USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 810 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 53 THR OG1 : rot 74:sc= 0.0604 USER MOD Set 1.2: A 107 LYS NZ :NH3+ 157:sc= -0.0332 (180deg=-0.859) USER MOD Set 2.1: A 27 ASN : amide:sc= -0.494 K(o=-3.3,f=-0.12) USER MOD Set 2.2: A 59 ASN : amide:sc= -2.8! K(o=-3.3!,f=-0.12) USER MOD Single : A 10 LYS NZ :NH3+ -125:sc= -1.21 (180deg=-3.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 133:sc= -0.832! (180deg=-2.46!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 130:sc= -1.49 USER MOD Single : A 39 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.34) USER MOD Single : A 40 CYS SG : rot -156:sc= -1.12 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.375 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -3.37 K(o=-3.4,f=-7.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -156:sc= -0.0564 (180deg=-1.31) USER MOD Single : A 67 SER OG : rot -41:sc= -0.041 USER MOD Single : A 68 THR OG1 : rot -69:sc= -0.531 USER MOD Single : A 70 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0384) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 79 SER OG : rot 37:sc= 1.26 USER MOD Single : A 82 THR OG1 : rot 95:sc= 0.989 USER MOD Single : A 84 LYS NZ :NH3+ -121:sc= -0.205 (180deg=-0.454) USER MOD Single : A 93 THR OG1 : rot 39:sc= 0.02 USER MOD Single : A 97 TYR OH : rot -83:sc= 1.35 USER MOD Single : A 98 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.68) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 85:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -4.845 -13.096 -2.275 1.00 0.00 N ATOM 67 CA PRO A 8 -3.650 -12.709 -1.517 1.00 0.00 C ATOM 68 C PRO A 8 -3.846 -11.405 -0.753 1.00 0.00 C ATOM 69 O PRO A 8 -3.569 -11.327 0.444 1.00 0.00 O ATOM 70 CB PRO A 8 -2.583 -12.539 -2.601 1.00 0.00 C ATOM 71 CG PRO A 8 -3.347 -12.221 -3.839 1.00 0.00 C ATOM 72 CD PRO A 8 -4.646 -12.970 -3.728 1.00 0.00 C ATOM 0 HA PRO A 8 -3.392 -13.447 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.887 -11.739 -2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.994 -13.448 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.521 -11.148 -3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.795 -12.527 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.465 -12.427 -4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.590 -13.945 -4.212 1.00 0.00 H new ATOM 80 N VAL A 9 -4.326 -10.381 -1.451 1.00 0.00 N ATOM 81 CA VAL A 9 -4.560 -9.079 -0.838 1.00 0.00 C ATOM 82 C VAL A 9 -6.033 -8.693 -0.913 1.00 0.00 C ATOM 83 O VAL A 9 -6.625 -8.667 -1.992 1.00 0.00 O ATOM 84 CB VAL A 9 -3.717 -7.981 -1.512 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.669 -8.193 -3.018 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.270 -6.604 -1.177 1.00 0.00 C ATOM 0 H VAL A 9 -4.561 -10.428 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.263 -9.163 0.207 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.699 -8.042 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.069 -7.407 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.223 -9.164 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.681 -8.160 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.662 -5.840 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.298 -6.529 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.247 -6.455 -0.097 1.00 0.00 H new ATOM 96 N LYS A 10 -6.620 -8.393 0.240 1.00 0.00 N ATOM 97 CA LYS A 10 -8.024 -8.005 0.307 1.00 0.00 C ATOM 98 C LYS A 10 -8.240 -6.634 -0.325 1.00 0.00 C ATOM 99 O LYS A 10 -7.368 -5.767 -0.266 1.00 0.00 O ATOM 100 CB LYS A 10 -8.502 -7.990 1.760 1.00 0.00 C ATOM 101 CG LYS A 10 -9.865 -8.631 1.959 1.00 0.00 C ATOM 102 CD LYS A 10 -10.989 -7.677 1.592 1.00 0.00 C ATOM 103 CE LYS A 10 -11.483 -6.904 2.805 1.00 0.00 C ATOM 104 NZ LYS A 10 -12.727 -6.142 2.508 1.00 0.00 N ATOM 0 H LYS A 10 -6.145 -8.411 1.142 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.605 -8.739 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.771 -8.510 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.540 -6.959 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.937 -9.531 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.974 -8.941 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.641 -6.978 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.815 -8.238 1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.669 -7.597 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.706 -6.216 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.584 -5.139 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.956 -6.231 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.511 -6.523 3.076 1.00 0.00 H new ATOM 118 N VAL A 11 -9.410 -6.443 -0.928 1.00 0.00 N ATOM 119 CA VAL A 11 -9.742 -5.176 -1.568 1.00 0.00 C ATOM 120 C VAL A 11 -10.714 -4.368 -0.716 1.00 0.00 C ATOM 121 O VAL A 11 -11.875 -4.745 -0.553 1.00 0.00 O ATOM 122 CB VAL A 11 -10.359 -5.396 -2.962 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.791 -4.070 -3.570 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.374 -6.113 -3.873 1.00 0.00 C ATOM 0 H VAL A 11 -10.143 -7.150 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.810 -4.622 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.243 -6.024 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.224 -4.245 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.533 -3.599 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.925 -3.415 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.826 -6.260 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.471 -5.512 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.118 -7.081 -3.442 1.00 0.00 H new ATOM 134 N LEU A 12 -10.233 -3.254 -0.175 1.00 0.00 N