -1.918 1.00 0.00 O ATOM 368 CB GLN A 25 -14.059 0.753 -2.376 1.00 0.00 C ATOM 369 CG GLN A 25 -14.434 0.703 -0.893 1.00 0.00 C ATOM 370 CD GLN A 25 -15.193 -0.584 -0.563 1.00 0.00 C ATOM 371 OE1 GLN A 25 -16.264 -0.571 0.021 1.00 0.00 O ATOM 372 NE2 GLN A 25 -14.581 -1.693 -0.969 1.00 0.00 N ATOM 0 H GLN A 25 -11.592 1.082 -2.020 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.554 2.307 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.960 0.677 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.432 -0.103 -2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.532 0.764 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.049 1.567 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.685 -1.633 -1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.008 -2.603 -0.796 1.00 0.00 H new ATOM 381 N SER A 26 -12.880 3.621 -0.936 1.00 0.00 N ATOM 382 CA SER A 26 -13.182 4.703 -0.015 1.00 0.00 C ATOM 383 C SER A 26 -12.764 6.042 -0.626 1.00 0.00 C ATOM 384 O SER A 26 -11.825 6.101 -1.418 1.00 0.00 O ATOM 385 CB SER A 26 -12.485 4.493 1.331 1.00 0.00 C ATOM 386 OG SER A 26 -13.236 5.039 2.412 1.00 0.00 O ATOM 0 H SER A 26 -11.939 3.237 -0.848 1.00 0.00 H new ATOM 0 HA SER A 26 -14.258 4.711 0.162 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.332 3.427 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.499 4.956 1.305 1.00 0.00 H new ATOM 0 HG SER A 26 -13.006 4.569 3.241 1.00 0.00 H new ATOM 392 N GLU A 27 -13.481 7.085 -0.234 1.00 0.00 N ATOM 393 CA GLU A 27 -13.196 8.420 -0.733 1.00 0.00 C ATOM 394 C GLU A 27 -12.226 9.141 0.205 1.00 0.00 C ATOM 395 O GLU A 27 -11.089 9.424 -0.169 1.00 0.00 O ATOM 396 CB GLU A 27 -14.484 9.224 -0.915 1.00 0.00 C ATOM 397 CG GLU A 27 -14.653 9.668 -2.369 1.00 0.00 C ATOM 398 CD GLU A 27 -16.117 9.570 -2.806 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.961 10.161 -2.099 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.358 8.905 -3.837 1.00 0.00 O ATOM 0 H GLU A 27 -14.259 7.033 0.424 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.724 8.328 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.340 8.620 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.466 10.098 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.304 10.694 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.034 9.047 -3.017 1.00 0.00 H new ATOM 407 N GLU A 28 -12.712 9.419 1.406 1.00 0.00 N ATOM 408 CA GLU A 28 -11.903 10.102 2.401 1.00 0.00 C ATOM 409 C GLU A 28 -10.481 9.536 2.409 1.00 0.00 C ATOM 410 O GLU A 28 -9.510 10.286 2.325 1.00 0.00 O ATOM 411 CB GLU A 28 -12.540 10.004 3.788 1.00 0.00 C ATOM 412 CG GLU A 28 -12.686 11.388 4.424 1.00 0.00 C ATOM 413 CD GLU A 28 -12.847 11.279 5.942 1.00 0.00 C ATOM 414 OE1 GLU A 28 -13.501 10.306 6.376 1.00 0.00 O ATOM 415 OE2 GLU A 28 -12.311 12.172 6.634 1.00 0.00 O ATOM 0 H GLU A 28 -13.656 9.184 1.712 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.851 11.158 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.519 9.531 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.929 9.368 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.811 11.994 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.550 11.898 3.999 1.00 0.00 H new ATOM 422 N LYS A 29 -10.405 8.217 2.511 1.00 0.00 N ATOM 423 CA LYS A 29 -9.118 7.542 2.532 1.00 0.00 C ATOM 424 C LYS A 29 -8.190 8.191 1.503 1.00 0.00 C ATOM 425 O LYS A 29 -8.538 8.299 0.329 1.00 0.00 O ATOM 426 CB LYS A 29 -9.301 6.036 2.331 1.00 0.00 C ATOM 427 CG LYS A 29 -10.225 5.448 3.399 1.00 0.00 C ATOM 428 CD LYS A 29 -10.035 3.934 3.516 1.00 0.00 C ATOM 429 CE LYS A 29 -10.089 3.486 4.978 1.00 0.00 C ATOM 430 NZ LYS A 29 -8.804 3.772 5.655 1.00 0.00 N ATOM 0 H LYS A 29 -11.213 7.598 2.580 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.643 7.656 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.716 5.846 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.331 5.540 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.021 5.919 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.263 5.670 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.810 3.422 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.078 3.649 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.900 4.001 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.305 2.419 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.857 3.462 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.037 3.261 5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.614 4.794 5.622 1.00 0.00 H new ATOM 444 N ARG A 30 -7.027 8.606 1.983 1.00 0.00 N ATOM 445 CA ARG A 30 -6.046 9.242 1.120 1.00 0.00 C ATOM 446 C ARG A 30 -4.769 8.401 1.059 1.00 0.00 C ATOM 447 O ARG A 30 -4.117 8.332 0.018 1.00 0.00 O ATOM 448 CB ARG A 30 -5.700 10.646 1.620 1.00 0.00 C ATOM 449 CG ARG A 30 -5.060 11.482 0.510 1.00 0.00 C ATOM 450 CD ARG A 30 -5.974 12.638 0.098 1.00 0.00 C ATOM 451 NE ARG A 30 -5.345 13.930 0.452 1.00 0.00 N ATOM 452 CZ ARG A 30 -5.953 15.118 0.334 1.00 0.00 C ATOM 453 NH1 ARG A 30 -7.209 15.186 -0.129 1.00 0.00 N ATOM 454 NH2 ARG A 30 -5.305 16.240 0.678 1.00 0.00 N ATOM 0 H ARG A 30 -6.742 8.514 2.958 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.482 9.321 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.603 11.141 1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.017 10.576 2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.102 11.875 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.855 10.850 -0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.164 12.598 