USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 639 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 51 THR OG1 : rot 85:sc= 1.03 USER MOD Set 1.2: A 62 CYS SG : rot -57:sc= 0.124 USER MOD Set 2.1: A 46 HIS : no HD1:sc= -0.276 K(o=-0.23,f=0.29) USER MOD Set 2.2: A 48 CYS SG : rot 3:sc= 0.0489 USER MOD Single : A 6 GLN : amide:sc= -1.44! C(o=-1.4!,f=-1.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.795 K(o=-0.79,f=-2.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -48:sc= -0.342 USER MOD Single : A 47 ASN : amide:sc= 0.0367 K(o=0.037,f=-2.1!) USER MOD Single : A 55 MET CE :methyl -161:sc= -0.121 (180deg=-0.65) USER MOD Single : A 56 SER OG : rot 180:sc= -0.213 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0237 (180deg=-0.244) USER MOD Single : A 80 SER OG : rot 180:sc= -0.159 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0528 (180deg=-0.245) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -170:sc= -3.32! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 136:sc= 0.66 (180deg=0.0244) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0365 (180deg=-0.271) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.482 5.953 -1.977 1.00 0.00 N ATOM 63 CA GLN A 6 -15.318 6.827 -2.065 1.00 0.00 C ATOM 64 C GLN A 6 -14.029 6.010 -2.140 1.00 0.00 C ATOM 65 O GLN A 6 -13.865 5.030 -1.413 1.00 0.00 O ATOM 66 CB GLN A 6 -15.264 7.774 -0.861 1.00 0.00 C ATOM 67 CG GLN A 6 -16.418 8.764 -0.803 1.00 0.00 C ATOM 68 CD GLN A 6 -17.764 8.089 -0.618 1.00 0.00 C ATOM 69 OE1 GLN A 6 -17.995 7.402 0.377 1.00 0.00 O ATOM 70 NE2 GLN A 6 -18.659 8.282 -1.578 1.00 0.00 N ATOM 0 HA GLN A 6 -15.410 7.418 -2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.260 7.182 0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.325 8.327 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.251 9.462 0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.434 9.350 -1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.424 8.859 -2.385 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.582 7.853 -1.509 1.00 0.00 H new ATOM 79 N PRO A 7 -13.093 6.403 -3.023 1.00 0.00 N ATOM 80 CA PRO A 7 -11.815 5.700 -3.184 1.00 0.00 C ATOM 81 C PRO A 7 -11.001 5.687 -1.892 1.00 0.00 C ATOM 82 O PRO A 7 -10.927 6.694 -1.187 1.00 0.00 O ATOM 83 CB PRO A 7 -11.085 6.500 -4.270 1.00 0.00 C ATOM 84 CG PRO A 7 -11.773 7.822 -4.315 1.00 0.00 C ATOM 85 CD PRO A 7 -13.200 7.561 -3.928 1.00 0.00 C ATOM 0 HA PRO A 7 -11.961 4.652 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.028 6.615 -4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.140 5.995 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.306 8.528 -3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.713 8.259 -5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.647 8.422 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.819 7.338 -4.797 1.00 0.00 H new ATOM 93 N PRO A 8 -10.377 4.540 -1.561 1.00 0.00 N ATOM 94 CA PRO A 8 -9.567 4.400 -0.344 1.00 0.00 C ATOM 95 C PRO A 8 -8.455 5.441 -0.265 1.00 0.00 C ATOM 96 O PRO A 8 -7.746 5.682 -1.243 1.00 0.00 O ATOM 97 CB PRO A 8 -8.970 2.989 -0.460 1.00 0.00 C ATOM 98 CG PRO A 8 -9.154 2.602 -1.889 1.00 0.00 C ATOM 99 CD PRO A 8 -10.407 3.292 -2.337 1.00 0.00 C ATOM 0 HA PRO A 8 -10.164 4.548 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.916 2.984 -0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.478 2.291 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.300 2.911 -2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.243 1.521 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.405 3.481 -3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.296 2.700 -2.120 1.00 0.00 H new ATOM 107 N LEU A 9 -8.311 6.055 0.906 1.00 0.00 N ATOM 108 CA LEU A 9 -7.286 7.072 1.115 1.00 0.00 C ATOM 109 C LEU A 9 -6.326 6.661 2.228 1.00 0.00 C ATOM 110 O LEU A 9 -6.729 6.506 3.381 1.00 0.00 O ATOM 111 CB LEU A 9 -7.942 8.413 1.459 1.00 0.00 C ATOM 112 CG LEU A 9 -6.974 9.549 1.805 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.075 9.871 0.621 1.00 0.00 C ATOM 114 CD2 LEU A 9 -7.746 10.785 2.242 1.00 0.00 C ATOM 0 H LEU A 9 -8.891 5.866 1.724 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.715 7.176 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.555 8.726 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.615 8.263 2.303 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.342 9.223 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.396 10.680 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.497 8.987 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.687 10.177 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.046 11.584 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.401 11.110 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.345 10.548 3.121 1.00 0.00 H new ATOM 126 N VAL A 10 -5.055 6.496 1.874 1.00 0.00 N ATOM 127 CA VAL A 10 -4.030 6.113 2.839 1.00 0.00 C ATOM 128 C VAL A 10 -3.510 7.334 3.592 1.00 0.00 C ATOM 129 O VAL A 10 -3.198 8.358 2.985 1.00 0.00 O ATOM 130 CB VAL A 10 -2.849 5.402 2.151 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.772 5.037 3.163 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.329 4.166 1.406 1.00 0.00 C ATOM 0 H VAL A 10 -4.710 6.622 0.923 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.494 5.423 3.544 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.413 6.090 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.949 4.536 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.403 5.943 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.192 4.370 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.481 3.678 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.795 3.476 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.056 4.458 0.648 1.00 0.00 H new ATOM 142 N THR A 11 -3.420 7.216 4.914 1.00 0.00 N ATOM 143 CA THR A 11 -2.942 8.310 5.754 1.00 0.00 C ATOM 144 C THR A 11 -2.277 7.778 7.021 1.00 0.00 C ATOM 145 O THR A 11 -2.579 8.228 8.128 1.00 0.00 O ATOM 146 CB THR A 11 -4.093 9.255 6.162 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.119 8.513 6.832 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.683 9.963 4.952 1.00 0.00 C ATOM 0 H THR A 11 -3.673 6.372 5.427 1.00 0.00 H new ATOM 0 HA THR A 11 -2.214 8.865 5.162 1.00 0.00 H new ATOM 0 HB THR A 11 -3.686 10.010 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.845 9.118 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.491 10.621 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.908 10.553 4.462 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.073 9.224 4.253 1.00 0.00 H new ATOM 156 N GLY A 12 -1.372 6.817 6.856 1.00 0.00 N ATOM 157 CA GLY A 12 -0.688 6.245 8.002 1.00 0.00 C ATOM 158 C GLY A 12 0.353 5.211 7.616 1.00 0.00 C ATOM 159 O GLY A 12 0.169 4.461 6.656 1.00 0.00 O ATOM 0 H GLY A 12 -1.101 6.426 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.207 7.044 8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.422 5.784 8.663 1.00 0.00 H new ATOM 163 N ILE A 13 1.446 5.171 8.371 1.00 0.00 N ATOM 164 CA ILE A 13 2.526 4.223 8.119 1.00 0.00 C ATOM 165 C ILE A 13 3.432 4.103 9.340 1.00 0.00 C ATOM 166 O ILE A 13 3.862 5.110 9.902 1.00 0.00 O ATOM 167 CB ILE A 13 3.373 4.641 6.897 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.484 3.618 6.642 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.963 6.031 7.106 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.250 3.859 5.359 1.00 0.00 C ATOM 0 H ILE A 13 1.608 5.788 9.167 1.00 0.00 H new ATOM 0 HA ILE A 13 2.065 3.258 7.910 1.00 0.00 H new ATOM 0 HB ILE A 13 2.725 4.672 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.181 3.635 7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.047 2.620 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.557 6.309 6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.157 6.752 7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.598 6.027 7.992 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.020 3.096 5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.565 3.812 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.717 4.843 5.394 1.00 0.00 H new ATOM 182 N SER A 14 3.721 2.871 9.751 1.00 0.00 N ATOM 183 CA SER A 14 4.579 2.652 10.907 1.00 0.00 C ATOM 184 C SER A 14 5.984 3.197 10.638 1.00 0.00 C ATOM 185 O SER A 14 6.450 4.078 11.360 1.00 0.00 O ATOM 186 CB SER A 14 4.628 1.169 11.285 1.00 0.00 C ATOM 187 OG SER A 14 5.471 0.955 12.404 1.00 0.00 O ATOM 0 H SER A 14 3.378 2.020 9.306 1.00 0.00 H new ATOM 0 HA SER A 14 4.157 3.193 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.622 0.815 11.511 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.989 0.586 10.437 1.00 0.00 H new ATOM 0 HG SER A 14 5.484 0.001 12.626 1.00 0.00 H new ATOM 193 N PRO A 15 6.685 2.702 9.591 1.00 0.00 N ATOM 194 CA PRO A 15 8.026 3.183 9.261 1.00 0.00 C ATOM 195 C PRO A 15 8.003 4.600 8.697 1.00 0.00 C ATOM 196 O PRO A 15 7.154 5.413 9.062 1.00 0.00 O ATOM 197 CB PRO A 15 8.534 2.196 8.197 1.00 0.00 C ATOM 198 CG PRO A 15 7.549 1.078 8.178 1.00 0.00 C ATOM 199 CD PRO A 15 6.248 1.658 8.652 1.00 0.00 C ATOM 0 HA PRO A 15 8.662 3.227 10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.601 2.675 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.532 1.834 8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.448 0.665 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.872 0.264 8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.665 