ATOM 135 CA LEU A 12 -11.060 -2.391 0.661 1.00 0.00 C ATOM 136 C LEU A 12 -11.870 -1.420 -0.192 1.00 0.00 C ATOM 137 O LEU A 12 -11.409 -0.963 -1.238 1.00 0.00 O ATOM 138 CB LEU A 12 -10.186 -1.614 1.648 1.00 0.00 C ATOM 139 CG LEU A 12 -9.286 -2.455 2.553 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.311 -1.567 3.311 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.123 -3.278 3.521 1.00 0.00 C ATOM 0 H LEU A 12 -9.275 -2.927 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.753 -3.022 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.558 -0.926 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.836 -1.007 2.278 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.712 -3.139 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.679 -2.183 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.688 -1.022 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.866 -0.858 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.466 -3.871 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.724 -2.612 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.780 -3.942 2.960 1.00 0.00 H new ATOM 153 N VAL A 13 -13.079 -1.106 0.262 1.00 0.00 N ATOM 154 CA VAL A 13 -13.952 -0.187 -0.457 1.00 0.00 C ATOM 155 C VAL A 13 -14.446 0.930 0.455 1.00 0.00 C ATOM 156 O VAL A 13 -14.455 0.789 1.677 1.00 0.00 O ATOM 157 CB VAL A 13 -15.167 -0.920 -1.057 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.739 -1.793 -2.227 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.868 -1.748 0.009 1.00 0.00 C ATOM 0 H VAL A 13 -13.476 -1.475 1.126 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.361 0.243 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.872 -0.176 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.610 -2.303 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.285 -1.171 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.015 -2.532 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.724 -2.259 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.174 -2.485 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.210 -1.094 0.811 1.00 0.00 H new ATOM 169 N GLY A 14 -14.857 2.041 -0.148 1.00 0.00 N ATOM 170 CA GLY A 14 -15.347 3.167 0.626 1.00 0.00 C ATOM 171 C GLY A 14 -16.607 2.834 1.400 1.00 0.00 C ATOM 172 O GLY A 14 -17.101 3.650 2.178 1.00 0.00 O ATOM 0 H GLY A 14 -14.860 2.182 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.572 3.491 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.546 4.005 -0.043 1.00 0.00 H new ATOM 176 N LYS A 15 -17.129 1.631 1.187 1.00 0.00 N ATOM 177 CA LYS A 15 -18.340 1.190 1.871 1.00 0.00 C ATOM 178 C LYS A 15 -18.002 0.524 3.201 1.00 0.00 C ATOM 179 O LYS A 15 -18.558 0.876 4.240 1.00 0.00 O ATOM 180 CB LYS A 15 -19.123 0.217 0.986 1.00 0.00 C ATOM 181 CG LYS A 15 -20.271 -0.470 1.707 1.00 0.00 C ATOM 182 CD LYS A 15 -21.507 0.412 1.754 1.00 0.00 C ATOM 183 CE LYS A 15 -21.493 1.328 2.968 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.184 0.712 4.135 1.00 0.00 N ATOM 0 H LYS A 15 -16.733 0.943 0.546 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.955 2.067 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.517 0.758 0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.441 -0.541 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.510 -1.406 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.965 -0.723 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.562 1.011 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -22.400 -0.212 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.462 1.559 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.976 2.272 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.153 1.367 4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.175 0.514 3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.707 -0.176 4.391 1.00 0.00 H new ATOM 198 N ASN A 16 -17.086 -0.438 3.161 1.00 0.00 N ATOM 199 CA ASN A 16 -16.673 -1.151 4.364 1.00 0.00 C ATOM 200 C ASN A 16 -15.170 -1.015 4.589 1.00 0.00 C ATOM 201 O ASN A 16 -14.556 -1.839 5.266 1.00 0.00 O ATOM 202 CB ASN A 16 -17.052 -2.630 4.260 1.00 0.00 C ATOM 203 CG ASN A 16 -16.251 -3.359 3.199 1.00 0.00 C ATOM 204 OD1 ASN A 16 -16.739 -3.603 2.095 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.014 -3.711 3.529 1.00 0.00 N ATOM 0 H ASN A 16 -16.616 -0.742 2.308 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.191 -0.708 5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.894 -3.111 5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.114 -2.715 4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.427 -4.204 2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.650 -3.488 4.456 1.00 0.00 H new ATOM 212 N PHE A 17 -14.585 0.033 4.018 1.00 0.00 N ATOM 213 CA PHE A 17 -13.154 0.278 4.155 1.00 0.00 C ATOM 214 C PHE A 17 -12.740 0.271 5.624 1.00 0.00 C ATOM 215 O PHE A 17 -12.041 -0.634 6.078 1.00 0.00 O ATOM 216 CB PHE A 17 -12.780 1.616 3.515 1.00 0.00 C ATOM 217 CG PHE A 17 -11.618 2.296 4.180 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.366 1.702 4.193 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.777 3.529 4.793 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.295 2.326 4.805 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.710 4.157 5.406 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.467 3.555 5.412 1.00 0.00 C ATOM 0 H PHE A 17 -15.080 0.726 3.456 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.623 -0.523 3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.542 1.453 2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.645 2.279 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.226 0.741 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.747 4.004 4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.324 