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.939 12.545 0.596 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.389 13.915 0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.703 14.333 -0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.671 16.091 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.349 16.189 1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.768 17.144 0.588 1.00 0.00 H new ATOM 468 N SER A 31 -4.450 7.784 2.187 1.00 0.00 N ATOM 469 CA SER A 31 -3.263 6.950 2.274 1.00 0.00 C ATOM 470 C SER A 31 -3.516 5.776 3.222 1.00 0.00 C ATOM 471 O SER A 31 -3.926 5.974 4.364 1.00 0.00 O ATOM 472 CB SER A 31 -2.054 7.761 2.744 1.00 0.00 C ATOM 473 OG SER A 31 -2.413 9.091 3.111 1.00 0.00 O ATOM 0 H SER A 31 -4.993 7.845 3.048 1.00 0.00 H new ATOM 0 HA SER A 31 -3.043 6.564 1.279 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.592 7.262 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.308 7.793 1.950 1.00 0.00 H new ATOM 0 HG SER A 31 -1.614 9.576 3.407 1.00 0.00 H new ATOM 479 N LEU A 32 -3.261 4.580 2.712 1.00 0.00 N ATOM 480 CA LEU A 32 -3.456 3.375 3.499 1.00 0.00 C ATOM 481 C LEU A 32 -2.141 3.001 4.186 1.00 0.00 C ATOM 482 O LEU A 32 -1.063 3.270 3.659 1.00 0.00 O ATOM 483 CB LEU A 32 -4.036 2.256 2.631 1.00 0.00 C ATOM 484 CG LEU A 32 -4.476 0.992 3.372 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.672 1.278 4.283 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.762 -0.147 2.391 1.00 0.00 C ATOM 0 H LEU A 32 -2.921 4.420 1.764 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.189 3.549 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.894 2.652 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.290 1.976 1.887 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.655 0.668 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.964 0.363 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.397 2.035 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.507 1.640 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.073 -1.034 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.557 0.152 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.860 -0.372 1.822 1.00 0.00 H new ATOM 498 N GLU A 33 -2.273 2.385 5.352 1.00 0.00 N ATOM 499 CA GLU A 33 -1.109 1.972 6.116 1.00 0.00 C ATOM 500 C GLU A 33 -1.196 0.481 6.452 1.00 0.00 C ATOM 501 O GLU A 33 -2.114 0.051 7.148 1.00 0.00 O ATOM 502 CB GLU A 33 -0.960 2.812 7.386 1.00 0.00 C ATOM 503 CG GLU A 33 -1.124 4.302 7.081 1.00 0.00 C ATOM 504 CD GLU A 33 -0.580 5.159 8.225 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.954 4.866 9.381 1.00 0.00 O ATOM 506 OE2 GLU A 33 0.197 6.089 7.918 1.00 0.00 O ATOM 0 H GLU A 33 -3.169 2.162 5.786 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.221 2.136 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.705 2.503 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.019 2.634 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.600 4.547 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.178 4.530 6.920 1.00 0.00 H new ATOM 513 N LEU A 34 -0.228 -0.265 5.941 1.00 0.00 N ATOM 514 CA LEU A 34 -0.184 -1.698 6.177 1.00 0.00 C ATOM 515 C LEU A 34 0.710 -1.984 7.385 1.00 0.00 C ATOM 516 O LEU A 34 1.297 -1.067 7.958 1.00 0.00 O ATOM 517 CB LEU A 34 0.242 -2.438 4.908 1.00 0.00 C ATOM 518 CG LEU A 34 -0.851 -2.659 3.861 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.247 -3.042 2.509 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.874 -3.689 4.344 1.00 0.00 C ATOM 0 H LEU A 34 0.532 0.096 5.364 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.178 -2.075 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.056 -1.882 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.644 -3.410 5.195 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.383 -1.718 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.046 -3.193 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.410 -2.243 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.326 -3.963 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.640 -3.827 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.373 -4.639 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.339 -3.336 5.265 1.00 0.00 H new ATOM 532 N ASP A 35 0.786 -3.259 7.736 1.00 0.00 N ATOM 533 CA ASP A 35 1.599 -3.677 8.866 1.00 0.00 C ATOM 534 C ASP A 35 3.050 -3.842 8.411 1.00 0.00 C ATOM 535 O ASP A 35 3.310 -4.116 7.240 1.00 0.00 O ATOM 536 CB ASP A 35 1.122 -5.021 9.421 1.00 0.00 C ATOM 537 CG ASP A 35 1.231 -6.198 8.449 1.00 0.00 C ATOM 538 OD1 ASP A 35 0.491 -6.172 7.441 1.00 0.00 O ATOM 539 OD2 ASP A 35 2.052 -7.096 8.735 1.00 0.00 O ATOM 0 H ASP A 35 0.298 -4.017 7.258 1.00 0.00 H new ATOM 0 HA ASP A 35 1.514 -2.916 9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.700 -5.253 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.082 -4.920 9.731 1.00 0.00 H new ATOM 544 N PRO A 36 3.982 -3.665 9.386 1.00 0.00 N ATOM 545 CA PRO A 36 5.400 -3.792 9.097 1.00 0.00 C ATOM 546 C PRO A 36 5.798 -5.260 8.936 1.00 0.00 C ATOM 547 O PRO A 36 5.653 -6.052 9.866 1.00 0.00 O ATOM 548 CB PRO A 36 6.101 -3.111 10.262 1.00 0.00 C ATOM 549 CG PRO A 36 5.075 -3.040 11.381 1.00 0.00 C ATOM 550 CD PRO A 36 3.711 -3.341 10.783 1.00 0.00 C ATOM 0 HA PRO A 36 5.680 -3.326 8.152 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.980 -3.676 10.573 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.444 -2.115 9.983 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.315 -3.758 12.165 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.080 -2.052 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.229 -4.173 11.296 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.043 -2.484 10.868 1.00 0.00 H new ATOM 558 N CYS A 37 6.292 -5.579 7.748 1.00 0.00 N ATOM 559 CA CYS A 37 6.712 -6.938 7.453 1.00 0.00 C ATOM 560 C CYS A 37 8.182 -7.084 7.852 1.00 0.00 C ATOM 561 O CYS A 37 8.843 -6.098 8.173 1.00 0.00 O ATOM 562 CB CYS A 37 6.481 -7.295 5.984 1.00 0.00 C ATOM 563 SG CYS A 37 4.698 -7.567 5.678 1.00 0.00 S ATOM 0 H CYS A 37 6.411 -4.919 6.979 1.00 0.00 H new ATOM 0 HA CYS A 37 6.109 -7.641 8.028 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.850 -6.493 5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.043 -8.193 5.727 1.00 0.00 H new ATOM 0 HG CYS A 37 4.486 -7.658 4.399 1.00 0.00 H new ATOM 569 N THR A 38 8.651 -8.323 7.819 1.00 0.00 N ATOM 570 CA THR A 38 10.031 -8.611 8.172 1.00 0.00 C ATOM 571 C THR A 38 10.972 -8.175 7.047 1.00 0.00 C ATOM 572 O THR A 38 11.936 -7.450 7.286 1.00 0.00 O ATOM 573 CB THR A 38 10.132 -10.100 8.506 1.00 0.00 C ATOM 574 OG1 THR A 38 9.964 -10.751 7.250 1.00 0.00 O ATOM 575 CG2 THR A 38 8.950 -10.595 9.343 1.00 0.00 C ATOM 0 H THR A 38 8.100 -9.139 7.553 1.00 0.00 H new ATOM 0 HA THR A 38 10.341 -8.044 9.050 1.00 0.00 H new ATOM 0 HB THR A 38 11.061 -10.288 9.044 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.018 -11.722 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.072 -11.658 9.552 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.913 -10.043 10.282 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.023 -10.437 8.792 1.00 0.00 H new ATOM 583 N GLY A 39 10.658 -8.636 5.845 1.00 0.00 N ATOM 584 CA GLY A 39 11.464 -8.302 4.683 1.00 0.00 C ATOM 585 C GLY A 39 10.954 -9.028 3.436 1.00 0.00 C ATOM 586 O GLY A 39 10.641 -8.395 2.429 1.00 0.00 O ATOM 0 H GLY A 39 9.857 -9.237 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.440 -7.225 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.504 -8.573 4.867 1.00 0.00 H new ATOM 590 N PHE A 40 10.887 -10.347 3.545 1.00 0.00 N ATOM 591 CA PHE A 40 10.421 -11.166 2.439 1.00 0.00 C ATOM 592 C PHE A 40 9.041 -10.708 1.961 1.00 0.00 C ATOM 593 O PHE A 40 8.886 -10.283 0.817 1.00 0.00 O ATOM 594 CB PHE A 40 10.317 -12.601 2.958 1.00 0.00 C ATOM 595 CG PHE A 40 10.195 -13.655 1.855 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.086 -13.669 0.827 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.197 -14.577 1.902 1.00 0.00 C ATOM 598 CE1 PHE A 40 10.973 -14.647 -0.197 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.084 -15.555 0.878 1.00 0.00 C ATOM 600 CZ PHE A 40 9.975 -15.569 -0.150 1.00 0.00 C ATOM 0 H PHE A 40 11.148 -10.869 4.382 1.00 0.00 H new ATOM 0 HA PHE A 40 11.112 -11.086 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.197 -12.823 3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.451 -12.677 3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.879 -12.937 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.490 -14.566 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.680 -14.658 -1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.291 -16.287 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.890 -16.312 -0.929 1.00 0.00 H new ATOM 610 N GLN A 41 8.074 -10.810 2.861 1.00 0.00 N ATOM 611 CA GLN A 41 6.713 -10.411 2.545 1.00 0.00 C ATOM 612 C GLN A 41 6.701 -9.019 1.911 1.00 0.00 C ATOM 613 O GLN A 41 6.065 -8.808 0.880 1.00 0.00 O ATOM 614 CB GLN A 41 5.827 -10.454 3.791 1.00 0.00 C ATOM 615 CG GLN A 41 5.723 -11.878 4.342 1.00 0.00 C ATOM 616 CD GLN A 41 5.139 -12.829 3.295 1.00 0.00 C ATOM 617 OE1 GLN A 41 5.705 -13.861 2.972 1.00 0.00 O ATOM 618 NE2 GLN A 41 3.980 -12.426 2.783 1.00 0.00 N ATOM 0 H GLN A 41 8.206 -11.163 3.809 1.00 0.00 H new ATOM 0 HA GLN A 41 6.305 -11.120 1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.236 -9.794 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.832 -10.081 3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.710 -12.227 4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.095 -11.882 5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.560 -11.551 3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.511 -12.992 2.076 1.00 0.00 H new ATOM 627 N ARG A 42 7.413 -8.105 2.554 1.00 0.00 N ATOM 628 CA ARG A 42 7.492 -6.738 2.066 1.00 0.00 C ATOM 629 C ARG A 42 7.776 -6.727 0.563 1.00 0.00 C ATOM 630 O ARG A 42 7.124 -6.005 -0.190 1.00 0.00 O ATOM 631 CB ARG A 42 8.590 -5.957 2.791 1.00 0.00 C ATOM 632 CG ARG A 42 8.816 -4.593 2.137 1.00 0.00 C ATOM 633 CD ARG A 42 9.323 -3.573 3.158 1.00 0.00 C ATOM 634 NE ARG A 42 10.744 -3.838 3.475 1.00 0.00 N ATOM 635 CZ ARG A 42 11.774 -3.367 2.759 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.548 -2.604 1.681 1.00 0.00 N ATOM 637 NH2 ARG A 42 13.031 -3.659 3.121 1.00 0.00 N ATOM 0 H ARG A 42 7.940 -8.284 3.409 1.00 0.00 H new ATOM 0 HA ARG A 42 6.532 -6.260 2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.315 -5.822 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.518 -6.529 2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.537 -4.690 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.885 -4.239 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.212 -2.564 2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.723 -3.626 4.066 1.00 0.00 H new ATOM 0 HE ARG A 42 10.952 -4.415 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.592 -2.381 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.332 -2.246 1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.204 -4.240 