USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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 Single : A 5 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 8 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.9) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= -0.139 (180deg=-0.299) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= 0.403 (180deg=0.0314) USER MOD Single : A 26 THR OG1 : rot 32:sc= -1.69! USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.0489 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 36 MET CE :methyl -158:sc= 0 (180deg=-0.493) USER MOD Single : A 38 SER OG : rot -19:sc= 0.417 USER MOD Single : A 41 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.23) USER MOD Single : A 42 ASN : amide:sc= -0.553 K(o=-0.55,f=-1.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.76! C(o=-3.8!,f=-3.5!) USER MOD Single : A 60 ASN : amide:sc= -2.13! C(o=-2.1!,f=-2.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.668 USER MOD Single : B 51 SER OG : rot -57:sc= 0.575 USER MOD Single : B 53 GLN : amide:sc= -2.85! C(o=-2.8!,f=-4.7!) USER MOD Single : B 61 GLN : amide:sc=-0.00441 K(o=-0.0044,f=-1.6!) USER MOD Single : B 63 LYS NZ :NH3+ -147:sc= -0.232 (180deg=-1.32!) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -1.082 -17.008 -4.840 1.00 0.00 N ATOM 62 CA THR A 5 0.120 -17.655 -5.357 1.00 0.00 C ATOM 63 C THR A 5 1.372 -17.087 -4.682 1.00 0.00 C ATOM 64 O THR A 5 1.307 -16.082 -3.972 1.00 0.00 O ATOM 65 CB THR A 5 0.213 -17.453 -6.870 1.00 0.00 C ATOM 66 OG1 THR A 5 1.388 -18.084 -7.362 1.00 0.00 O ATOM 67 CG2 THR A 5 0.267 -15.961 -7.191 1.00 0.00 C ATOM 0 HA THR A 5 0.058 -18.721 -5.138 1.00 0.00 H new ATOM 0 HB THR A 5 -0.665 -17.892 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.446 -17.956 -8.332 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.333 -15.823 -8.270 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.635 -15.476 -6.818 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.141 -15.518 -6.714 1.00 0.00 H new ATOM 75 N GLU A 6 2.510 -17.731 -4.910 1.00 0.00 N ATOM 76 CA GLU A 6 3.767 -17.277 -4.319 1.00 0.00 C ATOM 77 C GLU A 6 3.991 -15.799 -4.628 1.00 0.00 C ATOM 78 O GLU A 6 4.199 -14.989 -3.731 1.00 0.00 O ATOM 79 CB GLU A 6 4.928 -18.114 -4.875 1.00 0.00 C ATOM 80 CG GLU A 6 6.226 -17.775 -4.133 1.00 0.00 C ATOM 81 CD GLU A 6 7.377 -18.626 -4.667 1.00 0.00 C ATOM 82 OE1 GLU A 6 7.884 -18.304 -5.730 1.00 0.00 O ATOM 83 OE2 GLU A 6 7.740 -19.585 -4.003 1.00 0.00 O ATOM 0 H GLU A 6 2.591 -18.563 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 6 3.719 -17.403 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.705 -19.176 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.048 -17.920 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.458 -16.717 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.099 -17.951 -3.065 1.00 0.00 H new ATOM 90 N GLU A 7 3.964 -15.453 -5.902 1.00 0.00 N ATOM 91 CA GLU A 7 4.165 -14.072 -6.301 1.00 0.00 C ATOM 92 C GLU A 7 3.356 -13.133 -5.406 1.00 0.00 C ATOM 93 O GLU A 7 3.905 -12.227 -4.788 1.00 0.00 O ATOM 94 CB GLU A 7 3.722 -13.922 -7.763 1.00 0.00 C ATOM 95 CG GLU A 7 3.766 -12.454 -8.182 1.00 0.00 C ATOM 96 CD GLU A 7 3.438 -12.312 -9.670 1.00 0.00 C ATOM 97 OE1 GLU A 7 2.993 -13.284 -10.259 1.00 0.00 O ATOM 98 OE2 GLU A 7 3.625 -11.227 -10.197 1.00 0.00 O ATOM 0 H GLU A 7 3.806 -16.103 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 7 5.218 -13.808 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.372 -14.511 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.712 -14.312 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.054 -11.879 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.755 -12.041 -7.980 1.00 0.00 H new ATOM 105 N GLN A 8 2.049 -13.327 -5.383 1.00 0.00 N ATOM 106 CA GLN A 8 1.149 -12.462 -4.618 1.00 0.00 C ATOM 107 C GLN A 8 1.659 -12.189 -3.202 1.00 0.00 C ATOM 108 O GLN A 8 1.837 -11.033 -2.823 1.00 0.00 O ATOM 109 CB GLN A 8 -0.228 -13.127 -4.535 1.00 0.00 C ATOM 110 CG GLN A 8 -1.322 -12.073 -4.298 1.00 0.00 C ATOM 111 CD GLN A 8 -1.511 -11.217 -5.541 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.496 -11.733 -6.659 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.700 -9.931 -5.412 1.00 0.00 N ATOM 0 H GLN A 8 1.579 -14.079 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 8 1.094 -11.504 -5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.432 -13.670 -5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.237 -13.858 -3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.260 -12.565 -4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.051 -11.442 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.712 -9.508 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.836 -9.350 -6.239 1.00 0.00 H new ATOM 122 N ILE A 9 1.860 -13.235 -2.404 1.00 0.00 N ATOM 123 CA ILE A 9 2.306 -13.020 -1.039 1.00 0.00 C ATOM 124 C ILE A 9 3.618 -12.234 -1.012 1.00 0.00 C ATOM 125 O ILE A 9 3.741 -11.237 -0.296 1.00 0.00 O ATOM 126 CB ILE A 9 2.463 -14.364 -0.315 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.217 -15.347 -1.205 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.086 -14.950 -0.003 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.366 -16.682 -0.493 1.00 0.00 C ATOM 0 H ILE A 9 1.725 -14.210 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 9 1.551 -12.431 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 9 3.016 -14.199 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.682 -15.484 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.200 -14.946 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.204 -15.904 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.533 -14.260 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.537 -15.104 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.905 -17.379 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.920 -16.540 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.379 -17.086 -0.268 1.00 0.00 H new ATOM 141 N ALA A 10 4.591 -12.669 -1.797 1.00 0.00 N ATOM 142 CA ALA A 10 5.870 -11.989 -1.842 1.00 0.00 C ATOM 143 C ALA A 10 5.673 -10.540 -2.286 1.00 0.00 C ATOM 144 O ALA A 10 6.324 -9.627 -1.780 1.00 0.00 O ATOM 145 CB ALA A 10 6.793 -12.713 -2.827 1.00 0.00 C ATOM 0 H ALA A 10 4.518 -13.484 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 10 6.320 -11.996 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.756 -12.204 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.938 -13.743 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.342 -12.708 -3.819 1.00 0.00 H new ATOM 151 N GLU A 11 4.762 -10.353 -3.236 1.00 0.00 N ATOM 152 CA GLU A 11 4.463 -9.027 -3.770 1.00 0.00 C ATOM 153 C GLU A 11 4.019 -8.084 -2.654 1.00 0.00 C ATOM 154 O GLU A 11 4.482 -6.945 -2.580 1.00 0.00 O ATOM 155 CB GLU A 11 3.352 -9.134 -4.824 1.00 0.00 C ATOM 156 CG GLU A 11 3.219 -7.805 -5.567 1.00 0.00 C ATOM 157 CD GLU A 11 2.159 -7.920 -6.662 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.440 -8.905 -6.660 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.080 -7.021 -7.483 1.00 0.00 O ATOM 0 H GLU A 11 4.215 -11.106 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 11 5.367 -8.625 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.581 -9.934 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.407 -9.391 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.947 -7.014 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.177 -7.527 -6.005 1.00 0.00 H new ATOM 166 N PHE A 12 3.130 -8.556 -1.783 1.00 0.00 N ATOM 167 CA PHE A 12 2.655 -7.734 -0.686 1.00 0.00 C ATOM 168 C PHE A 12 3.810 -7.388 0.253 1.00 0.00 C ATOM 169 O PHE A 12 3.943 -6.248 0.685 1.00 0.00 O ATOM 170 CB PHE A 12 1.505 -8.480 0.046 1.00 0.00 C ATOM 171 CG PHE A 12 1.841 -8.724 1.503 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.914 -7.648 2.395 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.082 -10.024 1.959 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.226 -7.870 3.736 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.395 -10.246 3.301 1.00 0.00 C ATOM 176 CZ PHE A 12 2.467 -9.169 4.190 1.00 0.00 C ATOM 0 H PHE A 12 2.731 -9.494 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 12 2.261 -6.791 -1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.588 -7.895 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.314 -9.432 -0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.728 -6.644 2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.026 -10.856 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.281 -7.038 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.582 -11.250 3.653 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.709 -9.342 5.228 1.00 0.00 H new ATOM 186 N LYS A 13 4.633 -8.384 0.562 1.00 0.00 N ATOM 187 CA LYS A 13 5.761 -8.173 1.458 1.00 0.00 C ATOM 188 C LYS A 13 6.657 -7.060 0.928 1.00 0.00 C ATOM 189 O LYS A 13 7.079 -6.181 1.679 1.00 0.00 O ATOM 190 CB LYS A 13 6.574 -9.470 1.587 1.00 0.00 C ATOM 191 CG LYS A 13 7.703 -9.308 2.628 1.00 0.00 C ATOM 192 CD LYS A 13 7.168 -9.555 4.049 1.00 0.00 C ATOM 193 CE LYS A 13 7.210 -11.048 4.381 1.00 0.00 C ATOM 194 NZ LYS A 13 6.799 -11.236 5.795 1.00 0.00 N ATOM 0 H LYS A 13 4.541 -9.336 0.209 1.00 0.00 H new ATOM 0 HA LYS A 13 5.380 -7.885 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.917 -10.289 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.000 -9.735 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.509 -10.008 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.125 -8.305 