2.071 7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.624 0.909 9.140 1.00 0.00 H new ATOM 207 N ASN A 16 8.944 4.882 7.802 1.00 0.00 N ATOM 208 CA ASN A 16 9.051 6.192 7.176 1.00 0.00 C ATOM 209 C ASN A 16 10.148 6.185 6.114 1.00 0.00 C ATOM 210 O ASN A 16 10.131 6.991 5.185 1.00 0.00 O ATOM 211 CB ASN A 16 9.334 7.265 8.231 1.00 0.00 C ATOM 212 CG ASN A 16 9.471 8.654 7.636 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.384 8.924 6.857 1.00 0.00 O ATOM 214 ND2 ASN A 16 8.558 9.546 8.005 1.00 0.00 N ATOM 0 H ASN A 16 9.649 4.213 7.493 1.00 0.00 H new ATOM 0 HA ASN A 16 8.103 6.425 6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.528 7.267 8.965 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.250 7.011 8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.598 10.497 7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.817 9.279 8.654 1.00 0.00 H new ATOM 221 N GLU A 17 11.098 5.264 6.259 1.00 0.00 N ATOM 222 CA GLU A 17 12.203 5.150 5.313 1.00 0.00 C ATOM 223 C GLU A 17 12.908 3.806 5.462 1.00 0.00 C ATOM 224 O GLU A 17 13.200 3.366 6.575 1.00 0.00 O ATOM 225 CB GLU A 17 13.200 6.292 5.519 1.00 0.00 C ATOM 226 CG GLU A 17 13.801 6.335 6.915 1.00 0.00 C ATOM 227 CD GLU A 17 14.805 7.459 7.085 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.415 8.633 6.917 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.981 7.164 7.386 1.00 0.00 O ATOM 0 H GLU A 17 11.124 4.587 7.022 1.00 0.00 H new ATOM 0 HA GLU A 17 11.795 5.215 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.004 6.196 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.700 7.240 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.002 6.453 7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.288 5.383 7.126 1.00 0.00 H new ATOM 236 N GLY A 18 13.171 3.156 4.333 1.00 0.00 N ATOM 237 CA GLY A 18 13.832 1.865 4.355 1.00 0.00 C ATOM 238 C GLY A 18 13.815 1.184 3.001 1.00 0.00 C ATOM 239 O GLY A 18 12.996 1.520 2.144 1.00 0.00 O ATOM 0 H GLY A 18 12.938 3.501 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.864 1.994 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.344 1.222 5.088 1.00 0.00 H new ATOM 243 N ILE A 19 14.718 0.226 2.809 1.00 0.00 N ATOM 244 CA ILE A 19 14.802 -0.509 1.551 1.00 0.00 C ATOM 245 C ILE A 19 13.433 -1.054 1.142 1.00 0.00 C ATOM 246 O ILE A 19 12.561 -1.251 1.986 1.00 0.00 O ATOM 247 CB ILE A 19 15.816 -1.667 1.637 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.462 -2.606 2.795 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.227 -1.118 1.799 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.379 -3.805 2.908 1.00 0.00 C ATOM 0 H ILE A 19 15.402 -0.059 3.510 1.00 0.00 H new ATOM 0 HA ILE A 19 15.146 0.195 0.793 1.00 0.00 H new ATOM 0 HB ILE A 19 15.772 -2.240 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.495 -2.045 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.437 -2.954 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.935 -1.945 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.474 -0.490 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.284 -0.525 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.067 -4.424 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.328 -4.390 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.403 -3.466 3.067 1.00 0.00 H new ATOM 262 N PRO A 20 13.215 -1.281 -0.166 1.00 0.00 N ATOM 263 CA PRO A 20 11.935 -1.781 -0.687 1.00 0.00 C ATOM 264 C PRO A 20 11.412 -3.019 0.044 1.00 0.00 C ATOM 265 O PRO A 20 10.217 -3.130 0.309 1.00 0.00 O ATOM 266 CB PRO A 20 12.259 -2.125 -2.141 1.00 0.00 C ATOM 267 CG PRO A 20 13.379 -1.214 -2.501 1.00 0.00 C ATOM 268 CD PRO A 20 14.193 -1.044 -1.248 1.00 0.00 C ATOM 0 HA PRO A 20 11.145 -1.041 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.549 -3.170 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.396 -1.967 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.983 -1.636 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.003 -0.254 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.018 -1.755 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.628 -0.047 -1.184 1.00 0.00 H new ATOM 276 N TRP A 21 12.298 -3.957 0.351 1.00 0.00 N ATOM 277 CA TRP A 21 11.895 -5.186 1.028 1.00 0.00 C ATOM 278 C TRP A 21 11.495 -4.939 2.484 1.00 0.00 C ATOM 279 O TRP A 21 11.026 -5.851 3.164 1.00 0.00 O ATOM 280 CB TRP A 21 13.012 -6.226 0.955 1.00 0.00 C ATOM 281 CG TRP A 21 13.411 -6.553 -0.451 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.335 -5.899 -1.215 1.00 0.00 C ATOM 283 CD2 TRP A 21 12.873 -7.595 -1.274 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.419 -6.484 -2.456 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.530 -7.525 -2.518 1.00 0.00 C ATOM 286 CE3 TRP A 21 11.905 -8.583 -1.079 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.248 -8.406 -3.558 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.625 -9.456 -2.112 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.295 -9.363 -3.339 1.00 0.00 C ATOM 0 H TRP A 21 13.295 -3.893 0.144 1.00 0.00 H new ATOM 0 HA TRP A 21 11.015 -5.567 0.509 1.00 0.00 H new ATOM 0 HB2 TRP A 21 13.882 -5.857 1.498 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.687 -7.137 1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.915 -5.047 -0.892 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.042 -6.191 -3.209 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.384 -8.663 -0.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.763 -8.337 -4.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.877 -10.223 -1.972 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.054 -10.061 -4.128 1.00 0.00 H new ATOM 300 N THR A 22 11.679 -3.710 2.958 1.00 0.00 N ATOM 301 CA THR A 22 11.329 -3.368 4.335 1.00 0.00 C ATOM 302 C THR A 22 9.823 -3.452 4.559 1.00 0.00 C ATOM 303 O THR A 22 9.038 -2.916 3.776 1.00 0.00 O ATOM 304 CB THR A 22 11.809 -1.951 4.713 1.00 0.00 C ATOM 305 OG1 THR A 22 13.234 -1.872 4.611 1.00 0.00 O ATOM 306 CG2 THR A 22 11.379 -1.590 6.127 1.00 0.00 C ATOM 0 H THR A 22 12.066 -2.939 2.414 1.00 0.00 H new ATOM 0 HA THR A 22 11.834 -4.095 4.971 1.00 0.00 H new ATOM 0 HB THR A 22 11.354 -1.243 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.530 -0.969 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.730 -0.587 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.292 -1.621 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.807 -2.304 6.831 1.00 0.00 H new ATOM 314 N LYS A 23 9.427 -4.117 5.640 1.00 0.00 N ATOM 315 CA LYS A 23 8.015 -4.259 5.972 1.00 0.00 C ATOM 316 C LYS A 23 7.417 -2.908 6.348 1.00 0.00 C ATOM 317 O LYS A 23 8.036 -2.125 7.070 1.00 0.00 O ATOM 318 CB LYS A 23 7.833 -5.250 7.125 1.00 0.00 C ATOM 319 CG LYS A 23 6.382 -5.438 7.544 1.00 0.00 C ATOM 320 CD LYS A 23 6.257 -6.416 8.700 1.00 0.00 C ATOM 321 CE LYS A 23 4.815 -6.557 9.157 1.00 0.00 C ATOM 322 NZ LYS A 23 4.685 -7.503 10.300 1.00 0.00 N ATOM 0 H LYS A 23 10.063 -4.565 6.299 1.00 0.00 H new ATOM 0 HA LYS A 23 7.494 -4.642 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.246 -6.215 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.409 -4.905 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.958 -4.476 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.801 -5.800 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.641 -7.390 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.872 -6.077 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.429 -5.580 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.203 -6.906 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.686 -7.571 10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.029 -8.442 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.248 -7.157 11.103 1.00 0.00 H new ATOM 336 N VAL A 24 6.215 -2.638 5.854 1.00 0.00 N ATOM 337 CA VAL A 24 5.539 -1.379 6.139 1.00 0.00 C ATOM 338 C VAL A 24 4.044 -1.597 6.354 1.00 0.00 C ATOM 339 O VAL A 24 3.367 -2.207 5.526 1.00 0.00 O ATOM 340 CB VAL A 24 5.751 -0.354 5.003 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.226 -0.012 4.858 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.195 -0.881 3.688 1.00 0.00 C ATOM 0 H VAL A 24 5.689 -3.274 5.254 1.00 0.00 H new ATOM 0 HA VAL A 24 5.977 -0.981 7.054 1.00 0.00 H new ATOM 0 HB VAL A 24 5.210 0.556 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.354 0.711 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.594 0.415 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.788 -0.917 4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.356 -0.142 2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.704 -1.808 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.127 -1.071 3.795 1.00 0.00 H new ATOM 352 N THR A 25 3.538 -1.101 7.477 1.00 0.00 N ATOM 353 CA THR A 25 2.125 -1.247 7.806 1.00 0.00 C ATOM 354 C THR A 25 1.282 -0.207 7.078 1.00 0.00 C ATOM 355 O THR A 25 1.482 0.995 7.244 1.00 0.00 O ATOM 356 CB THR A 25 1.887 -1.117 9.323 1.00 0.00 C ATOM 357 OG1 THR A 25 2.660 -2.099 10.023 1.00 0.00 O ATOM 358 CG2 THR A 25 0.414 -1.295 9.660 1.00 0.00 C ATOM 0 H THR A 25 4.084 -0.595 8.174 1.00 0.00 H new ATOM 0 HA THR A 25 1.824 -2.244 7.483 1.00 0.00 H new ATOM 0 HB THR A 25 2.196 -0.118 9.632 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.506 -2.010 10.987 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.273 -1.199 10.737 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.171 -0.532 