1.853 4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.848 5.118 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.631 4.044 5.890 1.00 0.00 H new ATOM 232 N GLU A 18 -13.177 1.289 6.360 1.00 0.00 N ATOM 233 CA GLU A 18 -12.850 1.401 7.777 1.00 0.00 C ATOM 234 C GLU A 18 -13.189 0.110 8.517 1.00 0.00 C ATOM 235 O GLU A 18 -12.456 -0.317 9.409 1.00 0.00 O ATOM 236 CB GLU A 18 -13.604 2.574 8.406 1.00 0.00 C ATOM 237 CG GLU A 18 -13.132 3.933 7.916 1.00 0.00 C ATOM 238 CD GLU A 18 -14.173 5.018 8.113 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.949 4.926 9.087 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.211 5.959 7.293 1.00 0.00 O ATOM 0 H GLU A 18 -13.757 2.046 5.999 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.778 1.579 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.667 2.469 8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.492 2.528 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.220 4.209 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.879 3.866 6.858 1.00 0.00 H new ATOM 247 N ASP A 19 -14.304 -0.506 8.140 1.00 0.00 N ATOM 248 CA ASP A 19 -14.740 -1.748 8.767 1.00 0.00 C ATOM 249 C ASP A 19 -13.617 -2.781 8.768 1.00 0.00 C ATOM 250 O ASP A 19 -13.429 -3.508 9.743 1.00 0.00 O ATOM 251 CB ASP A 19 -15.964 -2.308 8.041 1.00 0.00 C ATOM 252 CG ASP A 19 -17.266 -1.754 8.586 1.00 0.00 C ATOM 253 OD1 ASP A 19 -17.402 -0.514 8.649 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.147 -2.559 8.951 1.00 0.00 O ATOM 0 H ASP A 19 -14.922 -0.166 7.404 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.008 -1.529 9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.890 -2.075 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.970 -3.394 8.130 1.00 0.00 H new ATOM 259 N VAL A 20 -12.874 -2.840 7.667 1.00 0.00 N ATOM 260 CA VAL A 20 -11.769 -3.783 7.541 1.00 0.00 C ATOM 261 C VAL A 20 -10.442 -3.126 7.902 1.00 0.00 C ATOM 262 O VAL A 20 -9.476 -3.805 8.251 1.00 0.00 O ATOM 263 CB VAL A 20 -11.677 -4.350 6.112 1.00 0.00 C ATOM 264 CG1 VAL A 20 -10.368 -5.101 5.919 1.00 0.00 C ATOM 265 CG2 VAL A 20 -12.866 -5.252 5.819 1.00 0.00 C ATOM 0 H VAL A 20 -13.017 -2.246 6.850 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.967 -4.599 8.236 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.699 -3.518 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.321 -5.495 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.531 -4.422 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.313 -5.925 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.784 -5.644 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.878 -6.080 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.789 -4.680 5.914 1.00 0.00 H new ATOM 275 N ALA A 21 -10.401 -1.800 7.816 1.00 0.00 N ATOM 276 CA ALA A 21 -9.193 -1.051 8.136 1.00 0.00 C ATOM 277 C ALA A 21 -9.027 -0.895 9.644 1.00 0.00 C ATOM 278 O ALA A 21 -8.057 -1.383 10.226 1.00 0.00 O ATOM 279 CB ALA A 21 -9.224 0.313 7.463 1.00 0.00 C ATOM 0 H ALA A 21 -11.191 -1.223 7.527 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.337 -1.611 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.315 0.862 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.287 0.184 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.092 0.872 7.813 1.00 0.00 H new ATOM 285 N PHE A 22 -9.978 -0.212 10.272 1.00 0.00 N ATOM 286 CA PHE A 22 -9.936 0.010 11.712 1.00 0.00 C ATOM 287 C PHE A 22 -10.472 -1.204 12.465 1.00 0.00 C ATOM 288 O PHE A 22 -11.311 -1.074 13.357 1.00 0.00 O ATOM 289 CB PHE A 22 -10.748 1.253 12.083 1.00 0.00 C ATOM 290 CG PHE A 22 -10.135 2.535 11.597 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.845 2.884 11.963 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.849 3.392 10.774 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.279 4.064 11.518 1.00 0.00 C ATOM 294 CE2 PHE A 22 -10.288 4.573 10.326 1.00 0.00 C ATOM 295 CZ PHE A 22 -9.001 4.909 10.697 1.00 0.00 C ATOM 0 H PHE A 22 -10.788 0.197 9.806 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.896 0.165 12.000 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.752 1.159 11.668 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -10.854 1.298 13.167 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.275 2.227 12.603 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.855 3.134 10.479 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.273 4.325 11.812 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.856 5.233 9.686 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.560 5.830 10.346 1.00 0.00 H new ATOM 305 N ASP A 23 -9.982 -2.383 12.099 1.00 0.00 N ATOM 306 CA ASP A 23 -10.411 -3.622 12.739 1.00 0.00 C ATOM 307 C ASP A 23 -9.591 -3.895 13.997 1.00 0.00 C ATOM 308 O ASP A 23 -8.379 -4.097 13.927 1.00 0.00 O ATOM 309 CB ASP A 23 -10.282 -4.795 11.766 1.00 0.00 C ATOM 310 CG ASP A 23 -11.091 -6.000 12.204 1.00 0.00 C ATOM 311 OD1 ASP A 23 -11.190 -6.237 13.426 1.00 0.00 O ATOM 312 OD2 ASP A 23 -11.624 -6.707 11.324 1.00 0.00 O ATOM 0 H ASP A 23 -9.287 -2.507 11.363 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.457 -3.512 13.025 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.611 -4.480 10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.233 -5.077 11.678 1.00 0.00 H new ATOM 317 N GLU A 24 -10.261 -3.899 15.145 1.00 0.00 N ATOM 318 CA GLU A 24 -9.593 -4.146 16.417 1.00 0.00 C ATOM 319 C GLU A 24 -9.013 -5.556 16.462 1.00 0.00 C ATOM 320 O GLU A 24 -9.428 -6.436 15.708 1.00 0.00 O ATOM 321 CB GLU A 24 -10.570 -3.948 17.578 1.00 0.00 C ATOM 322 CG GLU A 24 -10.254 -4.804 18.793 1.00 0.00 C ATOM 323 CD GLU A 24 -11.198 -4.545 19.951 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.399 -4.862 19.820 