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.765 -8.998 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.145 -9.187 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.544 -11.601 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.215 -11.441 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.984 -12.218 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.341 -10.589 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.784 -11.033 5.891 1.00 0.00 H new ATOM 208 N GLU A 14 6.939 -7.105 -0.365 1.00 0.00 N ATOM 209 CA GLU A 14 7.781 -6.093 -0.981 1.00 0.00 C ATOM 210 C GLU A 14 7.157 -4.711 -0.803 1.00 0.00 C ATOM 211 O GLU A 14 7.786 -3.796 -0.269 1.00 0.00 O ATOM 212 CB GLU A 14 7.936 -6.397 -2.474 1.00 0.00 C ATOM 213 CG GLU A 14 8.771 -7.672 -2.663 1.00 0.00 C ATOM 214 CD GLU A 14 8.830 -8.060 -4.139 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.276 -7.335 -4.948 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.432 -9.079 -4.441 1.00 0.00 O ATOM 0 H GLU A 14 6.600 -7.825 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 14 8.760 -6.105 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.955 -6.523 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.418 -5.558 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.780 -7.513 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.337 -8.487 -2.084 1.00 0.00 H new ATOM 223 N ALA A 15 5.909 -4.570 -1.242 1.00 0.00 N ATOM 224 CA ALA A 15 5.206 -3.299 -1.124 1.00 0.00 C ATOM 225 C ALA A 15 5.127 -2.875 0.340 1.00 0.00 C ATOM 226 O ALA A 15 5.320 -1.701 0.674 1.00 0.00 O ATOM 227 CB ALA A 15 3.799 -3.432 -1.731 1.00 0.00 C ATOM 0 H ALA A 15 5.368 -5.316 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 15 5.753 -2.530 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.273 -2.481 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.881 -3.705 -2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.244 -4.204 -1.198 1.00 0.00 H new ATOM 233 N PHE A 16 4.865 -3.835 1.214 1.00 0.00 N ATOM 234 CA PHE A 16 4.785 -3.548 2.636 1.00 0.00 C ATOM 235 C PHE A 16 6.100 -2.955 3.146 1.00 0.00 C ATOM 236 O PHE A 16 6.106 -1.913 3.805 1.00 0.00 O ATOM 237 CB PHE A 16 4.442 -4.854 3.399 1.00 0.00 C ATOM 238 CG PHE A 16 5.198 -4.945 4.711 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.891 -4.082 5.767 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.235 -5.880 4.846 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.618 -4.159 6.959 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.962 -5.950 6.033 1.00 0.00 C ATOM 243 CZ PHE A 16 6.656 -5.092 7.088 1.00 0.00 C ATOM 0 H PHE A 16 4.706 -4.811 0.966 1.00 0.00 H new ATOM 0 HA PHE A 16 4.001 -2.811 2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.370 -4.893 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.686 -5.715 2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.096 -3.359 5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.470 -6.546 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.380 -3.499 7.780 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.762 -6.668 6.135 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.220 -5.146 8.007 1.00 0.00 H new ATOM 253 N SER A 17 7.197 -3.633 2.852 1.00 0.00 N ATOM 254 CA SER A 17 8.507 -3.184 3.300 1.00 0.00 C ATOM 255 C SER A 17 8.793 -1.763 2.827 1.00 0.00 C ATOM 256 O SER A 17 9.435 -0.982 3.531 1.00 0.00 O ATOM 257 CB SER A 17 9.592 -4.131 2.782 1.00 0.00 C ATOM 258 OG SER A 17 10.859 -3.700 3.265 1.00 0.00 O ATOM 0 H SER A 17 7.208 -4.495 2.306 1.00 0.00 H new ATOM 0 HA SER A 17 8.511 -3.189 4.390 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.391 -5.150 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.590 -4.144 1.692 1.00 0.00 H new ATOM 0 HG SER A 17 11.557 -4.305 2.937 1.00 0.00 H new ATOM 264 N LEU A 18 8.325 -1.435 1.630 1.00 0.00 N ATOM 265 CA LEU A 18 8.554 -0.097 1.079 1.00 0.00 C ATOM 266 C LEU A 18 7.830 0.975 1.884 1.00 0.00 C ATOM 267 O LEU A 18 8.384 2.041 2.158 1.00 0.00 O ATOM 268 CB LEU A 18 8.076 -0.038 -0.375 1.00 0.00 C ATOM 269 CG LEU A 18 8.981 -0.909 -1.265 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.388 -0.988 -2.680 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.411 -0.323 -1.330 1.00 0.00 C ATOM 0 H LEU A 18 7.793 -2.062 1.027 1.00 0.00 H new ATOM 0 HA LEU A 18 9.625 0.097 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.045 -0.385 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.089 0.993 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 18 9.036 -1.909 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.029 -1.605 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.393 -1.430 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.321 0.014 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.034 -0.954 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.373 0.684 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.835 -0.286 -0.327 1.00 0.00 H new ATOM 283 N PHE A 19 6.580 0.700 2.243 1.00 0.00 N ATOM 284 CA PHE A 19 5.786 1.666 2.996 1.00 0.00 C ATOM 285 C PHE A 19 6.281 1.810 4.431 1.00 0.00 C ATOM 286 O PHE A 19 6.485 2.919 4.905 1.00 0.00 O ATOM 287 CB PHE A 19 4.323 1.244 3.005 1.00 0.00 C ATOM 288 CG PHE A 19 3.794 1.186 1.589 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.776 2.336 0.790 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.326 -0.027 1.071 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.290 2.271 -0.522 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.846 -0.093 -0.232 1.00 0.00 C ATOM 293 CZ PHE A 19 2.826 1.054 -1.034 1.00 0.00 C ATOM 0 H PHE A 19 6.099 -0.173 2.028 1.00 0.00 H new ATOM 0 HA PHE A 19 5.892 2.632 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.220 0.269 3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.736 1.949 3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.137 3.274 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.338 -0.915 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.273 3.158 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.487 -1.032 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.453 1.000 -2.046 1.00 0.00 H new ATOM 303 N ASP A 20 6.458 0.694 5.126 1.00 0.00 N ATOM 304 CA ASP A 20 6.922 0.749 6.511 1.00 0.00 C ATOM 305 C ASP A 20 8.295 1.415 6.598 1.00 0.00 C ATOM 306 O ASP A 20 9.311 0.739 6.766 1.00 0.00 O ATOM 307 CB ASP A 20 7.005 -0.667 7.085 1.00 0.00 C ATOM 308 CG ASP A 20 7.132 -0.609 8.603 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.584 0.406 9.103 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.776 -1.583 9.245 1.00 0.00 O ATOM 0 H ASP A 20 6.292 -0.245 4.765 1.00 0.00 H new ATOM 0 HA ASP A 20 6.211 1.340 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.116 -1.233 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.861 -1.191 6.660 1.00 0.00 H new ATOM 315 N LYS A 21 8.319 2.742 6.482 1.00 0.00 N ATOM 316 CA LYS A 21 9.586 3.470 6.547 1.00 0.00 C ATOM 317 C LYS A 21 10.253 3.252 7.898 1.00 0.00 C ATOM 318 O LYS A 21 11.430 2.895 7.969 1.00 0.00 O ATOM 319 CB LYS A 21 9.360 4.975 6.326 1.00 0.00 C ATOM 320 CG LYS A 21 8.331 5.220 5.214 1.00 0.00 C ATOM 321 CD LYS A 21 8.694 4.450 3.931 1.00 0.00 C ATOM 322 CE LYS A 21 10.061 4.909 3.413 1.00 0.00 C ATOM 323 NZ LYS A 21 10.225 4.475 1.998 1.00 0.00 N ATOM 0 H LYS A 21 7.494 3.326 6.345 1.00 0.00 H new ATOM 0 HA LYS A 21 10.235 3.089 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.016 5.434 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.304 5.453 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.343 4.913 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.276 6.287 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.713 3.379 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.933 4.617 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.144 5.994 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.856 4.488 4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.228 4.277 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.665 3.615 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.896 5.230 1.363 1.00 0.00 H new ATOM 337 N ASP A 22 9.507 3.483 8.975 1.00 0.00 N ATOM 338 CA ASP A 22 10.061 3.328 10.306 1.00 0.00 C ATOM 339 C ASP A 22 10.519 1.887 10.500 1.00 0.00 C ATOM 340 O ASP A 22 11.319 1.591 11.387 1.00 0.00 O ATOM 341 CB ASP A 22 8.979 3.668 11.340 1.00 0.00 C ATOM 342 CG ASP A 22 8.193 4.898 10.893 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.807 5.837 10.415 1.00 0.00 O ATOM 344 OD2 ASP A 22 6.978 4.874 11.024 1.00 0.00 O ATOM 0 H ASP A 22 8.530 3.774 8.948 1.00 0.00 H new ATOM 0 HA ASP A 22 10.913 3.996 10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.304 2.821 11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.438 3.854 12.311 1.00 0.00 H new ATOM 349 N GLY A 23 10.015 0.998 9.646 1.00 0.00 N ATOM 350 CA GLY A 23 10.389 -0.407 9.703 1.00 0.00 C ATOM 351 C GLY A 23 10.023 -1.040 11.040 1.00 0.00 C ATOM 352 O GLY A 23 10.800 -1.818 11.596 1.00 0.00 O ATOM 0 H GLY A 23 9.348 1.229 8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.892 -0.948 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.462 -0.504 9.537 1.00 0.00 H new ATOM 356 N ASP A 24 8.837 -0.714 11.558 1.00 0.00 N ATOM 357 CA ASP A 24 8.393 -1.274 12.840 1.00 0.00 C ATOM 358 C ASP A 24 7.459 -2.465 12.626 1.00 0.00 C ATOM 359 O ASP A 24 7.018 -3.095 13.588 1.00 0.00 O ATOM 360 CB ASP A 24 7.692 -0.197 13.673 1.00 0.00 C ATOM 361 CG ASP A 24 6.325 0.136 13.088 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.060 -0.272 11.973 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.561 0.796 13.771 1.00 0.00 O ATOM 0 H ASP A 24 8.174 -0.075 11.119 1.00 0.00 H new ATOM 0 HA ASP A 24 9.273 -1.625 13.379 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.578 -0.542 14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.307 0.702 13.705 1.00 0.00 H new ATOM 368 N GLY A 25 7.166 -2.774 11.362 1.00 0.00 N ATOM 369 CA GLY A 25 6.283 -3.900 11.033 1.00 0.00 C ATOM 370 C GLY A 25 4.857 -3.421 10.785 1.00 0.00 C ATOM 371 O GLY A 25 3.932 -4.225 10.677 1.00 0.00 O ATOM 0 H GLY A 25 7.523 -2.266 10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.657 -4.414 10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.291 -4.623 11.848 1.00 0.00 H new ATOM 375 N THR A 26 4.687 -2.105 10.697 1.00 0.00 N ATOM 376 CA THR A 26 3.367 -1.520 10.459 1.00 0.00 C ATOM 377 C THR A 26 3.490 -0.323 9.531 1.00 0.00 C ATOM 378 O THR A 26 4.563 0.268 9.411 1.00 0.00 O ATOM 379 CB THR A 26 2.744 -1.074 11.787 1.00 0.00 C ATOM 380 OG1 THR A 26 3.738 -0.445 12.589 1.00 0.00 O ATOM 381 CG2 THR A 26 2.169 -2.289 12.521 1.00 0.00 C ATOM 0 H THR A 26 5.442 -1.424 10.786 1.00 0.00 H new ATOM 0 HA THR A 26 2.728 -2.272 9.996 1.00 0.00 H new ATOM 0 HB THR A 26 1.939 -0.365 11.592 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.382 0.015 12.