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.084 -2.282 9.338 1.00 0.00 H new ATOM 366 N ILE A 26 0.332 -0.679 6.278 1.00 0.00 N ATOM 367 CA ILE A 26 -0.549 0.211 5.533 1.00 0.00 C ATOM 368 C ILE A 26 -1.723 0.655 6.397 1.00 0.00 C ATOM 369 O ILE A 26 -2.332 -0.153 7.097 1.00 0.00 O ATOM 370 CB ILE A 26 -1.085 -0.461 4.253 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.076 -0.894 3.353 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.016 0.487 3.509 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.365 -1.620 2.099 1.00 0.00 C ATOM 0 H ILE A 26 0.153 -1.672 6.129 1.00 0.00 H new ATOM 0 HA ILE A 26 0.042 1.081 5.247 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.651 -1.349 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.652 -0.013 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.743 -1.542 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.387 -0.000 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.856 0.750 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.472 1.391 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.511 -1.896 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.915 -2.520 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.008 -0.968 1.508 1.00 0.00 H new ATOM 385 N ARG A 27 -2.036 1.945 6.338 1.00 0.00 N ATOM 386 CA ARG A 27 -3.140 2.502 7.113 1.00 0.00 C ATOM 387 C ARG A 27 -3.819 3.632 6.349 1.00 0.00 C ATOM 388 O ARG A 27 -3.153 4.498 5.784 1.00 0.00 O ATOM 389 CB ARG A 27 -2.637 3.018 8.462 1.00 0.00 C ATOM 390 CG ARG A 27 -2.076 1.928 9.357 1.00 0.00 C ATOM 391 CD ARG A 27 -1.730 2.465 10.734 1.00 0.00 C ATOM 392 NE ARG A 27 -0.714 3.512 10.676 1.00 0.00 N ATOM 393 CZ ARG A 27 -0.241 4.142 11.748 1.00 0.00 C ATOM 394 NH1 ARG A 27 -0.689 3.828 12.957 1.00 0.00 N ATOM 395 NH2 ARG A 27 0.681 5.084 11.613 1.00 0.00 N ATOM 0 H ARG A 27 -1.541 2.625 5.761 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.868 1.709 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.866 3.769 8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.457 3.516 8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.804 1.122 9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.185 1.500 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.630 2.860 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.373 1.649 11.362 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.346 3.775 9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.397 3.102 13.066 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.325 4.312 13.777 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.029 5.327 10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.042 5.566 12.436 1.00 0.00 H new ATOM 409 N GLY A 28 -5.148 3.613 6.333 1.00 0.00 N ATOM 410 CA GLY A 28 -5.895 4.640 5.629 1.00 0.00 C ATOM 411 C GLY A 28 -7.377 4.600 5.943 1.00 0.00 C ATOM 412 O GLY A 28 -7.768 4.520 7.106 1.00 0.00 O ATOM 0 H GLY A 28 -5.721 2.906 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.497 5.620 5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.751 4.517 4.555 1.00 0.00 H new ATOM 416 N GLU A 29 -8.203 4.659 4.902 1.00 0.00 N ATOM 417 CA GLU A 29 -9.652 4.634 5.070 1.00 0.00 C ATOM 418 C GLU A 29 -10.334 3.906 3.912 1.00 0.00 C ATOM 419 O GLU A 29 -10.037 4.159 2.744 1.00 0.00 O ATOM 420 CB GLU A 29 -10.197 6.063 5.171 1.00 0.00 C ATOM 421 CG GLU A 29 -9.739 6.811 6.414 1.00 0.00 C ATOM 422 CD GLU A 29 -10.283 6.208 7.694 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.521 6.111 7.825 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.472 5.835 8.568 1.00 0.00 O ATOM 0 H GLU A 29 -7.893 4.725 3.933 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.871 4.094 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.888 6.622 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.286 6.027 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.650 6.811 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.056 7.852 6.344 1.00 0.00 H new ATOM 431 N ASN A 30 -11.256 3.009 4.255 1.00 0.00 N ATOM 432 CA ASN A 30 -12.006 2.240 3.263 1.00 0.00 C ATOM 433 C ASN A 30 -11.090 1.408 2.364 1.00 0.00 C ATOM 434 O ASN A 30 -11.291 1.347 1.151 1.00 0.00 O ATOM 435 CB ASN A 30 -12.867 3.173 2.408 1.00 0.00 C ATOM 436 CG ASN A 30 -13.875 3.946 3.233 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.739 3.362 3.888 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.770 5.271 3.206 1.00 0.00 N ATOM 0 H ASN A 30 -11.503 2.795 5.221 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.648 1.549 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.222 3.874 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.392 2.588 1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.421 5.845 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.039 5.713 2.649 1.00 0.00 H new ATOM 445 N LEU A 31 -10.098 0.755 2.962 1.00 0.00 N ATOM 446 CA LEU A 31 -9.175 -0.087 2.202 1.00 0.00 C ATOM 447 C LEU A 31 -9.767 -1.477 1.978 1.00 0.00 C ATOM 448 O LEU A 31 -9.103 -2.491 2.202 1.00 0.00 O ATOM 449 CB LEU A 31 -7.822 -0.196 2.913 1.00 0.00 C ATOM 450 CG LEU A 31 -6.878 0.993 2.714 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.504 2.277 3.233 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.547 0.735 3.403 1.00 0.00 C ATOM 0 H LEU A 31 -9.912 0.791 3.964 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.018 0.383 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.001 -0.321 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.320 -1.099 2.566 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.701 1.110 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.813 3.106 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.431 2.473 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.717 2.174 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.887 1.590 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.712 0.588 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.086 -0.158 2.981 1.00 0.00 H new ATOM 464 N GLY A 32 -11.021 -1.515 1.537 1.00 0.00 N ATOM 465 CA GLY A 32 -11.690 -2.781 1.290 1.00 0.00 C ATOM 466 C GLY A 32 -12.031 -3.517 2.570 1.00 0.00 C ATOM 467 O GLY A 32 -11.161 -3.769 3.403 1.00 0.00 O ATOM 0 H GLY A 32 -11.588 -0.689 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.604 -2.601 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.051 -3.411 0.672 1.00 0.00 H new ATOM 471 N THR A 33 -13.307 -3.862 2.726 1.00 0.00 N ATOM 472 CA THR A 33 -13.771 -4.573 3.912 1.00 0.00 C ATOM 473 C THR A 33 -13.744 -6.084 3.696 1.00 0.00 C ATOM 474 O THR A 33 -14.681 -6.789 4.075 1.00 0.00 O ATOM 475 CB THR A 33 -15.201 -4.145 4.295 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.109 -4.472 3.237 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.262 -2.651 4.576 1.00 0.00 C ATOM 0 H THR A 33 -14.038 -3.660 2.044 1.00 0.00 H new ATOM 0 HA THR A 33 -13.091 -4.315 4.723 1.00 0.00 H new ATOM 0 HB THR A 33 -15.487 -4.681 5.200 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.016 -4.199 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.281 -2.373 4.844 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.591 -2.408 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.958 -2.101 3.686 1.00 0.00 H new ATOM 485 N GLY A 34 -12.672 -6.576 3.085 1.00 0.00 N ATOM 486 CA GLY A 34 -12.555 -8.001 2.832 1.00 0.00 C ATOM 487 C GLY A 34 -11.347 -8.349 1.980 1.00 0.00 C ATOM 488 O GLY A 34 -10.980 -7.587 1.086 1.00 0.00 O ATOM 0 H GLY A 34 -11.884 -6.016 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.488 -8.530 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.459 -8.353 2.334 1.00 0.00 H new ATOM 492 N PRO A 35 -10.703 -9.503 2.235 1.00 0.00 N ATOM 493 CA PRO A 35 -9.529 -9.939 1.474 1.00 0.00 C ATOM 494 C PRO A 35 -9.793 -9.962 -0.028 1.00 0.00 C ATOM 495 O PRO A 35 -8.960 -9.526 -0.822 1.00 0.00 O ATOM 496 CB PRO A 35 -9.255 -11.360 1.990 1.00 0.00 C ATOM 497 CG PRO A 35 -10.477 -11.752 2.753 1.00 0.00 C ATOM 498 CD PRO A 35 -11.067 -10.476 3.276 1.00 0.00 C ATOM 0 HA PRO A 35 -8.688 -9.260 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.070 -12.048 1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.371 -11.382 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.186 -12.275 2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.226 -12.429 3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.147 -10.550 3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.652 -10.205 4.247 1.00 0.00 H new ATOM 506 N THR A 36 -10.963 -10.466 -0.407 1.00 0.00 N ATOM 507 CA THR A 36 -11.344 -10.540 -1.812 1.00 0.00 C ATOM 508 C THR A 36 -11.397 -9.149 -2.437 1.00 0.00 C ATOM 509 O THR A 36 -11.033 -8.966 -3.599 1.00 0.00 O ATOM 510 CB THR A 36 -12.712 -11.226 -1.993 1.00 0.00 C ATOM 511 OG1 THR A 36 -13.086 -11.215 -3.375 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.783 -10.531 -1.165 1.00 0.00 C ATOM 0 H THR A 36 -11.663 -10.829 0.240 1.00 0.00 H new ATOM 0 HA THR A 36 -10.582 -11.136 -2.315 1.00 0.00 H new ATOM 0 HB THR A 36 -12.624 -12.257 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.956 -11.654 -3.482 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.739 -11.034 -1.310 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.509 -10.569 -0.111 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.869 -9.491 -1.480 1.00 0.00 H new ATOM 520 N ASP A 37 -11.856 -8.174 -1.657 1.00 0.00 N ATOM 521 CA ASP A 37 -11.961 -6.796 -2.129 1.00 0.00 C ATOM 522 C ASP A 37 -10.619 -6.288 -2.646 1.00 0.00 C ATOM 523 O ASP A 37 -10.562 -5.563 -3.639 1.00 0.00 O ATOM 524 CB ASP A 37 -12.465 -5.889 -1.006 1.00 0.00 C ATOM 525 CG ASP A 37 -13.837 -6.296 -0.506 1.00 0.00 C ATOM 526 OD1 ASP A 37 -13.980 -7.442 -0.029 1.00 0.00 O ATOM 527 OD2 ASP A 37 -14.769 -5.468 -0.590 1.00 0.00 O ATOM 0 H ASP A 37 -12.162 -8.313 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.674 -6.776 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.757 -5.914 -0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.502 -4.860 -1.363 1.00 0.00 H new ATOM 532 N LEU A 38 -9.543 -6.671 -1.963 1.00 0.00 N ATOM 533 CA LEU A 38 -8.196 -6.258 -2.349 1.00 0.00 C ATOM 534 C LEU A 38 -7.708 -7.052 -3.560 1.00 0.00 C ATOM 535 O LEU A 38 -6.701 -7.759 -3.493 1.00 0.00 O ATOM 536 CB LEU A 38 -7.232 -6.433 -1.171 1.00 0.00 C ATOM 537 CG LEU A 38 -5.799 -5.950 -1.418 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.783 -4.468 -1.761 1.00 0.00 C ATOM 539 CD2 LEU A 38 -4.931 -6.225 -0.198 1.00 0.00 C ATOM 0 H LEU A 38 -9.578 -7.268 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.226 -5.204 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.635 -5.898 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.200 -7.489 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.391 -6.500 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.756 -4.145 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.373 -4.297 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.209 -3.899 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.916 -5.877 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.340 -5.699 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.915 -7.296 0.003 1.00 0.00 H new ATOM 551 N ILE A 39 -8.432 -6.934 -4.669 1.00 0.00 N ATOM 552 CA ILE A 39 -8.078 -7.639 -5.895 1.00 0.00 C ATOM 553 C ILE A 39 -6.798 -7.081 -6.505 1.00 0.00 C ATOM 554 O ILE A 39 -5.961 -7.831 -7.007 1.00 0.00 O ATOM 555 CB ILE A 39 -9.210 -7.562 -6.939 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.634 -6.106 -7.161 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.393 -8.411 -6.498 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.705 -5.936 -8.219 1.00 0.00 C ATOM 0 H ILE A 39 -9.269 -6.355 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.919 -8.682 -5.621 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.841 -7.956 -7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.998 -5.696 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.759 -5.522 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.185 -8.347 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.077 -9.449 -6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.766 -8.046 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.953 -4.879 -8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.338 -6.315 -9.173 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.596 -6.491 -7.927 1.00 0.00 H new ATOM 570 N GLY A 40 -6.656 -5.760 -6.467 1.00 0.00 N ATOM 571 CA GLY A 40 -5.477 -5.126 -7.026 1.00 0.00 C ATOM 572 C GLY A 40 -4.693 -4.332 -6.001 1.00 0.00 C ATOM 573 O GLY A 40 -5.271 -3.625 -5.176 1.00 0.00 O ATOM 0 H GLY A 40 -7.336 -5.118 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.831 -5.890 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.777 -4.464 -7.839 1.00 0.00 H new ATOM 577 N LEU A 41 -3.370 -4.446 -6.058 1.00 0.00 N ATOM 578 CA LEU A 41 -2.494 -3.733 -5.137 1.00 0.00 C ATOM 579 C LEU A 41 -1.166 -3.426 -5.819 1.00 0.00 C ATOM 580 O LEU A 41 -0.526 -4.321 -6.373 1.00 0.00 O ATOM 581 CB LEU A 41 -2.274 -4.567 -3.864 1.00 0.00 C ATOM 582 CG LEU A 41 -1.555 -3.859 -2.705 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.086 -3.626 -3.024 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.243 -2.541 -2.375 1.00 0.00 C ATOM 0 H LEU A 41 -2.880 -5.029 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.963 -2.791 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.245 -4.909 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.701 -5.455 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.609 -4.510 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.393 -3.123 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.404 -4.583 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.001 -3.004 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.720 -2.054 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.226 -1.892 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.276 -2.732 -2.086 1.00 0.00 H new ATOM 596 N THR A 42 -0.759 -2.159 -5.781 1.00 0.00 N ATOM 597 CA THR A 42 0.492 -1.738 -6.407 1.00 0.00 C ATOM 598 C THR A 42 1.094 -0.529 -5.702 1.00 0.00 C ATOM 599 O THR A 42 0.392 0.427 -5.373 1.00 0.00 O ATOM 600 CB THR A 42 0.290 -1.372 -7.892 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.760 -0.406 -8.019 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.037 -2.599 -8.728 1.00 0.00 C ATOM 0 H THR A 42 -1.276 -1.408 -5.324 1.00 0.00 H new ATOM 0 HA THR A 42 1.170 -2.588 -6.325 1.00 0.00 H new ATOM 0 HB THR A 42 1.224 -0.949 -8.262 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.881 -0.177 -8.964 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.173 -2.305 -9.769 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.781 -3.316 -8.658 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.954 -3.058 -8.358 1.00 0.00 H new ATOM 610 N ILE A 43 2.408 -0.570 -5.495 1.00 0.00 N ATOM 611 CA ILE A 43 3.117 0.527 -4.855 1.00 0.00 C ATOM 612 C ILE A 43 3.954 1.276 -5.886 1.00 0.00 C ATOM 613 O ILE A 43 4.989 0.783 -6.335 1.00 0.00 O ATOM 614 CB ILE A 43 4.035 0.023 -3.721 1.00 0.00 C ATOM 615 CG1 ILE A 43 3.234 -0.751 -2.680 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.746 1.176 -3.053 1.00 0.00 C ATOM 617 CD1 ILE A 43 2.120 0.047 -2.036 1.00 0.00 C ATOM 0 H ILE A 43 3.002 -1.355 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 43 2.373 1.195 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 43 4.776 -0.641 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.806 -1.636 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.912 -1.100 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.387 0.796 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.354 1.704 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.011 1.861 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.600 -0.576 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.540 0.918 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.417 0.374 -2.802 1.00 0.00 H new ATOM 629 N CYS A 44 3.490 2.461 -6.265 1.00 0.00 N ATOM 630 CA CYS A 44 4.183 3.279 -7.253 1.00 0.00 C ATOM 631 C CYS A 44 4.335 2.521 -8.573 1.00 0.00 C ATOM 632 O CYS A 44 5.404 2.527 -9.186 1.00 0.00 O ATOM 633 CB CYS A 44 5.556 3.709 -6.731 1.00 0.00 C ATOM 634 SG CYS A 44 6.402 4.910 -7.787 1.00 0.00 S ATOM 0 H CYS A 44 2.633 2.878 -5.901 1.00 0.00 H new ATOM 0 HA CYS A 44 3.583 4.171 -7.432 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.437 4.136 -5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.186 2.826 -6.626 1.00 0.00 H new ATOM 0 HG CYS A 44 6.357 4.509 -9.023 1.00 0.00 H new ATOM 640 N GLY A 45 3.254 1.877 -9.011 1.00 0.00 N ATOM 641 CA GLY A 45 3.287 1.135 -10.260 1.00 0.00 C ATOM 642 C GLY A 45 3.652 -0.330 -10.087 1.00 0.00 C ATOM 643 O GLY A 45 3.102 -1.193 -10.770 1.00 0.00 O ATOM 0 H GLY A 45 2.358 1.856 -8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.311 1.203 -10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.006 1.603 -10.932 1.00 0.00 H new ATOM 647 N HIS A 46 4.588 -0.615 -9.185 1.00 0.00 N ATOM 648 CA HIS A 46 5.026 -1.988 -8.948 1.00 0.00 C ATOM 649 C HIS A 46 3.920 -2.814 -8.297 1.00 0.00 C ATOM 650 O HIS A 46 3.343 -2.407 -7.291 1.00 0.00 O ATOM 651 CB HIS A 46 6.273 -2.001 -8.061 1.00 0.00 C ATOM 652 CG HIS A 46 6.880 -3.360 -7.899 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.383 -4.090 -8.957 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.068 -4.123 -6.796 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.853 -5.242 -8.511 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.674 -5.285 -7.204 1.00 0.00 N ATOM 0 H HIS A 46 5.056 0.084 -8.608 1.00 0.00 H new ATOM 0 HA HIS A 46 5.266 -2.434 -9.913 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.018 -1.328 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.013 -1.609 -7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.792 -3.865 -5.784 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.306 -6.016 -9.113 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.943 -6.058 -6.595 1.00 0.00 H new ATOM 665 N ASN A 47 3.630 -3.977 -8.873 1.00 0.00 N ATOM 666 CA ASN A 47 2.593 -4.854 -8.336 1.00 0.00 C ATOM 667 C ASN A 47 3.074 -5.534 -7.057 1.00 0.00 C ATOM 668 O ASN A 47 4.234 -5.934 -6.955 1.00 0.00 O ATOM 669 CB ASN A 47 2.185 -5.909 -9.367 1.00 0.00 C ATOM 670 CG ASN A 47 3.281 -6.919 -9.634 1.00 0.00 C ATOM 671 OD1 ASN A 47 4.376 -6.566 -10.073 1.00 0.00 O ATOM 672 ND2 ASN A 47 2.989 -8.188 -9.372 1.00 0.00 N ATOM 0 H ASN A 47 4.096 -4.333 -9.708 1.00 0.00 H new ATOM 0 HA ASN A 47 1.723 -4.241 -8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.294 -6.430 -9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.917 -5.414 -10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.685 -8.915 -9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.068 -8.435 -9.009 1.00 0.00 H new ATOM 679 N CYS A 48 2.176 -5.661 -6.085 1.00 0.00 N ATOM 680 CA