1.00 0.00 O ATOM 325 OE2 GLU A 24 -10.736 -4.026 20.988 1.00 0.00 O ATOM 0 H GLU A 24 -11.265 -3.734 15.220 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.775 -3.432 16.513 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.564 -2.898 17.872 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.579 -4.177 17.235 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.307 -5.857 18.515 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.230 -4.610 19.113 1.00 0.00 H new ATOM 332 N LYS A 25 -8.048 -5.765 17.352 1.00 0.00 N ATOM 333 CA LYS A 25 -7.409 -7.067 17.498 1.00 0.00 C ATOM 334 C LYS A 25 -6.982 -7.618 16.142 1.00 0.00 C ATOM 335 O LYS A 25 -6.918 -8.832 15.945 1.00 0.00 O ATOM 336 CB LYS A 25 -8.360 -8.051 18.184 1.00 0.00 C ATOM 337 CG LYS A 25 -8.137 -8.167 19.682 1.00 0.00 C ATOM 338 CD LYS A 25 -8.462 -6.867 20.397 1.00 0.00 C ATOM 339 CE LYS A 25 -8.326 -7.011 21.905 1.00 0.00 C ATOM 340 NZ LYS A 25 -9.531 -7.641 22.512 1.00 0.00 N ATOM 0 H LYS A 25 -7.691 -5.048 17.984 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.520 -6.940 18.116 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.388 -7.738 18.001 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.241 -9.035 17.730 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.758 -8.968 20.082 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.100 -8.440 19.876 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.796 -6.080 20.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.478 -6.559 20.150 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.447 -7.613 22.135 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.166 -6.029 22.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.400 -7.722 23.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.366 -7.054 22.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.670 -8.588 22.105 1.00 0.00 H new ATOM 354 N LYS A 26 -6.689 -6.719 15.208 1.00 0.00 N ATOM 355 CA LYS A 26 -6.265 -7.115 13.870 1.00 0.00 C ATOM 356 C LYS A 26 -5.459 -6.005 13.204 1.00 0.00 C ATOM 357 O LYS A 26 -5.908 -4.863 13.122 1.00 0.00 O ATOM 358 CB LYS A 26 -7.482 -7.463 13.009 1.00 0.00 C ATOM 359 CG LYS A 26 -7.156 -7.633 11.536 1.00 0.00 C ATOM 360 CD LYS A 26 -6.627 -9.027 11.239 1.00 0.00 C ATOM 361 CE LYS A 26 -7.641 -10.098 11.611 1.00 0.00 C ATOM 362 NZ LYS A 26 -7.438 -10.596 13.000 1.00 0.00 N ATOM 0 H LYS A 26 -6.737 -5.711 15.353 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.630 -7.996 13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.929 -8.384 13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.231 -6.678 13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.050 -7.448 10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.415 -6.891 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.384 -9.107 10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.702 -9.192 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.649 -9.694 11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.563 -10.930 10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.352 -10.624 13.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.031 -11.553 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.789 -9.960 13.505 1.00 0.00 H new ATOM 376 N ASN A 27 -4.266 -6.349 12.729 1.00 0.00 N ATOM 377 CA ASN A 27 -3.398 -5.381 12.070 1.00 0.00 C ATOM 378 C ASN A 27 -3.587 -5.422 10.556 1.00 0.00 C ATOM 379 O ASN A 27 -3.052 -6.298 9.877 1.00 0.00 O ATOM 380 CB ASN A 27 -1.934 -5.656 12.419 1.00 0.00 C ATOM 381 CG ASN A 27 -1.706 -5.760 13.915 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.578 -4.749 14.606 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.655 -6.986 14.422 1.00 0.00 N ATOM 0 H ASN A 27 -3.879 -7.291 12.788 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.669 -4.387 12.426 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.617 -6.583 11.941 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.311 -4.859 12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.505 -7.118 15.422 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.766 -7.795 13.811 1.00 0.00 H new ATOM 390 N VAL A 28 -4.353 -4.469 10.035 1.00 0.00 N ATOM 391 CA VAL A 28 -4.613 -4.395 8.602 1.00 0.00 C ATOM 392 C VAL A 28 -3.753 -3.322 7.943 1.00 0.00 C ATOM 393 O VAL A 28 -3.759 -2.164 8.360 1.00 0.00 O ATOM 394 CB VAL A 28 -6.096 -4.097 8.315 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.383 -4.200 6.825 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.991 -5.040 9.105 1.00 0.00 C ATOM 0 H VAL A 28 -4.804 -3.737 10.584 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.359 -5.369 8.183 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.312 -3.077 8.632 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.436 -3.986 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.767 -3.481 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.152 -5.207 6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.036 -4.815 8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.775 -6.070 8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.804 -4.911 10.171 1.00 0.00 H new ATOM 406 N PHE A 29 -3.015 -3.716 6.910 1.00 0.00 N ATOM 407 CA PHE A 29 -2.149 -2.788 6.192 1.00 0.00 C ATOM 408 C PHE A 29 -2.723 -2.461 4.817 1.00 0.00 C ATOM 409 O PHE A 29 -2.568 -3.230 3.868 1.00 0.00 O ATOM 410 CB PHE A 29 -0.745 -3.378 6.044 1.00 0.00 C ATOM 411 CG PHE A 29 0.235 -2.439 5.401 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.078 -1.067 5.516 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.314 -2.928 4.682 1.00 0.00 C ATOM 414 CE1 PHE A 29 0.978 -0.200 4.926 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.218 -2.066 4.090 1.00 0.00 C ATOM 416 CZ PHE A 29 2.049 -0.700 4.211 1.00 0.00 C