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.727 -1.969 13.464 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.404 -2.759 11.903 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.966 -3.005 12.719 1.00 0.00 H new ATOM 389 N ILE A 27 2.376 0.051 8.893 1.00 0.00 N ATOM 390 CA ILE A 27 2.364 1.205 7.995 1.00 0.00 C ATOM 391 C ILE A 27 1.483 2.289 8.597 1.00 0.00 C ATOM 392 O ILE A 27 0.437 1.988 9.164 1.00 0.00 O ATOM 393 CB ILE A 27 1.844 0.812 6.614 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.827 -0.158 5.963 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.704 2.069 5.749 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.192 -0.754 4.701 1.00 0.00 C ATOM 0 H ILE A 27 1.479 -0.426 8.982 1.00 0.00 H new ATOM 0 HA ILE A 27 3.382 1.578 7.877 1.00 0.00 H new ATOM 0 HB ILE A 27 0.871 0.330 6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.752 0.360 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.088 -0.952 6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.333 1.792 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.003 2.758 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.676 2.552 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.892 -1.447 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.279 -1.286 4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.953 0.047 4.001 1.00 0.00 H new ATOM 408 N THR A 28 1.915 3.547 8.487 1.00 0.00 N ATOM 409 CA THR A 28 1.156 4.672 9.048 1.00 0.00 C ATOM 410 C THR A 28 0.851 5.719 7.981 1.00 0.00 C ATOM 411 O THR A 28 1.433 5.704 6.894 1.00 0.00 O ATOM 412 CB THR A 28 1.957 5.312 10.187 1.00 0.00 C ATOM 413 OG1 THR A 28 2.235 4.328 11.173 1.00 0.00 O ATOM 414 CG2 THR A 28 1.150 6.450 10.814 1.00 0.00 C ATOM 0 H THR A 28 2.781 3.814 8.018 1.00 0.00 H new ATOM 0 HA THR A 28 0.209 4.291 9.430 1.00 0.00 H new ATOM 0 HB THR A 28 2.891 5.712 9.793 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.945 3.734 10.851 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.725 6.901 11.623 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.936 7.204 10.057 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.213 6.057 11.210 1.00 0.00 H new ATOM 422 N THR A 29 -0.077 6.619 8.300 1.00 0.00 N ATOM 423 CA THR A 29 -0.475 7.667 7.369 1.00 0.00 C ATOM 424 C THR A 29 0.735 8.486 6.942 1.00 0.00 C ATOM 425 O THR A 29 0.898 8.807 5.765 1.00 0.00 O ATOM 426 CB THR A 29 -1.495 8.595 8.041 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.853 9.329 9.076 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.638 7.769 8.639 1.00 0.00 C ATOM 0 H THR A 29 -0.565 6.642 9.195 1.00 0.00 H new ATOM 0 HA THR A 29 -0.920 7.200 6.490 1.00 0.00 H new ATOM 0 HB THR A 29 -1.900 9.282 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.502 9.924 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.358 8.435 9.114 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.132 7.205 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.238 7.078 9.381 1.00 0.00 H new ATOM 436 N LYS A 30 1.576 8.823 7.911 1.00 0.00 N ATOM 437 CA LYS A 30 2.776 9.605 7.644 1.00 0.00 C ATOM 438 C LYS A 30 3.772 8.802 6.812 1.00 0.00 C ATOM 439 O LYS A 30 4.384 9.328 5.881 1.00 0.00 O ATOM 440 CB LYS A 30 3.416 10.040 8.961 1.00 0.00 C ATOM 441 CG LYS A 30 2.498 11.049 9.659 1.00 0.00 C ATOM 442 CD LYS A 30 3.172 11.579 10.932 1.00 0.00 C ATOM 443 CE LYS A 30 3.197 10.496 12.017 1.00 0.00 C ATOM 444 NZ LYS A 30 3.504 11.125 13.332 1.00 0.00 N ATOM 0 H LYS A 30 1.449 8.567 8.890 1.00 0.00 H new ATOM 0 HA LYS A 30 2.494 10.491 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.579 9.174 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.392 10.487 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.274 11.876 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.549 10.576 9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.189 11.899 10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.636 12.455 11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.235 9.986 12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.947 9.742 11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.522 10.393 14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.432 11.592 13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.773 11.829 13.559 1.00 0.00 H new ATOM 458 N GLU A 31 3.923 7.521 7.149 1.00 0.00 N ATOM 459 CA GLU A 31 4.840 6.652 6.417 1.00 0.00 C ATOM 460 C GLU A 31 4.446 6.614 4.942 1.00 0.00 C ATOM 461 O GLU A 31 5.219 7.018 4.068 1.00 0.00 O ATOM 462 CB GLU A 31 4.794 5.232 7.012 1.00 0.00 C ATOM 463 CG GLU A 31 5.586 5.189 8.324 1.00 0.00 C ATOM 464 CD GLU A 31 5.453 3.816 8.978 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.339 3.341 9.090 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.469 3.266 9.366 1.00 0.00 O ATOM 0 H GLU A 31 3.427 7.067 7.916 1.00 0.00 H new ATOM 0 HA GLU A 31 5.854 7.041 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.760 4.937 7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.211 4.517 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.636 5.407 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.221 5.960 9.003 1.00 0.00 H new ATOM 473 N LEU A 32 3.233 6.146 4.676 1.00 0.00 N ATOM 474 CA LEU A 32 2.736 6.076 3.308 1.00 0.00 C ATOM 475 C LEU A 32 2.657 7.464 2.688 1.00 0.00 C ATOM 476 O LEU A 32 3.117 7.678 1.567 1.00 0.00 O ATOM 477 CB LEU A 32 1.352 5.421 3.315 1.00 0.00 C ATOM 478 CG LEU A 32 0.658 5.523 1.947 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.440 4.718 0.917 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.756 4.953 2.059 1.00 0.00 C ATOM 0 H LEU A 32 2.579 5.811 5.384 1.00 0.00 H new ATOM 0 HA LEU A 32 3.424 5.480 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.449 4.372 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.730 5.897 4.073 1.00 0.00 H new ATOM 0 HG LEU A 32 0.615 6.567 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.947 4.791 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.453 5.113 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.480 3.673 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.254 5.022 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.704 3.909 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.320 5.521 2.799 1.00 0.00 H new ATOM 492 N GLY A 33 2.066 8.400 3.422 1.00 0.00 N ATOM 493 CA GLY A 33 1.922 9.761 2.923 1.00 0.00 C ATOM 494 C GLY A 33 3.244 10.252 2.353 1.00 0.00 C ATOM 495 O GLY A 33 3.283 10.853 1.280 1.00 0.00 O ATOM 0 H GLY A 33 1.683 8.244 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.151 9.795 2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.598 10.420 3.729 1.00 0.00 H new ATOM 499 N THR A 34 4.326 9.989 3.078 1.00 0.00 N ATOM 500 CA THR A 34 5.644 10.408 2.628 1.00 0.00 C ATOM 501 C THR A 34 5.958 9.760 1.287 1.00 0.00 C ATOM 502 O THR A 34 6.386 10.435 0.349 1.00 0.00 O ATOM 503 CB THR A 34 6.702 10.006 3.659 1.00 0.00 C ATOM 504 OG1 THR A 34 6.430 10.659 4.890 1.00 0.00 O ATOM 505 CG2 THR A 34 8.095 10.411 3.166 1.00 0.00 C ATOM 0 H THR A 34 4.316 9.493 3.969 1.00 0.00 H new ATOM 0 HA THR A 34 5.654 11.492 2.515 1.00 0.00 H new ATOM 0 HB THR A 34 6.673 8.925 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.832 10.102 5.431 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.841 10.121 3.906 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.307 9.910 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.130 11.491 3.020 1.00 0.00 H new ATOM 513 N VAL A 35 5.732 8.446 1.185 1.00 0.00 N ATOM 514 CA VAL A 35 5.987 7.730 -0.055 1.00 0.00 C ATOM 515 C VAL A 35 5.123 8.286 -1.184 1.00 0.00 C ATOM 516 O VAL A 35 5.588 8.447 -2.309 1.00 0.00 O ATOM 517 CB VAL A 35 5.666 6.239 0.135 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.930 5.478 -1.168 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.543 5.657 1.245 1.00 0.00 C ATOM 0 H VAL A 35 5.375 7.866 1.944 1.00 0.00 H new ATOM 0 HA VAL A 35 7.038 7.856 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 35 4.616 6.137 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.700 4.422 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.300 5.883 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.978 5.587 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.311 