CYS A 48 2.510 -6.292 -4.812 1.00 0.00 C ATOM 681 C CYS A 48 1.283 -6.964 -4.203 1.00 0.00 C ATOM 682 O CYS A 48 1.064 -6.903 -2.992 1.00 0.00 O ATOM 683 CB CYS A 48 3.073 -5.256 -3.835 1.00 0.00 C ATOM 684 SG CYS A 48 4.597 -4.459 -4.393 1.00 0.00 S ATOM 0 H CYS A 48 1.212 -5.336 -6.154 1.00 0.00 H new ATOM 0 HA CYS A 48 3.267 -7.053 -5.000 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.318 -4.489 -3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.260 -5.741 -2.877 1.00 0.00 H new ATOM 0 HG CYS A 48 4.906 -4.895 -5.578 1.00 0.00 H new ATOM 690 N LEU A 49 0.487 -7.603 -5.052 1.00 0.00 N ATOM 691 CA LEU A 49 -0.721 -8.290 -4.606 1.00 0.00 C ATOM 692 C LEU A 49 -0.381 -9.575 -3.857 1.00 0.00 C ATOM 693 O LEU A 49 -0.898 -9.826 -2.767 1.00 0.00 O ATOM 694 CB LEU A 49 -1.612 -8.611 -5.808 1.00 0.00 C ATOM 695 CG LEU A 49 -2.900 -9.369 -5.482 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.821 -8.514 -4.625 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.601 -9.797 -6.762 1.00 0.00 C ATOM 0 H LEU A 49 0.656 -7.660 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.254 -7.628 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.875 -7.677 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.034 -9.199 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.641 -10.264 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.732 -9.070 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.317 -8.257 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.075 -7.601 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.516 -10.335 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.848 -8.916 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.942 -10.447 -7.338 1.00 0.00 H new ATOM 709 N LEU A 50 0.482 -10.390 -4.457 1.00 0.00 N ATOM 710 CA LEU A 50 0.890 -11.661 -3.864 1.00 0.00 C ATOM 711 C LEU A 50 1.425 -11.471 -2.446 1.00 0.00 C ATOM 712 O LEU A 50 1.163 -12.286 -1.562 1.00 0.00 O ATOM 713 CB LEU A 50 1.950 -12.354 -4.734 1.00 0.00 C ATOM 714 CG LEU A 50 3.319 -11.665 -4.804 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.346 -12.593 -5.437 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.238 -10.365 -5.591 1.00 0.00 C ATOM 0 H LEU A 50 0.915 -10.192 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 50 0.004 -12.294 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.094 -13.367 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.558 -12.443 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 50 3.630 -11.430 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.312 -12.091 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.435 -13.500 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.027 -12.854 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.222 -9.898 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.901 -10.575 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.532 -9.690 -5.107 1.00 0.00 H new ATOM 728 N THR A 51 2.181 -10.398 -2.237 1.00 0.00 N ATOM 729 CA THR A 51 2.757 -10.113 -0.927 1.00 0.00 C ATOM 730 C THR A 51 1.736 -9.469 0.007 1.00 0.00 C ATOM 731 O THR A 51 1.714 -9.754 1.205 1.00 0.00 O ATOM 732 CB THR A 51 3.985 -9.188 -1.042 1.00 0.00 C ATOM 733 OG1 THR A 51 3.610 -7.951 -1.659 1.00 0.00 O ATOM 734 CG2 THR A 51 5.089 -9.851 -1.854 1.00 0.00 C ATOM 0 H THR A 51 2.409 -9.712 -2.957 1.00 0.00 H new ATOM 0 HA THR A 51 3.067 -11.071 -0.509 1.00 0.00 H new ATOM 0 HB THR A 51 4.361 -8.994 -0.038 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.255 -7.341 -0.979 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.945 -9.179 -1.921 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.393 -10.778 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.721 -10.072 -2.856 1.00 0.00 H new ATOM 742 N ALA A 52 0.899 -8.594 -0.543 1.00 0.00 N ATOM 743 CA ALA A 52 -0.116 -7.906 0.249 1.00 0.00 C ATOM 744 C ALA A 52 -1.118 -8.884 0.853 1.00 0.00 C ATOM 745 O ALA A 52 -1.670 -9.735 0.154 1.00 0.00 O ATOM 746 CB ALA A 52 -0.838 -6.871 -0.601 1.00 0.00 C ATOM 0 H ALA A 52 0.903 -8.345 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 52 0.393 -7.402 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.592 -6.366 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.120 -6.139 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.320 -7.365 -1.444 1.00 0.00 H new ATOM 752 N GLU A 53 -1.355 -8.746 2.154 1.00 0.00 N ATOM 753 CA GLU A 53 -2.298 -9.606 2.858 1.00 0.00 C ATOM 754 C GLU A 53 -3.325 -8.770 3.615 1.00 0.00 C ATOM 755 O GLU A 53 -2.971 -7.843 4.343 1.00 0.00 O ATOM 756 CB GLU A 53 -1.556 -10.529 3.827 1.00 0.00 C ATOM 757 CG GLU A 53 -2.469 -11.479 4.589 1.00 0.00 C ATOM 758 CD GLU A 53 -3.189 -12.464 3.685 1.00 0.00 C ATOM 759 OE1 GLU A 53 -2.935 -12.448 2.462 1.00 0.00 O ATOM 760 OE2 GLU A 53 -4.004 -13.255 4.203 1.00 0.00 O ATOM 0 H GLU A 53 -0.905 -8.045 2.743 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.821 -10.216 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.823 -11.113 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.002 -9.921 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.880 -12.031 5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.206 -10.899 5.144 1.00 0.00 H new ATOM 767 N TRP A 54 -4.598 -9.106 3.438 1.00 0.00 N ATOM 768 CA TRP A 54 -5.679 -8.388 4.102 1.00 0.00 C ATOM 769 C TRP A 54 -5.620 -8.588 5.614 1.00 0.00 C ATOM 770 O TRP A 54 -5.176 -9.631 6.094 1.00 0.00 O ATOM 771 CB TRP A 54 -7.034 -8.861 3.577 1.00 0.00 C ATOM 772 CG TRP A 54 -8.185 -8.068 4.116 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.691 -6.907 3.607 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.955 -8.364 5.287 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.743 -6.474 4.378 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.922 -7.349 5.417 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.925 -9.391 6.234 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.848 -7.334 6.457 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.843 -9.373 7.267 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.794 -8.350 7.371 1.00 0.00 C ATOM 0 H TRP A 54 -4.907 -9.872 2.839 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.558 -7.327 3.884 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.036 -8.799 2.489 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.171 -9.911 3.837 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.319 -6.403 2.727 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.300 -5.637 4.205 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.197 -10.185 6.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.583 -6.547 6.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.827 -10.160 8.006 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.499 -8.364 8.189 1.00 0.00 H new ATOM 791 N MET A 55 -6.079 -7.585 6.357 1.00 0.00 N ATOM 792 CA MET A 55 -6.087 -7.652 7.815 1.00 0.00 C ATOM 793 C MET A 55 -7.342 -6.993 8.380 1.00 0.00 C ATOM 794 O MET A 55 -7.969 -7.519 9.300 1.00 0.00 O ATOM 795 CB MET A 55 -4.844 -6.974 8.393 1.00 0.00 C ATOM 796 CG MET A 55 -3.536 -7.627 7.972 1.00 0.00 C ATOM 797 SD MET A 55 -3.404 -9.339 8.520 1.00 0.00 S ATOM 798 CE MET A 55 -3.481 -9.135 10.297 1.00 0.00 C ATOM 0 H MET A 55 -6.450 -6.716 5.973 1.00 0.00 H new ATOM 0 HA MET A 55 -6.082 -8.704 8.101 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.834 -5.929 8.082 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.910 -6.983 9.481 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.449 -7.590 6.886 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.702 -7.055 8.378 1.00 0.00 H new ATOM 0 HE1 MET A 55 -3.083 -10.026 10.783 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.890 -8.267 10.590 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.517 -8.988 10.602 1.00 0.00 H new ATOM 808 N SER A 56 -7.705 -5.840 7.822 1.00 0.00 N ATOM 809 CA SER A 56 -8.885 -5.108 8.270 1.00 0.00 C ATOM 810 C SER A 56 -9.201 -3.956 7.323 1.00 0.00 C ATOM 811 O SER A 56 -8.440 -3.672 6.398 1.00 0.00 O ATOM 812 CB SER A 56 -8.675 -4.569 9.686 1.00 0.00 C ATOM 813 OG SER A 56 -9.844 -3.929 10.166 1.00 0.00 O ATOM 0 H SER A 56 -7.198 -5.393 7.058 1.00 0.00 H new ATOM 0 HA SER A 56 -9.727 -5.800 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.404 -5.387 10.354 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.843 -3.865 9.691 1.00 0.00 H new ATOM 0 HG SER A 56 -9.685 -3.595 11.073 1.00 0.00 H new ATOM 819 N ALA A 57 -10.330 -3.294 7.563 1.00 0.00 N ATOM 820 CA ALA A 57 -10.751 -2.170 6.734 1.00 0.00 C ATOM 821 C ALA A 57 -9.993 -0.896 7.101 1.00 0.00 C ATOM 822 O ALA A 57 -10.537 0.206 7.014 1.00 0.00 O ATOM 823 CB ALA A 57 -12.251 -1.953 6.869 1.00 0.00 C ATOM 0 H ALA A 57 -10.970 -3.517 8.326 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.519 -2.409 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.554 -1.112 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.779 -2.851 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.496 -1.741 7.910 1.00 0.00 H new ATOM 829 N SER A 58 -8.733 -1.054 7.504 1.00 0.00 N ATOM 830 CA SER A 58 -7.894 0.081 7.880 1.00 0.00 C ATOM 831 C SER A 58 -6.496 -0.390 8.265 1.00 0.00 C ATOM 832 O SER A 58 -5.778 0.291 8.998 1.00 0.00 O ATOM 833 CB SER A 58 -8.519 0.849 9.047 1.00 0.00 C ATOM 834 OG SER A 58 -8.663 0.019 10.186 1.00 0.00 O ATOM 0 H SER A 58 -8.270 -1.960 7.578 1.00 0.00 H new ATOM 0 HA SER A 58 -7.819 0.745 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.896 