ATOM 0 H PHE A 29 -2.999 -4.671 6.552 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.089 -1.866 6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.373 -3.661 7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.804 -4.291 5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.758 -0.671 6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.450 -3.995 4.583 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.844 0.867 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.056 -2.460 3.533 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.753 -0.025 3.748 1.00 0.00 H new ATOM 426 N VAL A 30 -3.389 -1.314 4.718 1.00 0.00 N ATOM 427 CA VAL A 30 -3.987 -0.884 3.459 1.00 0.00 C ATOM 428 C VAL A 30 -2.959 -0.195 2.569 1.00 0.00 C ATOM 429 O VAL A 30 -1.926 0.274 3.047 1.00 0.00 O ATOM 430 CB VAL A 30 -5.168 0.075 3.698 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.956 0.282 2.414 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.067 -0.453 4.806 1.00 0.00 C ATOM 0 H VAL A 30 -3.528 -0.667 5.494 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.352 -1.781 2.959 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.772 1.041 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.786 0.962 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.304 0.708 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.343 -0.676 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.896 0.237 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.457 -1.431 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.493 -0.544 5.728 1.00 0.00 H new ATOM 442 N GLU A 31 -3.249 -0.138 1.273 1.00 0.00 N ATOM 443 CA GLU A 31 -2.348 0.494 0.317 1.00 0.00 C ATOM 444 C GLU A 31 -3.129 1.316 -0.705 1.00 0.00 C ATOM 445 O GLU A 31 -3.756 0.767 -1.611 1.00 0.00 O ATOM 446 CB GLU A 31 -1.506 -0.563 -0.400 1.00 0.00 C ATOM 447 CG GLU A 31 -0.943 -0.094 -1.731 1.00 0.00 C ATOM 448 CD GLU A 31 -0.248 -1.204 -2.495 1.00 0.00 C ATOM 449 OE1 GLU A 31 0.955 -1.430 -2.251 1.00 0.00 O ATOM 450 OE2 GLU A 31 -0.910 -1.847 -3.337 1.00 0.00 O ATOM 0 H GLU A 31 -4.100 -0.521 0.862 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.687 1.163 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.682 -0.860 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.117 -1.450 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.751 0.311 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.238 0.719 -1.557 1.00 0.00 H new ATOM 457 N PHE A 32 -3.087 2.635 -0.551 1.00 0.00 N ATOM 458 CA PHE A 32 -3.792 3.534 -1.458 1.00 0.00 C ATOM 459 C PHE A 32 -2.994 3.746 -2.741 1.00 0.00 C ATOM 460 O PHE A 32 -2.011 4.488 -2.758 1.00 0.00 O ATOM 461 CB PHE A 32 -4.052 4.879 -0.777 1.00 0.00 C ATOM 462 CG PHE A 32 -4.957 4.781 0.418 1.00 0.00 C ATOM 463 CD1 PHE A 32 -4.435 4.556 1.682 1.00 0.00 C ATOM 464 CD2 PHE A 32 -6.329 4.915 0.277 1.00 0.00 C ATOM 465 CE1 PHE A 32 -5.266 4.464 2.783 1.00 0.00 C ATOM 466 CE2 PHE A 32 -7.164 4.825 1.375 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.632 4.600 2.629 1.00 0.00 C ATOM 0 H PHE A 32 -2.572 3.106 0.193 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.747 3.075 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.100 5.310 -0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.492 5.565 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.368 4.451 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.751 5.092 -0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.848 4.286 3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.232 4.931 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.283 4.530 3.488 1.00 0.00 H new ATOM 477 N TYR A 33 -3.424 3.090 -3.813 1.00 0.00 N ATOM 478 CA TYR A 33 -2.749 3.204 -5.101 1.00 0.00 C ATOM 479 C TYR A 33 -3.600 3.988 -6.095 1.00 0.00 C ATOM 480 O TYR A 33 -4.756 4.310 -5.821 1.00 0.00 O ATOM 481 CB TYR A 33 -2.438 1.816 -5.662 1.00 0.00 C ATOM 482 CG TYR A 33 -3.670 1.033 -6.056 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.347 1.311 -7.237 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.158 0.013 -5.246 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.473 0.598 -7.600 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.282 -0.705 -5.602 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.937 -0.409 -6.780 1.00 0.00 C ATOM 488 OH TYR A 33 -7.058 -1.122 -7.139 1.00 0.00 O ATOM 0 H TYR A 33 -4.237 2.474 -3.816 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.815 3.744 -4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.791 1.922 -6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.880 1.249 -4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.987 2.098 -7.882 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.649 -0.221 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.987 0.828 -8.521 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.647 -1.494 -4.962 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.251 -1.795 -6.454 1.00 0.00 H new ATOM 498 N ALA A 34 -3.019 4.292 -7.251 1.00 0.00 N ATOM 499 CA ALA A 34 -3.724 5.036 -8.287 1.00 0.00 C ATOM 500 C ALA A 34 -3.641 4.318 -9.630 1.00 0.00 C ATOM 501 O ALA A 34 -2.586 3.834 -10.039 1.00 0.00 O ATOM 502 CB ALA A 34 -3.159 6.444 -8.404 1.00 0.00 C ATOM 0 H ALA A 34 -2.062 4.034 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.774 5.101 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.695 6.988 -9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.275 6.963 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.101 6.391 -8.662 1.00 0.00 H new ATOM 508 N PRO A 35 -4.781 4.245 -10.334 1.00 0.00 N ATOM 509 CA PRO A 35 -4.863 3.587 -11.641 1.00 0.00 C ATOM 510 C PRO A 35 -4.127 4.363 -12.728 1.00 0.00 C ATOM 511 O PRO A 35 -4.028 3.910 -13.868 1.00 0.00 