4.600 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.593 5.768 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.350 6.188 2.177 1.00 0.00 H new ATOM 529 N MET A 36 3.870 8.595 -0.873 1.00 0.00 N ATOM 530 CA MET A 36 2.967 9.143 -1.885 1.00 0.00 C ATOM 531 C MET A 36 3.423 10.531 -2.344 1.00 0.00 C ATOM 532 O MET A 36 3.412 10.838 -3.537 1.00 0.00 O ATOM 533 CB MET A 36 1.544 9.217 -1.333 1.00 0.00 C ATOM 534 CG MET A 36 1.053 7.801 -1.033 1.00 0.00 C ATOM 535 SD MET A 36 -0.665 7.859 -0.465 1.00 0.00 S ATOM 536 CE MET A 36 -1.446 7.647 -2.086 1.00 0.00 C ATOM 0 H MET A 36 3.459 8.479 0.053 1.00 0.00 H new ATOM 0 HA MET A 36 2.986 8.478 -2.748 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.523 9.823 -0.427 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.885 9.699 -2.055 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.130 7.182 -1.927 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.683 7.341 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.466 8.031 -2.052 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.877 8.194 -2.838 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.466 6.588 -2.345 1.00 0.00 H new ATOM 546 N ARG A 37 3.824 11.364 -1.393 1.00 0.00 N ATOM 547 CA ARG A 37 4.276 12.711 -1.727 1.00 0.00 C ATOM 548 C ARG A 37 5.599 12.662 -2.492 1.00 0.00 C ATOM 549 O ARG A 37 5.739 13.275 -3.550 1.00 0.00 O ATOM 550 CB ARG A 37 4.432 13.550 -0.450 1.00 0.00 C ATOM 551 CG ARG A 37 4.928 14.963 -0.794 1.00 0.00 C ATOM 552 CD ARG A 37 3.920 15.673 -1.704 1.00 0.00 C ATOM 553 NE ARG A 37 4.049 17.109 -1.532 1.00 0.00 N ATOM 554 CZ ARG A 37 3.399 17.959 -2.320 1.00 0.00 C ATOM 555 NH1 ARG A 37 2.629 17.509 -3.278 1.00 0.00 N ATOM 556 NH2 ARG A 37 3.536 19.243 -2.135 1.00 0.00 N ATOM 0 H ARG A 37 3.846 11.138 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 37 3.526 13.177 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.477 13.610 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.136 13.066 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.071 15.538 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.897 14.905 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.098 15.402 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.906 15.355 -1.461 1.00 0.00 H new ATOM 0 HE ARG A 37 4.650 17.472 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.527 16.504 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.131 18.163 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.139 19.589 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.040 19.901 -2.736 1.00 0.00 H new ATOM 570 N SER A 38 6.569 11.939 -1.938 1.00 0.00 N ATOM 571 CA SER A 38 7.881 11.831 -2.564 1.00 0.00 C ATOM 572 C SER A 38 7.741 11.440 -4.030 1.00 0.00 C ATOM 573 O SER A 38 8.591 11.774 -4.857 1.00 0.00 O ATOM 574 CB SER A 38 8.719 10.777 -1.837 1.00 0.00 C ATOM 575 OG SER A 38 8.049 9.529 -1.899 1.00 0.00 O ATOM 0 H SER A 38 6.471 11.423 -1.063 1.00 0.00 H new ATOM 0 HA SER A 38 8.375 12.800 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.705 10.698 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.873 11.070 -0.799 1.00 0.00 H new ATOM 0 HG SER A 38 7.101 9.676 -2.101 1.00 0.00 H new ATOM 581 N LEU A 39 6.662 10.731 -4.345 1.00 0.00 N ATOM 582 CA LEU A 39 6.415 10.294 -5.718 1.00 0.00 C ATOM 583 C LEU A 39 5.813 11.419 -6.554 1.00 0.00 C ATOM 584 O LEU A 39 5.853 11.375 -7.783 1.00 0.00 O ATOM 585 CB LEU A 39 5.482 9.086 -5.706 1.00 0.00 C ATOM 586 CG LEU A 39 6.222 7.873 -5.112 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.202 6.810 -4.698 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.194 7.263 -6.148 1.00 0.00 C ATOM 0 H LEU A 39 5.948 10.447 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 39 7.366 10.016 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.591 9.306 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.147 8.861 -6.719 1.00 0.00 H new ATOM 0 HG LEU A 39 6.794 8.206 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.723 5.950 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.526 7.226 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.629 6.496 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.706 6.408 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.634 6.938 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.928 8.012 -6.443 1.00 0.00 H new ATOM 600 N GLY A 40 5.271 12.438 -5.885 1.00 0.00 N ATOM 601 CA GLY A 40 4.685 13.588 -6.581 1.00 0.00 C ATOM 602 C GLY A 40 3.163 13.504 -6.630 1.00 0.00 C ATOM 603 O GLY A 40 2.527 14.164 -7.451 1.00 0.00 O ATOM 0 H GLY A 40 5.225 12.492 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.982 14.508 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.079 13.638 -7.596 1.00 0.00 H new ATOM 607 N GLN A 41 2.583 12.694 -5.753 1.00 0.00 N ATOM 608 CA GLN A 41 1.131 12.540 -5.722 1.00 0.00 C ATOM 609 C GLN A 41 0.464 13.775 -5.102 1.00 0.00 C ATOM 610 O GLN A 41 0.851 14.229 -4.024 1.00 0.00 O ATOM 611 CB GLN A 41 0.761 11.290 -4.924 1.00 0.00 C ATOM 612 CG GLN A 41 1.357 10.044 -5.593 1.00 0.00 C ATOM 613 CD GLN A 41 0.771 9.844 -6.991 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.448 9.828 -7.159 1.00 0.00 O ATOM 615 NE2 GLN A 41 1.579 9.684 -8.010 1.00 0.00 N ATOM 0 H GLN A 41 3.087 12.139 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 41 0.772 12.435 -6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.132 11.377 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.323 11.196 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.440 10.145 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.155 9.165 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.589 9.698 -7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.198 9.546 -8.946 1.00 0.00 H new ATOM 624 N ASN A 42 -0.529 14.317 -5.809 1.00 0.00 N ATOM 625 CA ASN A 42 -1.243 15.512 -5.352 1.00 0.00 C ATOM 626 C ASN A 42 -1.733 15.355 -3.905 1.00 0.00 C ATOM 627 O ASN A 42 -1.988 14.239 -3.453 1.00 0.00 O ATOM 628 CB ASN A 42 -2.442 15.773 -6.275 1.00 0.00 C ATOM 629 CG ASN A 42 -3.112 14.454 -6.635 1.00 0.00 C ATOM 630 OD1 ASN A 42 -3.114 13.519 -5.834 1.00 0.00 O ATOM 631 ND2 ASN A 42 -3.680 14.321 -7.803 1.00 0.00 N ATOM 0 H ASN A 42 -0.858 13.948 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.553 16.355 -5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.156 16.431 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.112 16.283 -7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.128 13.440 -8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.676 15.098 -8.464 1.00 0.00 H new ATOM 638 N PRO A 43 -1.884 16.444 -3.177 1.00 0.00 N ATOM 639 CA PRO A 43 -2.368 16.400 -1.770 1.00 0.00 C ATOM 640 C PRO A 43 -3.495 15.383 -1.591 1.00 0.00 C ATOM 641 O PRO A 43 -4.657 15.674 -1.871 1.00 0.00 O ATOM 642 CB PRO A 43 -2.865 17.832 -1.511 1.00 0.00 C ATOM 643 CG PRO A 43 -2.076 18.711 -2.443 1.00 0.00 C ATOM 644 CD PRO A 43 -1.606 17.829 -3.611 1.00 0.00 C ATOM 0 HA PRO A 43 -1.591 16.088 -1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.934 17.916 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.705 18.120 -0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.690 19.535 -2.806 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.223 19.152 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.142 18.070 -4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.545 17.974 -3.814 1.00 0.00 H new ATOM 652 N THR A 44 -3.140 14.192 -1.116 1.00 0.00 N ATOM 653 CA THR A 44 -4.122 13.130 -0.897 1.00 0.00 C ATOM 654 C THR A 44 -3.847 12.420 0.426 1.00 0.00 C ATOM 655 O THR A 44 -4.588 11.523 0.826 1.00 0.00 O ATOM 656 CB THR A 44 -4.073 12.129 -2.055 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.019 11.096 -1.825 1.00 0.00 O ATOM 658 CG2 THR A 44 -2.671 11.523 -2.166 1.00 0.00 C ATOM 0 H THR A 44 -2.182 13.937 -0.875 1.00 0.00 H new ATOM 0 HA THR A 44 -5.117 13.572 -0.853 1.00 0.00 H new ATOM 0 HB THR A 44 -4.312 12.646 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.990 10.455 -2.566 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.646 10.812 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.945 12.316 -2.347 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.422 11.009 -1.238 1.00 0.00 H new ATOM 666 N GLU A 45 -2.787 12.845 1.107 1.00 0.00 N ATOM 667 CA GLU A 45 -2.425 12.254 2.394 1.00 0.00 C ATOM 668 C GLU A 45 -3.618 12.282 3.347 1.00 0.00 C ATOM 669 O GLU A 45 -3.697 11.491 4.289 1.00 0.00 O ATOM 670 CB GLU A 45 -1.244 13.029 2.997 1.00 0.00 C ATOM 671 CG GLU A 45 -1.649 14.486 3.242 1.00 0.00 C ATOM 672 CD GLU A 45 -0.464 15.278 3.794 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.543 14.663 4.104 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.579 16.489 3.890 1.00 0.00 O ATOM 0 H GLU A 45 -2.166 13.591 0.793 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.134 11.215 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.934 12.566 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.389 12.988 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.995 14.936 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.482 14.526 3.944 1.00 0.00 H new ATOM 681 N ALA A 46 -4.559 13.180 3.077 1.00 0.00 N ATOM 682 CA ALA A 46 -5.760 13.288 3.900 1.00 0.00 C ATOM 683 C ALA A 46 -6.707 12.126 3.607 1.00 0.00 C ATOM 684 O ALA A 46 -7.286 11.527 4.517 1.00 0.00 O ATOM 685 CB ALA A 46 -6.459 14.620 3.621 1.00 0.00 C ATOM 0 H ALA A 46 -4.515 13.840 2.300 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.475 13.248 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.355 