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.815 -3.300 2.576 1.00 0.00 H new ATOM 651 N LYS A 43 8.749 -7.536 0.171 1.00 0.00 N ATOM 652 CA LYS A 43 9.127 -7.629 -1.229 1.00 0.00 C ATOM 653 C LYS A 43 7.940 -8.152 -2.040 1.00 0.00 C ATOM 654 O LYS A 43 7.722 -7.726 -3.173 1.00 0.00 O ATOM 655 CB LYS A 43 10.397 -8.468 -1.387 1.00 0.00 C ATOM 656 CG LYS A 43 11.581 -7.809 -0.676 1.00 0.00 C ATOM 657 CD LYS A 43 12.877 -8.018 -1.461 1.00 0.00 C ATOM 658 CE LYS A 43 13.905 -6.937 -1.119 1.00 0.00 C ATOM 659 NZ LYS A 43 15.072 -7.027 -2.025 1.00 0.00 N ATOM 0 H LYS A 43 9.287 -8.133 0.799 1.00 0.00 H new ATOM 0 HA LYS A 43 9.373 -6.643 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.232 -9.465 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.626 -8.591 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.391 -6.742 -0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.687 -8.227 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.289 -9.001 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.666 -7.999 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.447 -5.951 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.230 -7.050 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.760 -6.287 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.518 -7.961 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.759 -6.896 -3.008 1.00 0.00 H new ATOM 673 N LEU A 44 7.204 -9.068 -1.428 1.00 0.00 N ATOM 674 CA LEU A 44 6.044 -9.654 -2.079 1.00 0.00 C ATOM 675 C LEU A 44 5.047 -8.547 -2.427 1.00 0.00 C ATOM 676 O LEU A 44 4.605 -8.442 -3.570 1.00 0.00 O ATOM 677 CB LEU A 44 5.450 -10.767 -1.214 1.00 0.00 C ATOM 678 CG LEU A 44 6.432 -11.833 -0.725 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.745 -12.820 0.221 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.104 -12.542 -1.903 1.00 0.00 C ATOM 0 H LEU A 44 7.388 -9.419 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 44 6.333 -10.130 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.977 -10.311 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.662 -11.261 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 44 7.218 -11.337 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.466 -13.567 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.354 -12.283 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.925 -13.314 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.797 -13.295 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.345 -13.023 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.650 -11.814 -2.503 1.00 0.00 H new ATOM 692 N ILE A 45 4.721 -7.749 -1.420 1.00 0.00 N ATOM 693 CA ILE A 45 3.785 -6.654 -1.606 1.00 0.00 C ATOM 694 C ILE A 45 4.222 -5.813 -2.807 1.00 0.00 C ATOM 695 O ILE A 45 3.428 -5.556 -3.711 1.00 0.00 O ATOM 696 CB ILE A 45 3.637 -5.851 -0.313 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.076 -6.722 0.813 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.793 -4.595 -0.541 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.108 -5.978 2.150 1.00 0.00 C ATOM 0 H ILE A 45 5.089 -7.840 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 45 2.790 -7.037 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 45 4.628 -5.521 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.052 -7.011 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.657 -7.641 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.703 -4.042 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.273 -3.965 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.801 -4.882 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.704 -6.619 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.137 -5.712 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.506 -5.072 2.077 1.00 0.00 H new ATOM 711 N TYR A 46 5.482 -5.407 -2.776 1.00 0.00 N ATOM 712 CA TYR A 46 6.035 -4.599 -3.851 1.00 0.00 C ATOM 713 C TYR A 46 6.042 -5.374 -5.170 1.00 0.00 C ATOM 714 O TYR A 46 5.842 -4.793 -6.236 1.00 0.00 O ATOM 715 CB TYR A 46 7.477 -4.289 -3.447 1.00 0.00 C ATOM 716 CG TYR A 46 7.607 -3.169 -2.414 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.165 -1.897 -2.716 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.167 -3.429 -1.180 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.287 -0.842 -1.744 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.289 -2.374 -0.207 1.00 0.00 C ATOM 721 CZ TYR A 46 7.843 -1.132 -0.537 1.00 0.00 C ATOM 722 OH TYR A 46 7.958 -0.136 0.381 1.00 0.00 O ATOM 0 H TYR A 46 6.137 -5.622 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 46 5.440 -3.698 -3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.934 -5.194 -3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.042 -4.015 -4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.727 -1.693 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.514 -4.424 -0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.945 0.157 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.725 -2.565 0.763 1.00 0.00 H new ATOM 0 HH TYR A 46 8.429 -0.473 1.172 1.00 0.00 H new ATOM 732 N GLN A 47 6.275 -6.673 -5.056 1.00 0.00 N ATOM 733 CA GLN A 47 6.311 -7.533 -6.226 1.00 0.00 C ATOM 734 C GLN A 47 4.923 -7.623 -6.862 1.00 0.00 C ATOM 735 O GLN A 47 4.796 -7.641 -8.086 1.00 0.00 O ATOM 736 CB GLN A 47 6.841 -8.923 -5.869 1.00 0.00 C ATOM 737 CG GLN A 47 8.198 -9.179 -6.528 1.00 0.00 C ATOM 738 CD GLN A 47 8.025 -9.765 -7.931 1.00 0.00 C ATOM 739 OE1 GLN A 47 8.138 -10.960 -8.150 1.00 0.00 O ATOM 740 NE2 GLN A 47 7.745 -8.861 -8.865 1.00 0.00 N ATOM 0 H