O ATOM 512 CB PRO A 35 -6.366 3.558 -11.930 1.00 0.00 C ATOM 513 CG PRO A 35 -6.925 4.694 -11.145 1.00 0.00 C ATOM 514 CD PRO A 35 -6.077 4.799 -9.908 1.00 0.00 C ATOM 0 HA PRO A 35 -4.398 2.601 -11.631 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.567 3.676 -12.995 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.809 2.610 -11.625 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.892 5.619 -11.720 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.969 4.515 -10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.982 5.832 -9.573 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.503 4.233 -9.080 1.00 0.00 H new ATOM 522 N TRP A 36 -3.613 5.533 -12.367 1.00 0.00 N ATOM 523 CA TRP A 36 -2.885 6.372 -13.312 1.00 0.00 C ATOM 524 C TRP A 36 -1.470 6.649 -12.817 1.00 0.00 C ATOM 525 O TRP A 36 -0.617 7.113 -13.574 1.00 0.00 O ATOM 526 CB TRP A 36 -3.628 7.691 -13.533 1.00 0.00 C ATOM 527 CG TRP A 36 -4.436 8.123 -12.347 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.759 7.872 -12.122 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.973 8.883 -11.226 1.00 0.00 C ATOM 530 NE1 TRP A 36 -6.147 8.431 -10.928 1.00 0.00 N ATOM 531 CE2 TRP A 36 -5.069 9.056 -10.359 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.739 9.434 -10.870 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.966 9.756 -9.160 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.638 10.129 -9.679 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.746 10.284 -8.836 1.00 0.00 C ATOM 0 H TRP A 36 -3.687 5.922 -11.427 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.820 5.836 -14.259 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.906 8.471 -13.775 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.287 7.588 -14.395 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.405 7.316 -12.785 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.085 8.388 -10.530 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.880 9.319 -11.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.819 9.878 -8.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.689 10.559 -9.394 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.635 10.831 -7.912 1.00 0.00 H new ATOM 546 N CYS A 37 -1.227 6.362 -11.543 1.00 0.00 N ATOM 547 CA CYS A 37 0.086 6.581 -10.947 1.00 0.00 C ATOM 548 C CYS A 37 1.085 5.535 -11.432 1.00 0.00 C ATOM 549 O CYS A 37 0.994 4.362 -11.073 1.00 0.00 O ATOM 550 CB CYS A 37 -0.011 6.542 -9.421 1.00 0.00 C ATOM 551 SG CYS A 37 1.582 6.681 -8.576 1.00 0.00 S ATOM 0 H CYS A 37 -1.922 5.977 -10.903 1.00 0.00 H new ATOM 0 HA CYS A 37 0.439 7.565 -11.257 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.659 7.353 -9.088 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.489 5.609 -9.122 1.00 0.00 H new ATOM 0 HG CYS A 37 1.509 7.601 -7.660 1.00 0.00 H new ATOM 557 N GLY A 38 2.038 5.969 -12.252 1.00 0.00 N ATOM 558 CA GLY A 38 3.039 5.058 -12.774 1.00 0.00 C ATOM 559 C GLY A 38 3.691 4.227 -11.687 1.00 0.00 C ATOM 560 O GLY A 38 3.926 3.032 -11.865 1.00 0.00 O ATOM 0 H GLY A 38 2.134 6.935 -12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.576 4.395 -13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.805 5.628 -13.300 1.00 0.00 H new ATOM 564 N HIS A 39 3.986 4.862 -10.557 1.00 0.00 N ATOM 565 CA HIS A 39 4.617 4.174 -9.436 1.00 0.00 C ATOM 566 C HIS A 39 3.778 2.980 -8.990 1.00 0.00 C ATOM 567 O HIS A 39 4.314 1.918 -8.668 1.00 0.00 O ATOM 568 CB HIS A 39 4.816 5.137 -8.265 1.00 0.00 C ATOM 569 CG HIS A 39 6.121 5.870 -8.309 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.325 5.250 -8.572 1.00 0.00 N ATOM 571 CD2 HIS A 39 6.408 7.180 -8.122 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.295 6.147 -8.544 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.765 7.326 -8.273 1.00 0.00 N ATOM 0 H HIS A 39 3.798 5.851 -10.393 1.00 0.00 H new ATOM 0 HA HIS A 39 5.590 3.810 -9.767 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.002 5.861 -8.258 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.753 4.579 -7.331 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.701 7.964 -7.896 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.343 5.950 -8.714 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.280 8.202 -8.189 1.00 0.00 H new ATOM 582 N CYS A 40 2.462 3.160 -8.973 1.00 0.00 N ATOM 583 CA CYS A 40 1.550 2.098 -8.565 1.00 0.00 C ATOM 584 C CYS A 40 1.720 0.866 -9.448 1.00 0.00 C ATOM 585 O CYS A 40 1.850 -0.253 -8.952 1.00 0.00 O ATOM 586 CB CYS A 40 0.102 2.589 -8.628 1.00 0.00 C ATOM 587 SG CYS A 40 -1.106 1.284 -8.955 1.00 0.00 S ATOM 0 H CYS A 40 2.003 4.032 -9.237 1.00 0.00 H new ATOM 0 HA CYS A 40 1.789 1.822 -7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.148 3.072 -7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.020 3.348 -9.406 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.179 1.805 -9.473 1.00 0.00 H new ATOM 593 N LYS A 41 1.718 1.079 -10.760 1.00 0.00 N ATOM 594 CA LYS A 41 1.872 -0.013 -11.713 1.00 0.00 C ATOM 595 C LYS A 41 2.990 -0.957 -11.283 1.00 0.00 C ATOM 596 O LYS A 41 2.988 -2.136 -11.636 1.00 0.00 O ATOM 597 CB LYS A 41 2.166 0.539 -13.110 1.00 0.00 C ATOM 598 CG LYS A 41 0.930 1.033 -13.841 1.00 0.00 C ATOM 599 CD LYS A 41 1.294 1.754 -15.128 1.00 0.00 C ATOM 600 CE LYS A 41 0.184 2.693 -15.574 1.00 0.00 C ATOM 601 NZ LYS A 41 -0.947 1.956 -16.203 1.00 0.00 N ATOM 0 H LYS A 41 1.611 1.999 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 41 0.937 -0.573 -11.739 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.879 1.359 -13.025 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.644 -0.239 -13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.279 0.189 -14.068 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.367 1.705 -13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.214 2.320 -14.981 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.491 1.023 -15.912 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.182 3.256 -14.715 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.584 3.418 -16.