14.697 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.784 15.442 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.737 14.671 2.568 1.00 0.00 H new ATOM 691 N GLU A 47 -6.855 11.819 2.324 1.00 0.00 N ATOM 692 CA GLU A 47 -7.728 10.735 1.894 1.00 0.00 C ATOM 693 C GLU A 47 -7.313 9.444 2.588 1.00 0.00 C ATOM 694 O GLU A 47 -8.147 8.719 3.125 1.00 0.00 O ATOM 695 CB GLU A 47 -7.623 10.574 0.370 1.00 0.00 C ATOM 696 CG GLU A 47 -8.593 9.498 -0.137 1.00 0.00 C ATOM 697 CD GLU A 47 -10.033 9.974 0.003 1.00 0.00 C ATOM 698 OE1 GLU A 47 -10.226 11.133 0.327 1.00 0.00 O ATOM 699 OE2 GLU A 47 -10.921 9.169 -0.223 1.00 0.00 O ATOM 0 H GLU A 47 -6.381 12.306 1.563 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.760 10.964 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.843 11.525 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.602 10.306 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.379 9.269 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.451 8.576 0.427 1.00 0.00 H new ATOM 706 N LEU A 48 -6.010 9.172 2.580 1.00 0.00 N ATOM 707 CA LEU A 48 -5.494 7.967 3.219 1.00 0.00 C ATOM 708 C LEU A 48 -5.809 7.989 4.711 1.00 0.00 C ATOM 709 O LEU A 48 -6.347 7.032 5.253 1.00 0.00 O ATOM 710 CB LEU A 48 -3.974 7.895 3.013 1.00 0.00 C ATOM 711 CG LEU A 48 -3.654 7.356 1.608 1.00 0.00 C ATOM 712 CD1 LEU A 48 -4.004 5.857 1.497 1.00 0.00 C ATOM 713 CD2 LEU A 48 -4.450 8.151 0.562 1.00 0.00 C ATOM 0 H LEU A 48 -5.301 9.762 2.144 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.967 7.093 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.535 8.885 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.527 7.249 3.769 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.585 7.472 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.768 5.502 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.424 5.293 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.067 5.716 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.224 7.770 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.517 8.044 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.175 9.204 0.619 1.00 0.00 H new ATOM 725 N GLN A 49 -5.467 9.091 5.369 1.00 0.00 N ATOM 726 CA GLN A 49 -5.717 9.211 6.804 1.00 0.00 C ATOM 727 C GLN A 49 -7.128 8.740 7.150 1.00 0.00 C ATOM 728 O GLN A 49 -7.336 8.019 8.131 1.00 0.00 O ATOM 729 CB GLN A 49 -5.548 10.674 7.227 1.00 0.00 C ATOM 730 CG GLN A 49 -4.063 11.017 7.334 1.00 0.00 C ATOM 731 CD GLN A 49 -3.884 12.526 7.480 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.868 13.265 7.541 1.00 0.00 O ATOM 733 NE2 GLN A 49 -2.680 13.029 7.536 1.00 0.00 N ATOM 0 H GLN A 49 -5.023 9.904 4.942 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.003 8.584 7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.030 11.329 6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.039 10.844 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.624 10.506 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.535 10.664 6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.868 12.414 7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.552 14.037 7.631 1.00 0.00 H new ATOM 742 N ASP A 50 -8.089 9.147 6.336 1.00 0.00 N ATOM 743 CA ASP A 50 -9.478 8.768 6.554 1.00 0.00 C ATOM 744 C ASP A 50 -9.708 7.292 6.226 1.00 0.00 C ATOM 745 O ASP A 50 -10.454 6.609 6.925 1.00 0.00 O ATOM 746 CB ASP A 50 -10.388 9.639 5.688 1.00 0.00 C ATOM 747 CG ASP A 50 -11.852 9.284 5.934 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.103 8.322 6.640 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.704 9.981 5.408 1.00 0.00 O ATOM 0 H ASP A 50 -7.934 9.739 5.520 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.714 8.921 7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.219 10.692 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.144 9.497 4.635 1.00 0.00 H new ATOM 754 N MET A 51 -9.073 6.809 5.158 1.00 0.00 N ATOM 755 CA MET A 51 -9.231 5.413 4.756 1.00 0.00 C ATOM 756 C MET A 51 -8.572 4.465 5.749 1.00 0.00 C ATOM 757 O MET A 51 -9.188 3.494 6.180 1.00 0.00 O ATOM 758 CB MET A 51 -8.617 5.204 3.371 1.00 0.00 C ATOM 759 CG MET A 51 -9.453 5.934 2.317 1.00 0.00 C ATOM 760 SD MET A 51 -11.065 5.126 2.157 1.00 0.00 S ATOM 761 CE MET A 51 -11.895 6.443 1.233 1.00 0.00 C ATOM 0 H MET A 51 -8.452 7.357 4.563 1.00 0.00 H new ATOM 0 HA MET A 51 -10.298 5.191 4.732 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.593 5.576 3.357 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.573 4.140 3.140 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.585 6.978 2.601 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.935 5.928 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.923 6.148 1.024 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.893 7.359 1.824 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.369 6.616 0.294 1.00 0.00 H new ATOM 771 N ILE A 52 -7.328 4.757 6.119 1.00 0.00 N ATOM 772 CA ILE A 52 -6.604 3.917 7.060 1.00 0.00 C ATOM 773 C ILE A 52 -7.392 3.819 8.365 1.00 0.00 C ATOM 774 O ILE A 52 -7.505 2.744 8.953 1.00 0.00 O ATOM 775 CB ILE A 52 -5.197 4.498 7.315 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.282 4.151 6.127 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.612 3.904 8.606 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.925 4.844 6.268 1.00 0.00 C ATOM 0 H ILE A 52 -6.805 5.565 5.782 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.489 2.917 6.641 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.267 5.581 7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.141 3.072 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.757 4.457 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.619 4.318 8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.260 4.151 9.447 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.541 2.821 8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.294 4.585 5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.069 5.924 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.444 4.517 7.190 1.00 0.00 H new ATOM 790 N ASN A 53 -7.937 4.945 8.802 1.00 0.00 N ATOM 791 CA ASN A 53 -8.714 4.977 10.032 1.00 0.00 C ATOM 792 C ASN A 53 -9.922 4.047 9.936 1.00 0.00 C ATOM 793 O ASN A 53 -10.522 3.693 10.953 1.00 0.00 O ATOM 794 CB ASN A 53 -9.190 6.405 10.299 1.00 0.00 C ATOM 795 CG ASN A 53 -8.003 7.303 10.641 1.00 0.00 C ATOM 796 OD1 ASN A 53 -8.039 8.505 10.380 1.00 0.00 O ATOM 797 ND2 ASN A 53 -6.946 6.788 11.215 1.00 0.00 N ATOM 0 H ASN A 53 -7.856 5.844 8.326 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.079 4.638 10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.708 6.793 9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.907 6.409 11.120 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.151 7.383 11.447 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.917 5.792 11.431 1.00 0.00 H new ATOM 804 N GLU A 54 -10.291 3.665 8.712 1.00 0.00 N ATOM 805 CA GLU A 54 -11.445 2.783 8.503 1.00 0.00 C ATOM 806 C GLU A 54 -11.018 1.313 8.406 1.00 0.00 C ATOM 807 O GLU A 54 -11.528 0.466 9.139 1.00 0.00 O ATOM 808 CB GLU A 54 -12.173 3.188 7.216 1.00 0.00 C ATOM 809 CG GLU A 54 -13.496 2.422 7.095 1.00 0.00 C ATOM 810 CD GLU A 54 -14.483 2.899 8.157 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.189 3.883 8.815 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.518 2.269 8.301 1.00 0.00 O ATOM 0 H GLU A 54 -9.814 3.948 7.856 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.110 2.888 9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.364 4.261 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.543 2.979 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.920 2.570 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.317 1.353 7.209 1.00 0.00 H new ATOM 819 N VAL A 55 -10.101 1.013 7.488 1.00 0.00 N ATOM 820 CA VAL A 55 -9.640 -0.363 7.296 1.00 0.00 C ATOM 821 C VAL A 55 -8.887 -0.896 8.520 1.00 0.00 C ATOM 822 O VAL A 55 -8.769 -2.110 8.696 1.00 0.00 O ATOM 823 CB VAL A 55 -8.743 -0.457 6.054 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.599 -0.270 4.795 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.663 0.634 6.101 1.00 0.00 C ATOM 0 H VAL A 55 -9.665 1.697 6.870 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.526 -0.982 7.156 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.262 -1.435 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.965 -0.336 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.361 -1.048 4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.080 0.708 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.032 0.559 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.138 1.615 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.052 0.503 6.994 1.00 0.00 H new ATOM 835 N ASP A 56 -8.374 0.002 9.358 1.00 0.00 N ATOM 836 CA ASP A 56 -7.633 -0.422 10.547 1.00 0.00 C ATOM 837 C ASP A 56 -8.507 -1.304 11.442 1.00 0.00 C ATOM 838 O ASP A 56 -9.615 -0.922 11.817 1.00 0.00 O ATOM 839 CB ASP A 56 -7.155 0.805 11.327 1.00 0.00 C ATOM 840 CG ASP A 56 -6.299 0.372 12.512 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.638 -0.615 13.140 1.00 0.00 O ATOM 842 OD2 ASP A 56 -5.316 1.040 12.779 1.00 0.00 O ATOM 0 H ASP A 56 -8.455 1.012 9.241 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.768 -1.004 10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.579 1.460 10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.012 1.379 11.678 1.00 0.00 H new ATOM 847 N ALA A 57 -8.000 -2.496 11.761 1.00 0.00 N ATOM 848 CA ALA A 57 -8.737 -3.448 12.593 