1.708 9.296 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.494 1.237 8.751 1.00 0.00 H new ATOM 0 HG SER A 58 -9.063 0.534 10.918 1.00 0.00 H new ATOM 840 N LYS A 59 -6.114 -1.559 7.759 1.00 0.00 N ATOM 841 CA LYS A 59 -4.800 -2.125 8.042 1.00 0.00 C ATOM 842 C LYS A 59 -4.485 -3.265 7.081 1.00 0.00 C ATOM 843 O LYS A 59 -5.303 -4.165 6.884 1.00 0.00 O ATOM 844 CB LYS A 59 -4.735 -2.624 9.488 1.00 0.00 C ATOM 845 CG LYS A 59 -3.392 -3.233 9.862 1.00 0.00 C ATOM 846 CD LYS A 59 -3.374 -3.702 11.308 1.00 0.00 C ATOM 847 CE LYS A 59 -2.042 -4.342 11.667 1.00 0.00 C ATOM 848 NZ LYS A 59 -2.006 -4.794 13.086 1.00 0.00 N ATOM 0 H LYS A 59 -6.697 -2.133 7.150 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.055 -1.341 7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.948 -1.793 10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.517 -3.367 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.177 -4.074 9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.603 -2.498 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.563 -2.856 11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.179 -4.419 11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.860 -5.193 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.238 -3.627 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.081 -5.224 13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.154 -3.978 13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.757 -5.495 13.246 1.00 0.00 H new ATOM 862 N ILE A 60 -3.293 -3.228 6.490 1.00 0.00 N ATOM 863 CA ILE A 60 -2.869 -4.263 5.553 1.00 0.00 C ATOM 864 C ILE A 60 -1.357 -4.453 5.596 1.00 0.00 C ATOM 865 O ILE A 60 -0.597 -3.524 5.325 1.00 0.00 O ATOM 866 CB ILE A 60 -3.281 -3.924 4.101 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.804 -3.823 3.979 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.734 -4.968 3.136 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.278 -3.433 2.594 1.00 0.00 C ATOM 0 H ILE A 60 -2.604 -2.492 6.644 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.367 -5.183 5.860 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.854 -2.955 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.246 -4.782 4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.170 -3.090 4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.033 -4.715 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.646 -4.988 3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.131 -5.949 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.367 -3.381 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.866 -2.459 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.943 -4.178 1.872 1.00 0.00 H new ATOM 881 N VAL A 61 -0.927 -5.667 5.924 1.00 0.00 N ATOM 882 CA VAL A 61 0.494 -5.982 5.985 1.00 0.00 C ATOM 883 C VAL A 61 1.033 -6.283 4.593 1.00 0.00 C ATOM 884 O VAL A 61 0.494 -7.131 3.881 1.00 0.00 O ATOM 885 CB VAL A 61 0.767 -7.187 6.907 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.257 -7.493 6.967 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.214 -6.927 8.299 1.00 0.00 C ATOM 0 H VAL A 61 -1.543 -6.448 6.151 1.00 0.00 H new ATOM 0 HA VAL A 61 1.002 -5.109 6.394 1.00 0.00 H new ATOM 0 HB VAL A 61 0.259 -8.058 6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.427 -8.347 7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.621 -7.726 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.791 -6.626 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.415 -7.788 8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.692 -6.043 8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.862 -6.764 8.238 1.00 0.00 H new ATOM 897 N CYS A 62 2.093 -5.584 4.205 1.00 0.00 N ATOM 898 CA CYS A 62 2.693 -5.781 2.890 1.00 0.00 C ATOM 899 C CYS A 62 4.010 -5.030 2.770 1.00 0.00 C ATOM 900 O CYS A 62 4.198 -3.978 3.381 1.00 0.00 O ATOM 901 CB CYS A 62 1.739 -5.316 1.791 1.00 0.00 C ATOM 902 SG CYS A 62 2.376 -5.553 0.115 1.00 0.00 S ATOM 0 H CYS A 62 2.554 -4.878 4.779 1.00 0.00 H new ATOM 0 HA CYS A 62 2.887 -6.847 2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.797 -5.855 1.890 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.519 -4.259 1.939 1.00 0.00 H new ATOM 0 HG CYS A 62 3.509 -4.929 -0.011 1.00 0.00 H new ATOM 908 N ARG A 63 4.914 -5.574 1.966 1.00 0.00 N ATOM 909 CA ARG A 63 6.213 -4.954 1.747 1.00 0.00 C ATOM 910 C ARG A 63 6.117 -3.897 0.653 1.00 0.00 C ATOM 911 O ARG A 63 5.556 -4.146 -0.414 1.00 0.00 O ATOM 912 CB ARG A 63 7.248 -6.014 1.368 1.00 0.00 C ATOM 913 CG ARG A 63 7.446 -7.075 2.438 1.00 0.00 C ATOM 914 CD ARG A 63 8.462 -8.120 2.008 1.00 0.00 C ATOM 915 NE ARG A 63 8.062 -8.799 0.779 1.00 0.00 N ATOM 916 CZ ARG A 63 8.769 -9.774 0.214 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.900 -10.186 0.770 1.00 0.00 N ATOM 918 NH2 ARG A 63 8.342 -10.338 -0.908 1.00 0.00 N ATOM 0 H ARG A 63 4.771 -6.445 1.454 1.00 0.00 H new ATOM 0 HA ARG A 63 6.529 -4.471 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.940 -6.497 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.202 -5.525 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.778 -6.603 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.493 -7.559 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.431 -7.644 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.586 -8.854 2.804 1.00 0.00 H new ATOM 0 HE ARG A 63 7.193 -8.510 0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.230 -9.755 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.440 -10.934 0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.472 -10.024 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.884 -11.086 -1.341 1.00 0.00 H new ATOM 932 N VAL A 64 6.657 -2.715 0.930 1.00 0.00 N ATOM 933 CA VAL A 64 6.625 -1.615 -0.025 1.00 0.00 C ATOM 934 C VAL A 64 7.261 -2.008 -1.355 1.00 0.00 C ATOM 935 O VAL A 64 8.311 -2.647 -1.392 1.00 0.00 O ATOM 936 CB VAL A 64 7.336 -0.366 0.535 1.00 0.00 C ATOM 937 CG1 VAL A 64 8.751 -0.705 0.975 1.00 0.00 C ATOM 938 CG2 VAL A 64 7.346 0.755 -0.493 1.00 0.00 C ATOM 0 H VAL A 64 7.123 -2.495 1.810 1.00 0.00 H new ATOM 0 HA VAL A 64 5.575 -1.378 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 64 6.781 -0.022 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.234 0.190 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.717 -1.469 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.317 -1.080 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.852 1.626 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.872 0.423 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.321 1.021 -0.752 1.00 0.00 H new ATOM 1052 N GLY A 72 6.313 7.653 -4.555 1.00 0.00 N ATOM 1053 CA GLY A 72 6.022 6.359 -3.961 1.00 0.00 C ATOM 1054 C GLY A 72 4.624 6.270 -3.377 1.00 0.00 C ATOM 1055 O GLY A 72 4.449 5.809 -2.250 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.143 5.584 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.750 6.155 -3.176 1.00 0.00 H new ATOM 1059 N ASP A 73 3.627 6.706 -4.142 1.00 0.00 N ATOM 1060 CA ASP A 73 2.241 6.665 -3.684 1.00 0.00 C ATOM 1061 C ASP A 73 1.775 5.226 -3.475 1.00 0.00 C ATOM 1062 O ASP A 73 1.983 4.366 -4.331 1.00 0.00 O ATOM 1063 CB ASP A 73 1.323 7.364 -4.690 1.00 0.00 C ATOM 1064 CG ASP A 73 1.605 8.848 -4.796 1.00 0.00 C ATOM 1065 OD1 ASP A 73 1.469 9.551 -3.773 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.961 9.307 -5.902 1.00 0.00 O ATOM 0 H ASP A 73 3.752 7.090 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 73 2.190 7.189 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.445 6.903 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.284 7.215 -4.395 1.00 0.00 H new ATOM 1071 N ILE A 74 1.142 4.973 -2.332 1.00 0.00 N ATOM 1072 CA ILE A 74 0.642 3.639 -2.015 1.00 0.00 C ATOM 1073 C ILE A 74 -0.746 3.424 -2.612 1.00 0.00 C ATOM 1074 O ILE A 74 -1.759 3.754 -1.994 1.00 0.00 O ATOM 1075 CB ILE A 74 0.586 3.411 -0.490 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.988 3.537 0.114 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.018 2.049 -0.173 1.00 0.00 C ATOM 1078 CD1 ILE A 74 2.024 3.356 1.617 1.00 0.00 C ATOM 0 H ILE A 74 0.964 5.673 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 74 1.335 2.920 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.052 4.175 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.640 2.796 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.394 4.518 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.049 1.907 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.030 1.997 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.592 1.267 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.050 3.459 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.399 4.114 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.649 2.365 1.873 1.00 0.00 H new ATOM 1090 N ILE A 75 -0.785 2.871 -3.820 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.045 2.611 -4.505 1.00 0.00 C ATOM 1092 C ILE A 75 -2.688 1.321 -4.006 1.00 0.00 C ATOM 1093 O ILE A 75 -2.005 0.318 -3.797 1.00 0.00 O ATOM 1094 CB ILE A 75 -1.847 2.511 -6.032 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.117 3.750 -6.563 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.188 2.339 -6.731 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -1.814 5.058 -6.252 1.00 0.00 C ATOM 0 H ILE A 75 0.044 2.594 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.702 3.452 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.233 