GLN A 47 6.441 -7.151 -4.170 1.00 0.00 H new ATOM 0 HA GLN A 47 6.995 -7.095 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.936 -9.013 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.128 -9.682 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.760 -8.247 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.781 -9.864 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.664 -7.876 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.611 -9.153 -9.833 1.00 0.00 H new ATOM 749 N THR A 48 3.915 -7.676 -6.003 1.00 0.00 N ATOM 750 CA THR A 48 2.541 -7.763 -6.466 1.00 0.00 C ATOM 751 C THR A 48 2.060 -6.401 -6.968 1.00 0.00 C ATOM 752 O THR A 48 1.788 -6.234 -8.156 1.00 0.00 O ATOM 753 CB THR A 48 1.692 -8.323 -5.323 1.00 0.00 C ATOM 754 OG1 THR A 48 1.984 -9.718 -5.325 1.00 0.00 O ATOM 755 CG2 THR A 48 0.192 -8.256 -5.619 1.00 0.00 C ATOM 0 H THR A 48 4.023 -7.660 -4.989 1.00 0.00 H new ATOM 0 HA THR A 48 2.453 -8.438 -7.317 1.00 0.00 H new ATOM 0 HB THR A 48 1.906 -7.770 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.193 -10.217 -5.618 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.364 -8.666 -4.776 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.102 -7.218 -5.777 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.028 -8.836 -6.515 1.00 0.00 H new ATOM 763 N LEU A 49 1.970 -5.461 -6.039 1.00 0.00 N ATOM 764 CA LEU A 49 1.527 -4.118 -6.373 1.00 0.00 C ATOM 765 C LEU A 49 2.309 -3.614 -7.587 1.00 0.00 C ATOM 766 O LEU A 49 1.844 -2.733 -8.308 1.00 0.00 O ATOM 767 CB LEU A 49 1.628 -3.201 -5.152 1.00 0.00 C ATOM 768 CG LEU A 49 0.917 -3.687 -3.887 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.148 -2.721 -2.723 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.571 -3.922 -4.151 1.00 0.00 C ATOM 0 H LEU A 49 2.196 -5.603 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 49 0.473 -4.123 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.683 -3.055 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.223 -2.225 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 49 1.348 -4.646 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.632 -3.090 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.216 -2.648 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.761 -1.736 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.053 -4.267 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.034 -2.991 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.688 -4.676 -4.929 1.00 0.00 H new ATOM 782 N SER A 50 3.485 -4.195 -7.776 1.00 0.00 N ATOM 783 CA SER A 50 4.337 -3.816 -8.890 1.00 0.00 C ATOM 784 C SER A 50 3.562 -3.932 -10.204 1.00 0.00 C ATOM 785 O SER A 50 3.679 -3.072 -11.076 1.00 0.00 O ATOM 786 CB SER A 50 5.597 -4.682 -8.939 1.00 0.00 C ATOM 787 OG SER A 50 5.900 -5.109 -10.264 1.00 0.00 O ATOM 0 H SER A 50 3.868 -4.926 -7.176 1.00 0.00 H new ATOM 0 HA SER A 50 4.646 -2.780 -8.748 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.440 -4.119 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.463 -5.554 -8.299 1.00 0.00 H new ATOM 0 HG SER A 50 6.712 -5.658 -10.253 1.00 0.00 H new ATOM 793 N TRP A 51 2.787 -5.003 -10.305 1.00 0.00 N ATOM 794 CA TRP A 51 1.993 -5.242 -11.498 1.00 0.00 C ATOM 795 C TRP A 51 0.520 -5.059 -11.130 1.00 0.00 C ATOM 796 O TRP A 51 -0.283 -4.633 -11.959 1.00 0.00 O ATOM 797 CB TRP A 51 2.295 -6.620 -12.090 1.00 0.00 C ATOM 798 CG TRP A 51 2.293 -7.753 -11.061 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.344 -8.297 -10.432 1.00 0.00 C ATOM 800 CD2 TRP A 51 1.138 -8.463 -10.566 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.952 -9.302 -9.570 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.568 -9.405 -9.654 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.224 -8.313 -10.877 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.700 -10.272 -8.980 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.080 -9.186 -10.195 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.663 -10.140 -9.274 1.00 0.00 C ATOM 0 H TRP A 51 2.693 -5.714 -9.580 1.00 0.00 H new ATOM 0 HA TRP A 51 2.247 -4.527 -12.280 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.558 -6.842 -12.862 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.269 -6.589 -12.579 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.368 -7.988 -10.581 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.565 -9.865 -8.980 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.582 -7.582 -11.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.062 -11.003 -8.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.138 -9.113 -10.399 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.387 -10.777 -8.787 1.00 0.00 H new ATOM 817 N LYS A 52 0.208 -5.391 -9.885 1.00 0.00 N ATOM 818 CA LYS A 52 -1.155 -5.268 -9.397 1.00 0.00 C ATOM 819 C LYS A 52 -1.607 -3.812 -9.520 1.00 0.00 C ATOM 820 O LYS A 52 -2.765 -3.542 -9.837 1.00 0.00 O ATOM 821 CB LYS A 52 -1.268 -5.830 -7.978 1.00 0.00 C ATOM 822 CG LYS A 52 -1.814 -7.259 -7.996 1.00 0.00 C ATOM 823 CD LYS A 52 -2.742 -7.507 -6.805 1.00 0.00 C ATOM 824 CE LYS A 52 -4.204 -7.559 -7.251 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.714 -8.947 -7.197 1.00 0.00 N ATOM 0 H LYS A 52 0.876 -5.745 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.834 -5.865 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.289 -5.817 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.923 -5.194 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.355 -7.433 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.987 -7.968 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.473 -8.445 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.611 -6.716 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.809 -6.918 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.295 -7.171 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.447 -9.076 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.933 -9.611 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.121 -9.131 -6.258 1.00 0.00 H new ATOM 839 N TYR A 53 -0.670 -2.911 -9.264 1.00 0.00 N ATOM 840 CA TYR A 53 -0.958 -1.489 -9.342 1.00 0.00 C ATOM 841 C TYR A 53 0.315 -0.686 -9.619 1.00 0.00 C ATOM 842 O TYR A 53 0.911 -0.125 -8.702 1.00 0.00 O ATOM 843 CB TYR A 53 -1.507 -1.094 -7.970 1.00 0.00 C ATOM 844 CG TYR A 53 -2.692 -1.942 -7.505 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.970 -1.629 -7.923 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.484 -3.020 -6.669 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.086 -2.428 -7.486 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.600 -3.819 -6.233 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.845 -3.483 -6.662 1.00 0.00 C ATOM 850 OH TYR A 53 -5.899 -4.238 -6.250 1.00 0.00 O ATOM 0 H TYR A 53 0.289 -3.138 -9.002 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.662 -1.284 -10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.707 -1.172 -7.234 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.812 -0.048 -8.000 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.133 -0.785 -8.577 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.484 -3.264 -6.342 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.091 -2.195 -7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.451 -4.666 -5.580 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.597 -4.228 -6.938 1.00 0.00 H new ATOM 860 N PRO A 54 0.703 -0.657 -10.923 1.00 0.00 N ATOM 861 CA PRO A 54 1.894 0.067 -11.333 1.00 0.00 C ATOM 862 C PRO A 54 1.643 1.577 -11.337 1.00 0.00 C ATOM 863 O PRO A 54 2.402 2.338 -10.739 1.00 0.00 O ATOM 864 CB PRO A 54 2.235 -0.482 -12.708 1.00 0.00 C ATOM 865 CG PRO A 54 0.968 -1.153 -13.214 1.00 0.00 C ATOM 866 CD PRO A 54 0.021 -1.310 -12.036 1.00 0.00 C ATOM 0 HA PRO A 54 2.728 -0.072 -10.646 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.550 0.316 -13.380 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.058 -1.194 -12.651 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.506 -0.553 -13.998 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.199 -2.125 -13.650 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.943 -0.844 -12.238 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.172 -2.361 -11.820 1.00 0.00 H new ATOM 874 N LYS A 55 0.576 1.965 -12.019 1.00 0.00 N ATOM 875 CA LYS A 55 0.215 3.370 -12.110 1.00 0.00 C ATOM 876 C LYS A 55 -1.208 3.562 -11.583 1.00 0.00 C ATOM 877 O LYS A 55 -2.171 3.127 -12.214 1.00 0.00 O ATOM 878 CB LYS A 55 0.417 3.884 -13.537 1.00 0.00 C ATOM 879 CG LYS A 55 -0.427 3.086 -14.532 1.00 0.00 C ATOM 880 CD LYS A 55 0.457 2.398 -15.574 1.00 0.00 C ATOM 881 CE LYS A 55 0.777 3.344 -16.733 1.00 0.00 C ATOM 882 NZ LYS A 55 1.752 2.722 -17.656 1.00 0.00 N ATOM 0 H LYS A 55 -0.051 1.331 -12.514 1.00 0.00 H new ATOM 0 HA LYS A 55 0.871 3.973 -11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.147 4.939 -13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.470 3.811 -13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.015 2.339 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.133 3.750 -15.031 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.383 2.064 -15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.047 1.509 -15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.138 3.590 -17.273 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.180 4.280 -16.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.958 3.378 -18.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.630 2.510 -17.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.354 1.841 -18.040 1.00 0.00 H new ATOM 896 N GLY A 56 -1.297 4.213 -10.433 1.00 0.00 N ATOM 897 CA GLY A 56 -2.586 4.467 -9.814 1.00 0.00 C ATOM 898 C GLY A 56 -2.428 4.780 -8.325 1.00 0.00 C ATOM 899 O GLY A 56 -3.162 5.602 -7.778 1.00 0.00 O ATOM 0 H GLY A 56 -0.496 4.573 -9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.075 5.302 -10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.231 3.598 -9.940 1.00 0.00 H new ATOM 903 N ILE A 57 -1.465 4.108 -7.711 1.00 0.00 N ATOM 904 CA ILE A 57 -1.201 4.304 -6.295 1.00 0.00 C ATOM 905 C ILE A 57 0.298 4.524 -6.086 1.00 0.00 C ATOM 906 O ILE A 57 1.100 4.246 -6.977 1.00 0.00 O ATOM 907 CB ILE A 57 -1.772 3.143 -5.478 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.456 1.799 -6.138 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.273 3.326 -5.241 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.046 1.654 -6.394 1.00 0.00 C ATOM 0 H ILE A 57 -0.858 3.427 -8.168 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.708 5.198 -5.933 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.289 3.143 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.800 0.986 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.999 1.715 -7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.654 2.488 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.445 4.254 -4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.790 3.367 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.244 0.690 -6.864 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.382 