1.00 0.00 C ATOM 849 C ALA A 57 -8.824 -2.995 14.053 1.00 0.00 C ATOM 850 O ALA A 57 -9.892 -3.048 14.660 1.00 0.00 O ATOM 851 CB ALA A 57 -8.064 -4.821 12.522 1.00 0.00 C ATOM 0 H ALA A 57 -7.084 -2.825 11.456 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.754 -3.505 12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.614 -5.528 13.142 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.059 -5.171 11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.039 -4.743 12.883 1.00 0.00 H new ATOM 857 N ASP A 58 -7.694 -2.568 14.622 1.00 0.00 N ATOM 858 CA ASP A 58 -7.666 -2.130 16.023 1.00 0.00 C ATOM 859 C ASP A 58 -7.918 -0.627 16.140 1.00 0.00 C ATOM 860 O ASP A 58 -7.987 -0.088 17.245 1.00 0.00 O ATOM 861 CB ASP A 58 -6.305 -2.455 16.643 1.00 0.00 C ATOM 862 CG ASP A 58 -6.125 -3.968 16.756 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.110 -4.677 16.636 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.000 -4.398 16.959 1.00 0.00 O ATOM 0 H ASP A 58 -6.795 -2.516 14.142 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.457 -2.660 16.553 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.508 -2.031 16.032 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.228 -1.997 17.629 1.00 0.00 H new ATOM 869 N GLY A 59 -8.041 0.049 15.001 1.00 0.00 N ATOM 870 CA GLY A 59 -8.269 1.493 15.008 1.00 0.00 C ATOM 871 C GLY A 59 -7.023 2.216 15.514 1.00 0.00 C ATOM 872 O GLY A 59 -7.107 3.303 16.089 1.00 0.00 O ATOM 0 H GLY A 59 -7.988 -0.371 14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.515 1.835 14.003 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.121 1.732 15.644 1.00 0.00 H new ATOM 876 N ASN A 60 -5.872 1.588 15.301 1.00 0.00 N ATOM 877 CA ASN A 60 -4.594 2.139 15.734 1.00 0.00 C ATOM 878 C ASN A 60 -4.109 3.202 14.761 1.00 0.00 C ATOM 879 O ASN A 60 -3.198 3.973 15.064 1.00 0.00 O ATOM 880 CB ASN A 60 -3.569 1.001 15.824 1.00 0.00 C ATOM 881 CG ASN A 60 -2.284 1.479 16.490 1.00 0.00 C ATOM 882 OD1 ASN A 60 -1.696 2.476 16.068 1.00 0.00 O ATOM 883 ND2 ASN A 60 -1.806 0.819 17.513 1.00 0.00 N ATOM 0 H ASN A 60 -5.799 0.688 14.826 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.717 2.607 16.711 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.990 0.171 16.391 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.348 0.625 14.825 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.945 1.129 17.963 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.294 -0.006 17.861 1.00 0.00 H new ATOM 890 N GLY A 61 -4.722 3.231 13.583 1.00 0.00 N ATOM 891 CA GLY A 61 -4.349 4.193 12.556 1.00 0.00 C ATOM 892 C GLY A 61 -3.238 3.637 11.670 1.00 0.00 C ATOM 893 O GLY A 61 -2.628 4.371 10.891 1.00 0.00 O ATOM 0 H GLY A 61 -5.478 2.600 13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.219 4.436 11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.018 5.120 13.023 1.00 0.00 H new ATOM 897 N THR A 62 -2.977 2.331 11.796 1.00 0.00 N ATOM 898 CA THR A 62 -1.931 1.682 11.004 1.00 0.00 C ATOM 899 C THR A 62 -2.476 0.442 10.302 1.00 0.00 C ATOM 900 O THR A 62 -3.463 -0.152 10.738 1.00 0.00 O ATOM 901 CB THR A 62 -0.773 1.279 11.918 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.178 0.202 12.752 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.368 2.470 12.790 1.00 0.00 C ATOM 0 H THR A 62 -3.472 1.708 12.434 1.00 0.00 H new ATOM 0 HA THR A 62 -1.581 2.386 10.249 1.00 0.00 H new ATOM 0 HB THR A 62 0.076 0.969 11.308 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.435 -0.057 13.336 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.457 2.181 13.441 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.055 3.297 12.153 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.217 2.781 13.398 1.00 0.00 H new ATOM 911 N ILE A 63 -1.809 0.049 9.212 1.00 0.00 N ATOM 912 CA ILE A 63 -2.214 -1.132 8.446 1.00 0.00 C ATOM 913 C ILE A 63 -1.269 -2.291 8.736 1.00 0.00 C ATOM 914 O ILE A 63 -0.051 -2.179 8.548 1.00 0.00 O ATOM 915 CB ILE A 63 -2.193 -0.822 6.944 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.988 0.462 6.671 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.817 -1.982 6.170 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.377 0.369 7.302 1.00 0.00 C ATOM 0 H ILE A 63 -0.989 0.530 8.842 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.226 -1.407 8.742 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.161 -0.685 6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.454 1.322 7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.079 0.620 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.800 -1.758 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.249 -2.893 6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.848 -2.124 6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.930 1.286 7.101 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.914 -0.479 6.877 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.279 0.233 8.379 1.00 0.00 H new ATOM 930 N ASP A 64 -1.838 -3.394 9.219 1.00 0.00 N ATOM 931 CA ASP A 64 -1.055 -4.574 9.566 1.00 0.00 C ATOM 932 C ASP A 64 -0.741 -5.417 8.333 1.00 0.00 C ATOM 933 O ASP A 64 -1.198 -5.128 7.229 1.00 0.00 O ATOM 934 CB ASP A 64 -1.817 -5.418 10.591 1.00 0.00 C ATOM 935 CG ASP A 64 -3.118 -5.934 9.987 1.00 0.00 C ATOM 936 OD1 ASP A 64 -3.089 -6.360 8.849 1.00 0.00 O ATOM 937 OD2 ASP A 64 -4.125 -5.899 10.676 1.00 0.00 O ATOM 0 H ASP A 64 -2.841 -3.493 9.378 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.111 -4.239 9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.200 -6.257 10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.031 -4.821 11.477 1.00 0.00 H new ATOM 942 N PHE A 65 0.055 -6.455 8.547 1.00 0.00 N ATOM 943 CA PHE A 65 0.463 -7.363 7.476 1.00 0.00 C ATOM 944 C PHE A 65 -0.738 -7.897 6.669 1.00 0.00 C ATOM 945 O PHE A 65 -0.836 -7.646 5.466 1.00 0.00 O ATOM 946 CB PHE A 65 1.259 -8.548 8.086 1.00 0.00 C ATOM 947 CG PHE A 65 2.735 -8.260 8.081 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.189 -7.021 8.525 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.643 -9.232 7.647 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.556 -6.743 8.535 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.011 -8.959 7.656 1.00 0.00 C ATOM 952 CZ PHE A 65 5.469 -7.714 8.100 1.00 0.00 C ATOM 0 H PHE A 65 0.437 -6.694 9.462 1.00 0.00 H new ATOM 0 HA PHE A 65 1.090 -6.801 6.783 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.923 -8.730 9.107 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.059 -9.457 7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.483 -6.276 8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.285 -10.192 7.306 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.910 -5.782 8.877 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.715 -9.707 7.321 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.528 -7.500 8.108 1.00 0.00 H new ATOM 962 N PRO A 66 -1.610 -8.662 7.288 1.00 0.00 N ATOM 963 CA PRO A 66 -2.780 -9.280 6.585 1.00 0.00 C ATOM 964 C PRO A 66 -3.691 -8.261 5.903 1.00 0.00 C ATOM 965 O PRO A 66 -4.076 -8.434 4.746 1.00 0.00 O ATOM 966 CB PRO A 66 -3.531 -10.034 7.709 1.00 0.00 C ATOM 967 CG PRO A 66 -3.025 -9.451 8.991 1.00 0.00 C ATOM 968 CD PRO A 66 -1.594 -9.022 8.714 1.00 0.00 C ATOM 0 HA PRO A 66 -2.453 -9.925 5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.609 -9.902 7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.335 -11.105 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.634 -8.602 9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.064 -10.184 9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.301 -8.177 9.337 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.888 -9.827 8.916 1.00 0.00 H new ATOM 976 N GLU A 67 -4.037 -7.215 6.631 1.00 0.00 N ATOM 977 CA GLU A 67 -4.917 -6.189 6.095 1.00 0.00 C ATOM 978 C GLU A 67 -4.444 -5.720 4.730 1.00 0.00 C ATOM 979 O GLU A 67 -5.214 -5.697 3.769 1.00 0.00 O ATOM 980 CB GLU A 67 -4.961 -5.000 7.057 1.00 0.00 C ATOM 981 CG GLU A 67 -5.785 -5.370 8.288 1.00 0.00 C ATOM 982 CD GLU A 67 -5.726 -4.237 9.309 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.083 -3.241 9.021 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.322 -4.382 10.362 1.00 0.00 O ATOM 0 H GLU A 67 -3.725 -7.053 7.589 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.914 -6.616 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.950 -4.721 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.398 -4.133 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.819 -5.560 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.403 -6.290 8.730 1.00 0.00 H new ATOM 991 N PHE A 68 -3.176 -5.346 4.648 1.00 0.00 N ATOM 992 CA PHE A 68 -2.616 -4.879 3.393 1.00 0.00 C ATOM 993 C PHE A 68 -2.678 -5.976 2.341 1.00 0.00 C ATOM 994 O PHE A 68 -3.134 -5.758 1.223 1.00 0.00 O ATOM 995 CB PHE A 68 -1.166 -4.451 3.600 1.00 0.00 C ATOM 996 CG PHE A 68 -0.619 -3.903 2.303 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.213 -4.783 1.294 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.523 -2.521 2.107 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.289 -4.282 0.088 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.023 -2.019 0.899 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.384 -2.904 -0.109 1.00 0.00 C ATOM 0 H PHE A 68 -2.521 -5.357 5.430 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.201 -4.027 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.106 -3.694 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.568 -5.300 3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.287 -5.850 1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.834 -1.842 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.603 -4.962 -0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.049 -0.953 0.744 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.772 -2.518 -1.040 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.223 -7.160 2.709 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.231 -8.286 1.792 1.00 0.00 C ATOM 1013 C LEU A 69 -3.616 -8.485 1.186 1.00 0.00 C ATOM 1014 O LEU A 69 -3.745 -8.994 0.071 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.776 -9.551 2.542 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.116 -10.840 1.740 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -1.017 -11.891 1.944 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.469 -11.428 2.206 1.00 0.00 C ATOM 0 H LEU A 69 -1.844 -7.367 3.633 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.541 -8.085 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.702 -9.504 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.259 -9.590 3.518 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.183 -10.577 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.264 -12.790 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.064 -11.493 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.942 -12.138 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.690 -12.329 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.412 -11.676 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.259 -10.694 2.047 1.00 0.00 H new ATOM 1030 N THR A 70 -4.649 -8.101 1.925 1.00 0.00 N ATOM 1031 CA THR A 70 -6.019 -8.260 1.448 1.00 0.00 C ATOM 1032 C THR A 70 -6.459 -7.101 0.554 1.00 0.00 C ATOM 1033 O THR A 70 -6.645 -7.273 -0.650 1.00 0.00 O ATOM 1034 CB THR A 70 -6.953 -8.365 2.650 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.521 -9.430 3.488 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.380 -8.632 2.170 1.00 0.00 C ATOM 0 H THR A 70 -4.567 -7.680 2.850 1.00 0.00 H new ATOM 0 HA THR A 70 -6.063 -9.168 0.846 1.00 0.00 H new ATOM 0 HB THR A 70 -6.934 -7.430 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.714 -9.158 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.045 -8.707 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.707 -7.814 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.406 -9.566 1.609 1.00 0.00 H new ATOM 1205 N ALA B 48 -9.689 4.517 -2.077 1.00 0.00 N ATOM 1206 CA ALA B 48 -8.727 3.693 -1.350 1.00 0.00 C ATOM 1207 C ALA B 48 -7.964 2.735 -2.273 1.00 0.00 C ATOM 1208 O ALA B 48 -6.735 2.712 -2.267 1.00 0.00 O ATOM 1209 CB ALA B 48 -9.477 2.887 -0.284 1.00 0.00 C ATOM 0 HA ALA B 48 -7.992 4.356 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.770 2.267 0.267 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.975 3.569 0.405 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.220 2.251 -0.765 1.00 0.00 H new ATOM 1215 N ALA B 49 -8.693 1.947 -3.060 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.058 0.988 -3.967 1.00 0.00 C ATOM 1217 C ALA B 49 -7.182 1.698 -4.991 1.00 0.00 C ATOM 1218 O ALA B 49 -6.081 1.244 -5.307 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.137 0.182 -4.692 1.00 0.00 C ATOM 0 H ALA B 49 -9.713 1.951 -3.090 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.427 0.323 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -8.666 -0.532 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -9.743 -0.355 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.773 0.857 -5.264 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.676 2.813 -5.506 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.938 3.585 -6.493 1.00 0.00 C ATOM 1227 C LEU B 50 -5.651 4.132 -5.890 1.00 0.00 C ATOM 1228 O LEU B 50 -4.597 4.120 -6.526 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.812 4.737 -6.986 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.097 5.531 -8.118 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -8.108 5.922 -9.203 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -6.465 6.815 -7.553 1.00 0.00 C ATOM 0 H LEU B 50 -8.585 3.203 -5.257 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.677 2.937 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.761 4.347 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.042 5.406 -6.156 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.320 4.895 -8.543 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -7.599 6.477 -9.991 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -8.556 5.022 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -8.888 6.545 -8.766 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -5.969 7.360 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.243 7.441 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -5.735 6.554 -6.786 1.00 0.00 H new ATOM 1244 N SER B 51 -5.751 4.616 -4.657 1.00 0.00 N ATOM 1245 CA SER B 51 -4.598 5.174 -3.962 1.00 0.00 C ATOM 1246 C SER B 51 -3.515 4.117 -3.811 1.00 0.00 C ATOM 1247 O SER B 51 -2.331 4.383 -4.028 1.00 0.00 O ATOM 1248 CB SER B 51 -5.028 5.654 -2.578 1.00 0.00 C ATOM 1249 OG SER B 51 -5.317 4.524 -1.764 1.00 0.00 O ATOM 0 H SER B 51 -6.618 4.633 -4.119 1.00 0.00 H new ATOM 0 HA SER B 51 -4.203 6.009 -4.541 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.237 6.252 -2.125 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.906 6.295 -2.658 1.00 0.00 H new ATOM 0 HG SER B 51 -6.002 3.974 -2.199 1.00 0.00 H new ATOM 1255 N TRP B 52 -3.936 2.918 -3.436 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.009 1.815 -3.253 1.00 0.00 C ATOM 1257 C TRP B 52 -2.387 1.410 -4.587 1.00 0.00 C ATOM 1258 O TRP B 52 -1.188 1.146 -4.667 1.00 0.00 O ATOM 1259 CB TRP B 52 -3.742 0.621 -2.626 1.00 0.00 C ATOM 1260 CG TRP B 52 -3.996 0.874 -1.166 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.221 0.926 -0.588 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.029 1.106 -0.096 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.068 1.177 0.764 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.739 1.296 1.118 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.623 1.171 -0.056 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.079 1.539 2.323 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -0.958 1.416 1.154 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.679 1.599 2.340 1.00 0.00 C ATOM 0 H TRP B 52 -4.912 2.686 -3.253 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.209 2.135 -2.585 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -4.687 0.453 -3.143 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.147 -0.284 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.163 0.793 -1.099 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -5.844 1.264 1.420 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.053 1.031 -0.963 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.642 1.680 3.234 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 0.121 1.464 1.171 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.157 1.786 3.267 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.214 1.359 -5.630 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.737 0.979 -6.959 1.00 0.00 C ATOM 1281 C GLN B 53 -1.734 1.998 -7.506 1.00 0.00 C ATOM 1282 O GLN B 53 -0.730 1.630 -8.115 1.00 0.00 O ATOM 1283 CB GLN B 53 -3.924 0.862 -7.921 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.435 0.411 -9.306 1.00 0.00 C ATOM 1285 CD GLN B 53 -2.921 1.609 -10.103 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -1.766 1.619 -10.531 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -3.712 2.626 -10.319 1.00 0.00 N ATOM 0 H GLN B 53 -4.210 1.574 -5.582 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.232 0.017 -6.873 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.649 0.147 -7.532 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.434 1.822 -8.001 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.642 -0.329 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.249 -0.072 -9.847 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.668 2.613 -9.963 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.374 3.433 -10.844 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.016 3.280 -7.298 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.128 4.334 -7.785 1.00 0.00 C ATOM 1298 C ALA B 54 0.163 4.395 -6.968 1.00 0.00 C ATOM 1299 O ALA B 54 1.238 4.657 -7.508 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.837 5.688 -7.722 1.00 0.00 C ATOM 0 H ALA B 54 -2.842 3.614 -6.802 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.870 4.102 -8.818 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.167 6.467 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.732 5.659 -8.343 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.117 5.904 -6.691 1.00 0.00 H new ATOM 1306 N ALA B 55 0.045 4.167 -5.662 1.00 0.00 N ATOM 1307 CA ALA B 55 1.207 4.208 -4.777 1.00 0.00 C ATOM 1308 C ALA B 55 2.135 3.021 -5.023 1.00 0.00 C ATOM 1309 O ALA B 55 3.348 3.188 -5.162 1.00 0.00 O ATOM 1310 CB ALA B 55 0.742 4.201 -3.320 1.00 0.00 C ATOM 0 H ALA B 55 -0.837 3.953 -5.195 1.00 0.00 H new ATOM 0 HA ALA B 55 1.762 5.123 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.610 4.232 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.114 5.073 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.170 3.294 -3.125 1.00 0.00 H new ATOM 1316 N ILE B 56 1.560 1.824 -5.068 1.00 0.00 N ATOM 1317 CA ILE B 56 2.346 0.614 -5.291 1.00 0.00 C ATOM 1318 C ILE B 56 2.924 0.595 -6.702 1.00 0.00 C ATOM 1319 O ILE