1.636 -6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.113 3.776 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.006 3.658 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.031 2.270 -7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.669 1.428 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.825 3.196 -6.511 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.234 5.885 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.808 5.056 -6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.902 5.176 -5.172 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.006 1.351 -3.822 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.740 0.180 -3.354 1.00 0.00 C ATOM 1111 C VAL A 76 -6.090 0.065 -4.058 1.00 0.00 C ATOM 1112 O VAL A 76 -6.974 0.900 -3.866 1.00 0.00 O ATOM 1113 CB VAL A 76 -4.978 0.239 -1.831 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.706 -1.008 -1.352 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.664 0.415 -1.085 1.00 0.00 C ATOM 0 H VAL A 76 -4.586 2.173 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.130 -0.692 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.607 1.104 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.864 -0.946 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.669 -1.083 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.107 -1.889 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.857 0.454 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.005 -0.425 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.187 1.343 -1.402 1.00 0.00 H new ATOM 1125 N THR A 77 -6.245 -0.978 -4.869 1.00 0.00 N ATOM 1126 CA THR A 77 -7.488 -1.203 -5.597 1.00 0.00 C ATOM 1127 C THR A 77 -8.498 -1.943 -4.725 1.00 0.00 C ATOM 1128 O THR A 77 -8.133 -2.828 -3.952 1.00 0.00 O ATOM 1129 CB THR A 77 -7.248 -2.005 -6.890 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.276 -1.339 -7.706 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.542 -2.169 -7.676 1.00 0.00 C ATOM 0 H THR A 77 -5.525 -1.680 -5.038 1.00 0.00 H new ATOM 0 HA THR A 77 -7.886 -0.224 -5.863 1.00 0.00 H new ATOM 0 HB THR A 77 -6.880 -2.993 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.127 -1.856 -8.525 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.346 -2.739 -8.584 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.274 -2.699 -7.066 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.934 -1.187 -7.941 1.00 0.00 H new ATOM 1139 N THR A 78 -9.769 -1.574 -4.851 1.00 0.00 N ATOM 1140 CA THR A 78 -10.830 -2.203 -4.071 1.00 0.00 C ATOM 1141 C THR A 78 -12.060 -2.468 -4.933 1.00 0.00 C ATOM 1142 O THR A 78 -12.479 -1.612 -5.712 1.00 0.00 O ATOM 1143 CB THR A 78 -11.237 -1.332 -2.868 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.695 -0.052 -3.321 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.070 -1.147 -1.909 1.00 0.00 C ATOM 0 H THR A 78 -10.089 -0.843 -5.486 1.00 0.00 H new ATOM 0 HA THR A 78 -10.434 -3.150 -3.704 1.00 0.00 H new ATOM 0 HB THR A 78 -12.043 -1.841 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.953 0.495 -2.550 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.384 -0.528 -1.069 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.743 -2.120 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.245 -0.660 -2.429 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.631 -3.661 -4.790 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.811 -4.045 -5.559 1.00 0.00 C ATOM 1155 C LYS A 79 -14.970 -3.090 -5.295 1.00 0.00 C ATOM 1156 O LYS A 79 -15.626 -2.624 -6.228 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.222 -5.480 -5.222 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.151 -6.507 -5.558 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.592 -7.920 -5.207 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.820 -8.342 -6.002 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.577 -8.294 -7.470 1.00 0.00 N ATOM 0 H LYS A 79 -12.295 -4.379 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.557 -3.989 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.456 -5.544 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.135 -5.726 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.917 -6.453 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.235 -6.267 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.775 -8.615 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.811 -7.978 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.108 -9.353 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.656 -7.689 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.345 -8.790 -7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.545 -7.303 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.670 -8.755 -7.687 1.00 0.00 H new ATOM 1175 N SER A 80 -15.215 -2.795 -4.022 1.00 0.00 N ATOM 1176 CA SER A 80 -16.292 -1.887 -3.646 1.00 0.00 C ATOM 1177 C SER A 80 -16.014 -0.486 -4.179 1.00 0.00 C ATOM 1178 O SER A 80 -16.848 0.111 -4.860 1.00 0.00 O ATOM 1179 CB SER A 80 -16.448 -1.848 -2.125 1.00 0.00 C ATOM 1180 OG SER A 80 -15.256 -1.405 -1.501 1.00 0.00 O ATOM 0 H SER A 80 -14.684 -3.170 -3.236 1.00 0.00 H new ATOM 0 HA SER A 80 -17.221 -2.252 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.270 -1.184 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.707 -2.841 -1.757 1.00 0.00 H new ATOM 0 HG SER A 80 -15.382 -1.387 -0.529 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.827 0.027 -3.868 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.439 1.348 -4.324 1.00 0.00 C ATOM 1188 C GLY A 81 -13.738 1.307 -5.667 1.00 0.00 C ATOM 1189 O GLY A 81 -14.301 0.834 -6.656 1.00 0.00 O ATOM 0 H GLY A 81 -14.124 -0.453 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.324 1.980 -4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.780 1.806 -3.586 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.506 1.800 -5.699 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.737 1.808 -6.930 1.00 0.00 C ATOM 1195 C GLY A 82 -10.253 1.963 -6.674 1.00 0.00 C ATOM 1196 O GLY A 82 -9.719 1.394 -5.722 1.00 0.00 O ATOM 0 H GLY A 82 -12.024 2.196 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.916 0.881 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.082 2.623 -7.567 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.582 2.738 -7.519 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.150 2.962 -7.368 1.00 0.00 C ATOM 1202 C LYS A 83 -7.874 3.767 -6.101 1.00 0.00 C ATOM 1203 O LYS A 83 -8.460 4.828 -5.887 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.594 3.679 -8.602 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.073 3.715 -8.669 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.483 4.785 -7.761 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.919 6.181 -8.180 1.00 0.00 C ATOM 1208 NZ LYS A 83 -5.495 6.500 -9.570 1.00 0.00 N ATOM 0 H LYS A 83 -10.005 3.220 -8.312 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.648 1.999 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.975 3.187 -9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.972 4.701 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.675 2.741 -8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.760 3.900 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.792 4.600 -6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.395 4.722 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.003 6.261 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.496 6.915 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.610 7.519 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.497 6.238 -9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.081 5.966 -10.243 1.00 0.00 H new ATOM 1222 N GLY A 84 -6.988 3.246 -5.258 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.658 3.917 -4.015 1.00 0.00 C ATOM 1224 C GLY A 84 -5.705 5.083 -4.196 1.00 0.00 C ATOM 1225 O GLY A 84 -4.662 4.949 -4.836 1.00 0.00 O ATOM 0 H GLY A 84 -6.492 2.369 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.576 4.276 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.213 3.197 -3.329 1.00 0.00 H new ATOM 1229 N THR A 85 -6.061 6.224 -3.614 1.00 0.00 N ATOM 1230 CA THR A 85 -5.234 7.422 -3.689 1.00 0.00 C ATOM 1231 C THR A 85 -4.584 7.705 -2.340 1.00 0.00 C ATOM 1232 O THR A 85 -5.185 7.457 -1.295 1.00 0.00 O ATOM 1233 CB THR A 85 -6.060 8.649 -4.119 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.106 8.892 -3.171 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.661 8.440 -5.500 1.00 0.00 C ATOM 0 H THR A 85 -6.923 6.343 -3.082 1.00 0.00 H new ATOM 0 HA THR A 85 -4.463 7.239 -4.438 1.00 0.00 H new ATOM 0 HB THR A 85 -5.395 9.512 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.625 9.675 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.240 9.320 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.862 8.284 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.313 7.566 -5.485 1.00 0.00 H new ATOM 1243 N SER A 86 -3.355 8.215 -2.357 1.00 0.00 N ATOM 1244 CA SER A 86 -2.649 8.512 -1.115 1.00 0.00 C ATOM 1245 C SER A 86 -1.658 9.658 -1.285 1.00 0.00 C ATOM 1246 O SER A 86 -0.850 9.667 -2.213 1.00 0.00 O ATOM 1247 CB SER A 86 -1.911 7.270 -0.613 1.00 0.00 C ATOM 1248 OG SER A 86 -1.245 7.536 0.608 1.00 0.00 O ATOM 0 H SER A 86 -2.833 8.429 -3.207 1.00 0.00 H new ATOM 0 HA SER A 86 -3.397 8.816 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.619 6.453 -0.475 