2.455 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.584 1.714 -5.448 1.00 0.00 H new ATOM 922 N HIS A 58 0.632 5.019 -4.904 1.00 0.00 N ATOM 923 CA HIS A 58 2.022 5.280 -4.567 1.00 0.00 C ATOM 924 C HIS A 58 2.371 4.578 -3.253 1.00 0.00 C ATOM 925 O HIS A 58 1.859 4.942 -2.195 1.00 0.00 O ATOM 926 CB HIS A 58 2.298 6.784 -4.527 1.00 0.00 C ATOM 927 CG HIS A 58 3.543 7.159 -3.759 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.646 7.743 -4.357 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.847 7.029 -2.436 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.566 7.949 -3.427 1.00 0.00 C ATOM 931 NE2 HIS A 58 5.069 7.506 -2.237 1.00 0.00 N ATOM 0 H HIS A 58 -0.035 5.247 -4.167 1.00 0.00 H new ATOM 0 HA HIS A 58 2.671 4.871 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.388 7.154 -5.548 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.442 7.289 -4.080 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.202 6.609 -1.678 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.539 8.390 -3.584 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.556 7.536 -1.341 1.00 0.00 H new ATOM 939 N VAL A 59 3.240 3.584 -3.363 1.00 0.00 N ATOM 940 CA VAL A 59 3.664 2.827 -2.197 1.00 0.00 C ATOM 941 C VAL A 59 4.936 3.454 -1.623 1.00 0.00 C ATOM 942 O VAL A 59 5.860 3.783 -2.365 1.00 0.00 O ATOM 943 CB VAL A 59 3.838 1.352 -2.565 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.079 0.501 -1.317 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.632 0.839 -3.355 1.00 0.00 C ATOM 0 H VAL A 59 3.662 3.285 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 59 2.902 2.866 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 59 4.717 1.266 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.199 -0.543 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.982 0.844 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.228 0.595 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.781 -0.212 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.730 0.945 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.525 1.418 -4.272 1.00 0.00 H new ATOM 955 N GLU A 60 4.943 3.600 -0.306 1.00 0.00 N ATOM 956 CA GLU A 60 6.087 4.182 0.376 1.00 0.00 C ATOM 957 C GLU A 60 6.293 3.508 1.735 1.00 0.00 C ATOM 958 O GLU A 60 5.328 3.131 2.397 1.00 0.00 O ATOM 959 CB GLU A 60 5.920 5.694 0.534 1.00 0.00 C ATOM 960 CG GLU A 60 4.570 6.035 1.167 1.00 0.00 C ATOM 961 CD GLU A 60 3.953 7.272 0.511 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.739 8.172 0.146 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.709 7.289 0.390 1.00 0.00 O ATOM 0 H GLU A 60 4.175 3.326 0.307 1.00 0.00 H new ATOM 0 HA GLU A 60 6.975 4.010 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.726 6.089 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.001 6.176 -0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.892 5.188 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.699 6.212 2.235 1.00 0.00 H new ATOM 970 N THR A 61 7.557 3.378 2.109 1.00 0.00 N ATOM 971 CA THR A 61 7.902 2.757 3.376 1.00 0.00 C ATOM 972 C THR A 61 8.261 3.824 4.413 1.00 0.00 C ATOM 973 O THR A 61 9.351 4.393 4.371 1.00 0.00 O ATOM 974 CB THR A 61 9.029 1.755 3.120 1.00 0.00 C ATOM 975 OG1 THR A 61 8.360 0.598 2.628 1.00 0.00 O ATOM 976 CG2 THR A 61 9.694 1.279 4.414 1.00 0.00 C ATOM 0 H THR A 61 8.355 3.692 1.557 1.00 0.00 H new ATOM 0 HA THR A 61 7.054 2.215 3.794 1.00 0.00 H new ATOM 0 HB THR A 61 9.779 2.210 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.872 0.826 1.809 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.487 0.570 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.118 2.134 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.951 0.794 5.048 1.00 0.00 H new ATOM 1127 N HIS A 70 7.363 0.527 7.868 1.00 0.00 N ATOM 1128 CA HIS A 70 6.084 -0.058 7.502 1.00 0.00 C ATOM 1129 C HIS A 70 5.675 0.433 6.112 1.00 0.00 C ATOM 1130 O HIS A 70 5.974 1.566 5.736 1.00 0.00 O ATOM 1131 CB HIS A 70 5.027 0.235 8.569 1.00 0.00 C ATOM 1132 CG HIS A 70 4.320 1.556 8.387 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.986 1.743 8.704 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.776 2.754 7.920 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.663 2.999 8.434 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.774 3.624 7.948 1.00 0.00 N ATOM 0 HA HIS A 70 6.177 -1.143 7.454 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.287 -0.565 8.562 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.502 0.221 9.550 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.358 1.034 9.082 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.782 2.960 7.584 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.691 3.449 8.574 1.00 0.00 H new ATOM 1144 N ILE A 71 4.997 -0.444 5.386 1.00 0.00 N ATOM 1145 CA ILE A 71 4.543 -0.114 4.045 1.00 0.00 C ATOM 1146 C ILE A 71 3.309 0.786 4.136 1.00 0.00 C ATOM 1147 O ILE A 71 2.430 0.559 4.967 1.00 0.00 O ATOM 1148 CB ILE A 71 4.317 -1.387 3.228 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.648 -1.988 2.769 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.372 -1.124 2.053 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.445 -3.388 2.187 1.00 0.00 C ATOM 0 H ILE A 71 4.751 -1.383 5.701 1.00 0.00 H new ATOM 0 HA ILE A 71 5.309 0.448 3.511 1.00 0.00 H new ATOM 0 HB ILE A 71 3.835 -2.124 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.104 -1.341 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.339 -2.037 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.228 -2.045 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.410 -0.776 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.803 -0.363 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.406 -3.792 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.011 -4.038 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.773 -3.332 1.331 1.00 0.00 H new ATOM 1163 N VAL A 72 3.281 1.788 3.270 1.00 0.00 N ATOM 1164 CA VAL A 72 2.169 2.723 3.242 1.00 0.00 C ATOM 1165 C VAL A 72 1.781 3.004 1.789 1.00 0.00 C ATOM 1166 O VAL A 72 2.648 3.191 0.937 1.00 0.00 O ATOM 1167 CB VAL A 72 2.530 3.989 4.021 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.735 5.192 3.510 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.319 3.789 5.523 1.00 0.00 C ATOM 0 H VAL A 72 4.011 1.973 2.582 1.00 0.00 H new ATOM 0 HA VAL A 72 1.296 2.294 3.734 1.00 0.00 H new ATOM 0 HB VAL A 72 3.588 4.193 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.010 6.079 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.959 5.355 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.669 5.001 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.583 4.704 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.273 3.548 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.950 2.972 5.873 1.00 0.00 H new ATOM 1179 N ILE A 73 0.478 3.026 1.552 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.035 3.281 0.217 1.00 0.00 C ATOM 1181 C ILE A 73 -0.673 4.671 0.178 1.00 0.00 C ATOM 1182 O ILE A 73 -1.138 5.173 1.200 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.979 2.158 -0.218 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.212 0.855 -0.448 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.790 2.570 -1.449 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.055 0.074 0.859 1.00 0.00 C ATOM 0 H ILE A 73 -0.238 2.871 2.262 1.00 0.00 H new ATOM 0 HA ILE A 73 0.777 3.282 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.688 1.976 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.738 0.243 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.771 1.076 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.453 1.754 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.383 3.454 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.112 2.795 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.494 -0.848 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.493 0.679 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.040 -0.166 1.260 1.00 0.00 H new ATOM 1198 N SER A 74 -0.675 5.253 -1.013 1.00 0.00 N ATOM 1199 CA SER A 74 -1.249 6.575 -1.198 1.00 0.00 C ATOM 1200 C SER A 74 -2.083 6.608 -2.480 1.00 0.00 C ATOM 1201 O SER A 74 -1.907 5.769 -3.362 1.00 0.00 O ATOM 1202 CB SER A 74 -0.158 7.647 -1.247 1.00 0.00 C ATOM 1203 OG SER A 74 -0.441 8.653 -2.216 1.00 0.00 O ATOM 0 H SER A 74 -0.288 4.833 -1.859 1.00 0.00 H new ATOM 0 HA SER A 74 -1.894 6.790 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.058 8.108 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.799 7.180 -1.478 1.00 0.00 H new ATOM 0 HG SER A 74 0.278 9.319 -2.215 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.974 7.587 -2.544 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.836 7.741 -3.703 1.00 0.00 C ATOM 1211 C LYS A 75 -3.102 8.548 -4.776 1.00 0.00 C ATOM 1212 O LYS A 75 -2.662 9.669 -4.521 1.00 0.00 O ATOM 1213 CB LYS A 75 -5.182 8.342 -3.294 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.248 7.253 -3.149 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.812 7.224 -1.727 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.825 6.090 -1.563 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.186 6.555 -1.913 1.00 0.00 N ATOM 0 H LYS A 75 -3.117 8.282 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.067 6.768 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.074 8.878 -2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.500 9.071 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.054 7.431 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.817 6.282 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.999 7.097 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.289 8.178 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.546 5.251 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.811 5.728 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.888 5.881 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.352 7.491 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.275 6.620 -2.947 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.993 7.948 -5.952 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.320 8.598 -7.064 1.00 0.00 C ATOM 1233 C VAL A 76 -3.282 8.697 -8.249 1.00 0.00 C ATOM 1234 O VAL A 76 -4.306 8.017 -8.280 1.00 0.00 O ATOM 1235 CB VAL A 76 -1.028 7.850 -7.403 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.331 8.480 -8.610 1.00 0.00 C ATOM 1237 CG2 VAL A 76 -0.092 7.798 -6.194 1.00 0.00 C ATOM 0 H VAL A 76 -3.359 7.019 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.031 9.614 -6.795 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.292 6.826 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.584 7.930 -8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.994 8.441 -9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.085 9.518 -8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.818 7.261 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.162 8.812 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.588 7.283 -5.371 1.00 0.00 H new