B 56 4.087 0.246 -6.906 1.00 0.00 O ATOM 1320 CB ILE B 56 1.456 -0.616 -5.078 1.00 0.00 C ATOM 1321 CG1 ILE B 56 2.318 -1.882 -5.016 1.00 0.00 C ATOM 1322 CG2 ILE B 56 0.454 -0.741 -6.229 1.00 0.00 C ATOM 1323 CD1 ILE B 56 1.470 -3.061 -4.526 1.00 0.00 C ATOM 0 H ILE B 56 0.559 1.665 -4.954 1.00 0.00 H new ATOM 0 HA ILE B 56 3.174 0.598 -4.582 1.00 0.00 H new ATOM 0 HB ILE B 56 0.916 -0.500 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE B 56 2.729 -2.102 -6.001 1.00 0.00 H new ATOM 0 HG13 ILE B 56 3.163 -1.726 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE B 56 -0.175 -1.617 -6.071 1.00 0.00 H new ATOM 0 HG22 ILE B 56 -0.170 0.152 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE B 56 0.993 -0.847 -7.171 1.00 0.00 H new ATOM 0 HD11 ILE B 56 2.086 -3.959 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE B 56 1.080 -2.841 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.640 -3.223 -5.214 1.00 0.00 H new ATOM 1335 N ASP B 57 2.100 0.974 -7.670 1.00 0.00 N ATOM 1336 CA ASP B 57 2.526 1.001 -9.061 1.00 0.00 C ATOM 1337 C ASP B 57 3.653 2.011 -9.255 1.00 0.00 C ATOM 1338 O ASP B 57 4.600 1.763 -10.001 1.00 0.00 O ATOM 1339 CB ASP B 57 1.338 1.371 -9.953 1.00 0.00 C ATOM 1340 CG ASP B 57 1.766 1.410 -11.416 1.00 0.00 C ATOM 1341 OD1 ASP B 57 2.946 1.247 -11.674 1.00 0.00 O ATOM 1342 OD2 ASP B 57 0.904 1.607 -12.259 1.00 0.00 O ATOM 0 H ASP B 57 1.135 1.266 -7.517 1.00 0.00 H new ATOM 0 HA ASP B 57 2.895 0.013 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.536 0.645 -9.821 1.00 0.00 H new ATOM 0 HB3 ASP B 57 0.941 2.342 -9.657 1.00 0.00 H new ATOM 1347 N ALA B 58 3.542 3.147 -8.574 1.00 0.00 N ATOM 1348 CA ALA B 58 4.563 4.189 -8.679 1.00 0.00 C ATOM 1349 C ALA B 58 5.807 3.807 -7.878 1.00 0.00 C ATOM 1350 O ALA B 58 6.931 3.867 -8.386 1.00 0.00 O ATOM 1351 CB ALA B 58 4.002 5.519 -8.175 1.00 0.00 C ATOM 0 H ALA B 58 2.766 3.370 -7.950 1.00 0.00 H new ATOM 0 HA ALA B 58 4.847 4.294 -9.726 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.767 6.291 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.138 5.801 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.700 5.415 -7.133 1.00 0.00 H new ATOM 1357 N ALA B 59 5.600 3.404 -6.627 1.00 0.00 N ATOM 1358 CA ALA B 59 6.710 3.005 -5.769 1.00 0.00 C ATOM 1359 C ALA B 59 7.457 1.826 -6.392 1.00 0.00 C ATOM 1360 O ALA B 59 8.689 1.807 -6.425 1.00 0.00 O ATOM 1361 CB ALA B 59 6.181 2.617 -4.385 1.00 0.00 C ATOM 0 H ALA B 59 4.681 3.346 -6.188 1.00 0.00 H new ATOM 0 HA ALA B 59 7.399 3.843 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA B 59 7.014 2.320 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.669 3.470 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.483 1.785 -4.482 1.00 0.00 H new ATOM 1367 N ARG B 60 6.701 0.853 -6.899 1.00 0.00 N ATOM 1368 CA ARG B 60 7.286 -0.312 -7.531 1.00 0.00 C ATOM 1369 C ARG B 60 8.041 0.087 -8.797 1.00 0.00 C ATOM 1370 O ARG B 60 9.134 -0.413 -9.059 1.00 0.00 O ATOM 1371 CB ARG B 60 6.181 -1.302 -7.874 1.00 0.00 C ATOM 1372 CG ARG B 60 6.797 -2.566 -8.458 1.00 0.00 C ATOM 1373 CD ARG B 60 5.703 -3.596 -8.678 1.00 0.00 C ATOM 1374 NE ARG B 60 4.807 -3.137 -9.728 1.00 0.00 N ATOM 1375 CZ ARG B 60 3.727 -3.831 -10.088 1.00 0.00 C ATOM 1376 NH1 ARG B 60 3.473 -5.002 -9.553 1.00 0.00 N ATOM 1377 NH2 ARG B 60 2.927 -3.341 -10.998 1.00 0.00 N ATOM 0 H ARG B 60 5.681 0.855 -6.881 1.00 0.00 H new ATOM 0 HA ARG B 60 7.993 -0.775 -6.843 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.605 -1.544 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.489 -0.858 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG B 60 7.296 -2.340 -9.400 1.00 0.00 H new ATOM 0 HG3 ARG B 60 7.555 -2.961 -7.782 1.00 0.00 H new ATOM 0 HD2 ARG B 60 6.142 -4.555 -8.954 1.00 0.00 H new ATOM 0 HD3 ARG B 60 5.147 -3.754 -7.754 1.00 0.00 H new ATOM 0 HE ARG B 60 5.011 -2.258 -10.203 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.105 -5.391 -8.853 1.00 0.00 H new ATOM 0 HH12 ARG B 60 2.643 -5.523 -9.837 1.00 0.00 H new ATOM 0 HH21 ARG B 60 3.132 -2.437 -11.424 1.00 0.00 H new ATOM 0 HH22 ARG B 60 2.098 -3.862 -11.282 1.00 0.00 H new ATOM 1391 N GLN B 61 7.453 0.993 -9.578 1.00 0.00 N ATOM 1392 CA GLN B 61 8.092 1.443 -10.809 1.00 0.00 C ATOM 1393 C GLN B 61 9.502 1.936 -10.507 1.00 0.00 C ATOM 1394 O GLN B 61 10.458 1.589 -11.203 1.00 0.00 O ATOM 1395 CB GLN B 61 7.271 2.577 -11.441 1.00 0.00 C ATOM 1396 CG GLN B 61 7.938 3.040 -12.737 1.00 0.00 C ATOM 1397 CD GLN B 61 7.056 4.065 -13.447 1.00 0.00 C ATOM 1398 OE1 GLN B 61 5.868 4.182 -13.143 1.00 0.00 O ATOM 1399 NE2 GLN B 61 7.572 4.822 -14.384 1.00 0.00 N ATOM 0 H GLN B 61 6.549 1.423 -9.383 1.00 0.00 H new ATOM 0 HA GLN B 61 8.145 0.608 -11.508 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.257 2.234 -11.646 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.190 3.412 -10.745 1.00 0.00 H new ATOM 0 HG2 GLN B 61 8.912 3.478 -12.517 1.00 0.00 H new ATOM 0 HG3 GLN B 61 8.113 2.185 -13.390 1.00 0.00 H new ATOM 0 HE21 GLN B 61 8.556 4.724 -14.635 1.00 0.00 H new ATOM 0 HE22 GLN B 61 6.990 5.509 -14.863 1.00 0.00 H new ATOM 1408 N ALA B 62 9.625 2.733 -9.450 1.00 0.00 N ATOM 1409 CA ALA B 62 10.923 3.258 -9.047 1.00 0.00 C ATOM 1410 C ALA B 62 11.831 2.117 -8.605 1.00 0.00 C ATOM 1411 O ALA B 62 13.030 2.119 -8.886 1.00 0.00 O ATOM 1412 CB ALA B 62 10.750 4.260 -7.904 1.00 0.00 C ATOM 0 H ALA B 62 8.846 3.027 -8.861 1.00 0.00 H new ATOM 0 HA ALA B 62 11.379 3.766 -9.897 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.725 4.647 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA B 62 10.117 5.084 -8.235 1.00 0.00 H new ATOM 0 HB3 ALA B 62 10.284 3.764 -7.053 1.00 0.00 H new ATOM 1418 N LYS B 63 11.249 1.143 -7.912 1.00 0.00 N ATOM 1419 CA LYS B 63 12.015 -0.002 -7.440 1.00 0.00 C ATOM 1420 C LYS B 63 12.572 -0.792 -8.617 1.00 0.00 C ATOM 1421 O LYS B 63 13.732 -1.206 -8.608 1.00 0.00 O ATOM 1422 CB LYS B 63 11.126 -0.909 -6.578 1.00 0.00 C ATOM 1423 CG LYS B 63 11.898 -2.155 -6.119 1.00 0.00 C ATOM 1424 CD LYS B 63 13.107 -1.740 -5.270 1.00 0.00 C ATOM 1425 CE LYS B 63 13.584 -2.925 -4.440 1.00 0.00 C ATOM 1426 NZ LYS B 63 12.486 -3.354 -3.534 1.00 0.00 N ATOM 0 H LYS B 63 10.259 1.124 -7.667 1.00 0.00 H new ATOM 0 HA LYS B 63 12.847 0.362 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.770 -0.356 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.246 -1.210 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS B 63 11.243 -2.806 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.231 -2.727 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS B 63 13.912 -1.388 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS B 63 12.837 -0.911 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.877 -3.748 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS B 63 14.464 -2.648 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 12.890 -3.714 -2.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 11.868 -2.543 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 11.932 -4.105 -3.992 1.00 0.00 H new ATOM 1440 N LEU B 64 11.732 -1.012 -9.620 1.00 0.00 N ATOM 1441 CA LEU B 64 12.142 -1.772 -10.791 1.00 0.00 C ATOM 1442 C LEU B 64 13.291 -1.078 -11.517 1.00 0.00 C ATOM 1443 O LEU B 64 14.249 -1.725 -11.940 1.00 0.00 O ATOM 1444 CB LEU B 64 10.948 -1.945 -11.742 1.00 0.00 C ATOM 1445 CG LEU B 64 11.391 -2.633 -13.046 1.00 0.00 C ATOM 1446 CD1 LEU B 64 12.082 -3.966 -12.730 1.00 0.00 C ATOM 1447 CD2 LEU B 64 10.161 -2.893 -13.924 1.00 0.00 C ATOM 0 H LEU B 64 10.769 -0.677 -9.646 1.00 0.00 H new ATOM 0 HA LEU B 64 12.489 -2.752 -10.462 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.172 -2.538 -11.257 1.00 0.00 H new ATOM 0 HB3 LEU B 64 10.512 -0.972 -11.968 1.00 0.00 H new ATOM 0 HG LEU B 64 12.092 -1.985 -13.572 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.391 -4.445 -13.659 1.00 0.00 H new ATOM 0 HD12 LEU B 64 12.957 -3.783 -12.107 1.00 0.00 H new ATOM 0 HD13 LEU B 64 11.389 -4.618 -12.199 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.470 -3.380 -14.849 1.00 0.00 H new ATOM 0 HD22 LEU B 64 9.463 -3.538 -13.390 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.674 -1.946 -14.158 1.00 0.00 H new ATOM 1459 N MET B 65 13.183 0.237 -11.667 1.00 0.00 N ATOM 1460 CA MET B 65 14.215 1.007 -12.357 1.00 0.00 C ATOM 1461 C MET B 65 15.525 0.992 -11.567 1.00 0.00 C ATOM 1462 O MET B 65 16.609 0.929 -12.152 1.00 0.00 O ATOM 1463 CB MET B 65 13.733 2.452 -12.557 1.00 0.00 C ATOM 1464 CG MET B 65 12.813 2.528 -13.781 1.00 0.00 C ATOM 1465 SD MET B 65 11.536 1.252 -13.655 1.00 0.00 S ATOM 1466 CE MET B 65 11.298 0.991 -15.431 1.00 0.00 C ATOM 0 H MET B 65 12.398 0.790 -11.324 1.00 0.00 H new ATOM 0 HA MET B 65 14.401 0.550 -13.329 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.201 2.794 -11.669 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.588 3.115 -12.691 1.00 0.00 H new ATOM 0 HG2 MET B 65 12.352 3.514 -13.842 1.00 0.00 H new ATOM 0 HG3 MET B 65 13.392 2.389 -14.694 1.00 0.00 H new ATOM 0 HE1 MET B 65 10.536 0.227 -15.588 1.00 0.00 H new ATOM 0 HE2 MET B 65 10.978 1.923 -15.896 1.00 0.00 H new ATOM 0 HE3 MET B 65 12.236 0.665 -15.880 1.00 0.00 H new ATOM 1476 N GLY B 66 15.420 1.044 -10.243 1.00 0.00 N ATOM 1477 CA GLY B 66 16.605 1.027 -9.388 1.00 0.00 C ATOM 1478 C GLY B 66 17.289 2.394 -9.332 1.00 0.00 C ATOM 1479 O GLY B 66 18.470 2.489 -9.000 1.00 0.00 O ATOM 0 H GLY B 66 14.534 1.098 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.321 0.722 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.310 0.283 -9.760 1.00 0.00 H new