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.189 6.944 -1.362 1.00 0.00 H new ATOM 0 HG SER A 86 -0.655 6.785 0.829 1.00 0.00 H new ATOM 1254 N THR A 87 -1.724 10.615 -0.366 1.00 0.00 N ATOM 1255 CA THR A 87 -0.832 11.767 -0.380 1.00 0.00 C ATOM 1256 C THR A 87 0.542 11.394 0.166 1.00 0.00 C ATOM 1257 O THR A 87 1.553 11.995 -0.198 1.00 0.00 O ATOM 1258 CB THR A 87 -1.405 12.930 0.449 1.00 0.00 C ATOM 1259 OG1 THR A 87 -1.557 12.529 1.817 1.00 0.00 O ATOM 1260 CG2 THR A 87 -2.750 13.378 -0.102 1.00 0.00 C ATOM 0 H THR A 87 -2.393 10.614 0.404 1.00 0.00 H new ATOM 0 HA THR A 87 -0.736 12.087 -1.418 1.00 0.00 H new ATOM 0 HB THR A 87 -0.708 13.766 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.920 13.275 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.134 14.201 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.629 13.710 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.452 12.545 -0.069 1.00 0.00 H new ATOM 1268 N VAL A 88 0.564 10.403 1.052 1.00 0.00 N ATOM 1269 CA VAL A 88 1.803 9.944 1.668 1.00 0.00 C ATOM 1270 C VAL A 88 2.537 8.954 0.769 1.00 0.00 C ATOM 1271 O VAL A 88 1.925 8.272 -0.053 1.00 0.00 O ATOM 1272 CB VAL A 88 1.538 9.279 3.033 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.862 10.257 3.982 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.695 8.023 2.864 1.00 0.00 C ATOM 0 H VAL A 88 -0.268 9.900 1.360 1.00 0.00 H new ATOM 0 HA VAL A 88 2.426 10.826 1.814 1.00 0.00 H new ATOM 0 HB VAL A 88 2.496 8.990 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.683 9.769 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.506 11.124 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.088 10.580 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.519 7.569 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.260 8.284 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.221 7.315 2.224 1.00 0.00 H new ATOM 1284 N SER A 89 3.854 8.886 0.933 1.00 0.00 N ATOM 1285 CA SER A 89 4.681 7.985 0.141 1.00 0.00 C ATOM 1286 C SER A 89 5.892 7.520 0.942 1.00 0.00 C ATOM 1287 O SER A 89 6.513 8.306 1.659 1.00 0.00 O ATOM 1288 CB SER A 89 5.139 8.678 -1.144 1.00 0.00 C ATOM 1289 OG SER A 89 5.879 9.852 -0.854 1.00 0.00 O ATOM 0 H SER A 89 4.372 9.446 1.610 1.00 0.00 H new ATOM 0 HA SER A 89 4.082 7.113 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.751 7.994 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.271 8.932 -1.753 1.00 0.00 H new ATOM 0 HG SER A 89 6.162 10.276 -1.691 1.00 0.00 H new ATOM 1295 N PHE A 90 6.219 6.238 0.820 1.00 0.00 N ATOM 1296 CA PHE A 90 7.352 5.664 1.536 1.00 0.00 C ATOM 1297 C PHE A 90 8.649 5.877 0.762 1.00 0.00 C ATOM 1298 O PHE A 90 8.718 5.607 -0.437 1.00 0.00 O ATOM 1299 CB PHE A 90 7.127 4.168 1.765 1.00 0.00 C ATOM 1300 CG PHE A 90 8.205 3.511 2.578 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.373 3.827 3.917 1.00 0.00 C ATOM 1302 CD2 PHE A 90 9.041 2.566 2.007 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.358 3.216 4.668 1.00 0.00 C ATOM 1304 CE2 PHE A 90 10.028 1.952 2.754 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.185 2.277 4.087 1.00 0.00 C ATOM 0 H PHE A 90 5.714 5.576 0.231 1.00 0.00 H new ATOM 0 HA PHE A 90 7.436 6.168 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.169 4.027 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.058 3.668 0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.727 4.559 4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.920 2.306 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.481 3.473 5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.676 1.219 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.954 1.797 4.674 1.00 0.00 H new ATOM 1315 N LYS A 91 9.676 6.359 1.455 1.00 0.00 N ATOM 1316 CA LYS A 91 10.972 6.602 0.832 1.00 0.00 C ATOM 1317 C LYS A 91 11.741 5.291 0.698 1.00 0.00 C ATOM 1318 O LYS A 91 12.048 4.641 1.698 1.00 0.00 O ATOM 1319 CB LYS A 91 11.780 7.597 1.675 1.00 0.00 C ATOM 1320 CG LYS A 91 12.845 8.372 0.904 1.00 0.00 C ATOM 1321 CD LYS A 91 13.837 7.460 0.198 1.00 0.00 C ATOM 1322 CE LYS A 91 14.930 8.263 -0.490 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.932 7.385 -1.157 1.00 0.00 N ATOM 0 H LYS A 91 9.636 6.589 2.448 1.00 0.00 H new ATOM 0 HA LYS A 91 10.813 7.023 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.092 8.309 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.263 7.055 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.360 9.014 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.383 9.025 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.284 6.777 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.313 6.849 -0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.481 8.927 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.432 8.894 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.151 7.763 -2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.801 7.354 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.544 6.424 -1.250 1.00 0.00 H new ATOM 1337 N LEU A 92 12.061 4.909 -0.534 1.00 0.00 N ATOM 1338 CA LEU A 92 12.804 3.678 -0.772 1.00 0.00 C ATOM 1339 C LEU A 92 14.301 3.922 -0.633 1.00 0.00 C ATOM 1340 O LEU A 92 14.911 4.587 -1.471 1.00 0.00 O ATOM 1341 CB LEU A 92 12.493 3.107 -2.161 1.00 0.00 C ATOM 1342 CG LEU A 92 11.071 2.569 -2.359 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.740 1.519 -1.309 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.054 3.701 -2.330 1.00 0.00 C ATOM 0 H LEU A 92 11.819 5.430 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 92 12.493 2.950 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.673 3.886 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.198 2.302 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 92 11.022 2.096 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.726 1.151 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.443 0.690 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.813 1.962 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.053 3.294 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.105 4.211 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.275 4.409 -3.129 1.00 0.00 H new ATOM 1356 N LEU A 93 14.888 3.382 0.430 1.00 0.00 N ATOM 1357 CA LEU A 93 16.313 3.545 0.677 1.00 0.00 C ATOM 1358 C LEU A 93 17.119 2.483 -0.061 1.00 0.00 C ATOM 1359 O LEU A 93 16.750 1.307 -0.079 1.00 0.00 O ATOM 1360 CB LEU A 93 16.600 3.487 2.180 1.00 0.00 C ATOM 1361 CG LEU A 93 15.778 4.457 3.034 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.192 4.362 4.494 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.925 5.885 2.527 1.00 0.00 C ATOM 0 H LEU A 93 14.398 2.828 1.133 1.00 0.00 H new ATOM 0 HA LEU A 93 16.616 4.522 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.415 2.472 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.658 3.692 2.341 1.00 0.00 H new ATOM 0 HG LEU A 93 14.728 4.176 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.598 5.058 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.027 3.346 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.248 4.614 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.332 6.555 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.973 6.181 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.575 5.943 1.496 1.00 0.00 H new ATOM 1375 N LYS A 94 18.218 2.906 -0.675 1.00 0.00 N ATOM 1376 CA LYS A 94 19.079 1.997 -1.424 1.00 0.00 C ATOM 1377 C LYS A 94 19.735 0.971 -0.500 1.00 0.00 C ATOM 1378 O LYS A 94 20.203 1.314 0.585 1.00 0.00 O ATOM 1379 CB LYS A 94 20.155 2.784 -2.176 1.00 0.00 C ATOM 1380 CG LYS A 94 19.594 3.801 -3.159 1.00 0.00 C ATOM 1381 CD LYS A 94 18.743 3.135 -4.231 1.00 0.00 C ATOM 1382 CE LYS A 94 18.208 4.152 -5.227 1.00 0.00 C ATOM 1383 NZ LYS A 94 17.370 5.190 -4.566 1.00 0.00 N ATOM 0 H LYS A 94 18.535 3.876 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 94 18.457 1.463 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.787 3.301 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.794 2.085 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.994 4.535 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.414 4.343 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.337 2.387 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.911 2.610 -3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.042 4.631 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.618 3.640 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.850 5.728 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.694 4.732 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.980 5.836 -4.026 1.00 0.00 H new ATOM 1397 N PRO A 95 19.781 -0.306 -0.924 1.00 0.00 N ATOM 1398 CA PRO A 95 20.388 -1.379 -0.127 1.00 0.00 C ATOM 1399 C PRO A 95 21.905 -1.250 -0.035 1.00 0.00 C ATOM 1400 O PRO A 95 22.581 -1.038 -1.043 1.00 0.00 O ATOM 1401 CB PRO A 95 20.005 -2.648 -0.891 1.00 0.00 C ATOM 1402 CG PRO A 95 19.810 -2.197 -2.297 1.00 0.00 C ATOM 1403 CD PRO A 95 19.253 -0.804 -2.209 1.00 0.00 C ATOM 0 HA PRO A 95 20.040 -1.364 0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.788 -3.403 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.096 -3.094 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.752 -2.207 -2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 95 19.126 -2.859 -2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.581 -0.186 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.163 -0.805 -2.222 1.00 0.00 H new