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.683 2.631 -16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.603 1.439 -17.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.346 1.282 -15.518 1.00 0.00 H new ATOM 615 N GLN A 42 3.941 -0.431 -10.518 1.00 0.00 N ATOM 616 CA GLN A 42 5.064 -1.229 -10.040 1.00 0.00 C ATOM 617 C GLN A 42 4.757 -1.839 -8.676 1.00 0.00 C ATOM 618 O GLN A 42 5.289 -2.891 -8.321 1.00 0.00 O ATOM 619 CB GLN A 42 6.327 -0.370 -9.954 1.00 0.00 C ATOM 620 CG GLN A 42 6.866 0.057 -11.310 1.00 0.00 C ATOM 621 CD GLN A 42 7.805 -0.969 -11.914 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.333 -1.833 -11.213 1.00 0.00 O ATOM 623 NE2 GLN A 42 8.016 -0.881 -13.222 1.00 0.00 N ATOM 0 H GLN A 42 3.956 0.543 -10.216 1.00 0.00 H new ATOM 0 HA GLN A 42 5.230 -2.038 -10.751 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.112 0.519 -9.361 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.100 -0.927 -9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.032 0.226 -11.991 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.390 1.007 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.558 -0.149 -13.764 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.637 -1.546 -13.684 1.00 0.00 H new ATOM 632 N LEU A 43 3.895 -1.173 -7.916 1.00 0.00 N ATOM 633 CA LEU A 43 3.516 -1.650 -6.591 1.00 0.00 C ATOM 634 C LEU A 43 2.454 -2.740 -6.687 1.00 0.00 C ATOM 635 O LEU A 43 2.247 -3.504 -5.744 1.00 0.00 O ATOM 636 CB LEU A 43 2.996 -0.490 -5.739 1.00 0.00 C ATOM 637 CG LEU A 43 3.047 -0.694 -4.225 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.488 -0.781 -3.746 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.313 0.432 -3.510 1.00 0.00 C ATOM 0 H LEU A 43 3.445 -0.301 -8.195 1.00 0.00 H new ATOM 0 HA LEU A 43 4.402 -2.073 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.572 0.402 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.963 -0.291 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 43 2.549 -1.634 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.504 -0.926 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.983 -1.621 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.011 0.142 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.359 0.270 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.782 1.385 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.271 0.448 -3.830 1.00 0.00 H new ATOM 651 N ALA A 44 1.786 -2.809 -7.834 1.00 0.00 N ATOM 652 CA ALA A 44 0.749 -3.809 -8.055 1.00 0.00 C ATOM 653 C ALA A 44 1.252 -5.207 -7.712 1.00 0.00 C ATOM 654 O ALA A 44 0.650 -5.933 -6.921 1.00 0.00 O ATOM 655 CB ALA A 44 0.267 -3.758 -9.497 1.00 0.00 C ATOM 0 H ALA A 44 1.945 -2.184 -8.624 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.088 -3.581 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.507 -4.510 -9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.140 -2.770 -9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.103 -3.958 -10.167 1.00 0.00 H new ATOM 661 N PRO A 45 2.383 -5.595 -8.321 1.00 0.00 N ATOM 662 CA PRO A 45 2.991 -6.910 -8.095 1.00 0.00 C ATOM 663 C PRO A 45 3.584 -7.042 -6.696 1.00 0.00 C ATOM 664 O PRO A 45 3.320 -8.015 -5.990 1.00 0.00 O ATOM 665 CB PRO A 45 4.097 -6.975 -9.152 1.00 0.00 C ATOM 666 CG PRO A 45 4.435 -5.552 -9.434 1.00 0.00 C ATOM 667 CD PRO A 45 3.153 -4.782 -9.276 1.00 0.00 C ATOM 0 HA PRO A 45 2.261 -7.715 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.965 -7.523 -8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.755 -7.487 -10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.196 -5.188 -8.744 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.837 -5.439 -10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.332 -3.777 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.629 -4.674 -10.226 1.00 0.00 H new ATOM 675 N ILE A 46 4.384 -6.057 -6.302 1.00 0.00 N ATOM 676 CA ILE A 46 5.011 -6.063 -4.987 1.00 0.00 C ATOM 677 C ILE A 46 3.968 -6.179 -3.881 1.00 0.00 C ATOM 678 O ILE A 46 4.168 -6.893 -2.898 1.00 0.00 O ATOM 679 CB ILE A 46 5.849 -4.792 -4.756 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.912 -4.650 -5.847 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.496 -4.826 -3.380 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.257 -3.213 -6.172 1.00 0.00 C ATOM 0 H ILE A 46 4.613 -5.245 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 46 5.669 -6.932 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 46 5.188 -3.926 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.817 -5.170 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.560 -5.144 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.085 -3.921 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.722 -4.884 -2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.146 -5.698 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.017 -3.189 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.363 -2.694 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.640 -2.720 -5.279 1.00 0.00 H new ATOM 694 N TRP A 47 2.855 -5.474 -4.049 1.00 0.00 N ATOM 695 CA TRP A 47 1.779 -5.500 -3.065 1.00 0.00 C ATOM 696 C TRP A 47 1.063 -6.846 -3.075 1.00 0.00 C ATOM 697 O TRP A 47 0.694 -7.371 -2.025 1.00 0.00 O ATOM 698 CB TRP A 47 0.780 -4.375 -3.342 1.00 0.00 C ATOM 699 CG TRP A 47 -0.130 -4.090 -2.185 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.480 -4.285 -2.138 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.246 -3.558 -0.911 1.00 0.00 C ATOM 702 NE1 TRP A 47 -1.968 -3.905 -0.911 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.929 -3.456 -0.139 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.459 -3.158 -0.345 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.922 -2.972 1.166 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.464 -2.677 0.951 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.280 -2.588 1.695 1.00 0.00 C ATOM 0 H TRP A 47 2.674 -4.878 -4.857 1.00 0.00 H new ATOM 0 HA TRP A 47 2.219 -5.352 -2.079 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.327 -3.467 -3.597 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.178 -4.639 -4.212 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.077 -4.680 -2.947 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.945 -3.950 -0.622 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.377 -3.223 -0.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.834 -2.902 1.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.396 -2.365 1.398 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.317 -2.209 2.706 1.00 0.00 H new ATOM 718 N ASP A 48 0.871 -7.399 -4.267 1.00 0.00 N ATOM 719 CA ASP A 48 0.200 -8.686 -4.414 1.00 0.00 C ATOM 720 C ASP A 48 1.082 -9.820 -3.899 1.00 0.00 C ATOM 721 O ASP A 48 0.584 -10.848 -3.438 1.00 0.00 O ATOM 722 CB ASP A 48 -0.164 -8.931 -5.879 1.00 0.00 C ATOM 723 CG ASP A 48 -0.279 -10.407 -6.207 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.729 -11.129 -6.059 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.378 -10.840 -6.612 1.00 0.00 O ATOM 0 H ASP A 48 1.170 -6.977 -5.146 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.714 -8.662 -3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.109 -8.437 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.592 -8.477 -6.519 1.00 0.00 H new ATOM 730 N LYS A 49 2.394 -9.627 -3.982 1.00 0.00 N ATOM 731 CA LYS A 49 3.346 -10.632 -3.525 1.00 0.00 C ATOM 732 C LYS A 49 3.437 -10.643 -2.003 1.00 0.00 C ATOM 733 O LYS A 49 3.768 -11.664 -1.397 1.00 0.00 O ATOM 734 CB LYS A 49 4.727 -10.367 -4.128 1.00 0.00 C ATOM 735 CG LYS A 49 4.850 -10.797 -5.579 1.00 0.00 C ATOM 736 CD LYS A 49 5.858 -9.943 -6.330 1.00 0.00 C ATOM 737 CE LYS A 49 7.286 -10.377 -6.036 1.00 0.00 C ATOM 738 NZ LYS A 49 8.250 -9.818 -7.024 1.00 0.00 N ATOM 0 H LYS A 49 2.822 -8.783 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 49 2.993 -11.608 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.948 -9.302 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.479 -10.891 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.152 -11.843 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.877 -10.725 -6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.669 -10.013 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.730 -8.897 -6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.565 -10.053 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.344 -11.465 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.212 -10.137 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.999 -10.147 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.213 -8.779 -6.996 1.00 0.00 H new ATOM 752 N LEU A 50 3.141 -9.503 -1.389 1.00 0.00 N ATOM 753 CA LEU A 50 3.188 -9.381 0.064 1.00 0.00 C ATOM 754 C LEU A 50 1.863 -9.806 0.690 1.00 0.00 C ATOM 755 O LEU A 50 1.836 -10.406 1.763 1.00 0.00 O ATOM 756 CB LEU A 50 3.515 -7.942 0.465 1.00 0.00 C ATOM 757 CG LEU A 50 2.977 -7.483 1.821 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.781 -8.105 2.952 1.00 0.00 C ATOM 759 CD2 LEU A 50 3.001 -5.965 1.919 1.00 0.00 C ATOM 0 H LEU A 50 2.866 -8.649 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 50 3.972 -10.042 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.599 -7.824 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.124 -7.275 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 50 1.943 -7.816 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.384 -7.767 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.711 -9.191 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.825 -7.803 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.615 -5.657 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.025 -5.609 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.380 -5.540 1.130 1.00 0.00 H new ATOM 771 N GLY A 51 0.765 -9.493 0.008 1.00 0.00 N ATOM 772 CA GLY A 51 -0.548 -9.852 0.511 1.00 0.00 C ATOM 773 C GLY A 51 -0.710 -11.348 0.693 1.00 0.00 C ATOM 774 O GLY A 51 -1.255 -11.802 1.698 1.00 0.00 O ATOM 0 H GLY A 51 0.762 -8.997 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.717 -9.353 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.310 -9.488 -0.179 1.00 0.00 H new ATOM 778 N GLU A 52 -0.236 -12.116 -0.284 1.00 0.00 N ATOM 779 CA GLU A 52 -0.335 -13.570 -0.228 1.00 0.00 C ATOM 780 C GLU A 52 0.440 -14.122 0.966 1.00 0.00 C ATOM 781 O GLU A 52 0.109 -15.181 1.499 1.00 0.00 O ATOM 782 CB GLU A 52 0.194 -14.189 -1.523 1.00 0.00 C ATOM 783 CG GLU A 52 1.700 -14.392 -1.531 1.00 0.00 C ATOM 784 CD GLU A 52 2.172 -15.214 -2.714 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.517 -16.228 -3.032 1.00 0.00 O ATOM 786 OE2 GLU A 52 3.198 -14.842 -3.322 1.00 0.00 O ATOM 0 H GLU A 52 0.220 -11.756 -1.122 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.386 -13.833 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.294 -15.150 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.082 -13.549 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.194 -13.420 -1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.001 -14.886 -0.607 1.00 0.00 H new ATOM 793 N THR A 53 1.473 -13.395 1.380 1.00 0.00 N ATOM 794 CA THR A 53 2.296 -13.811 2.509 1.00 0.00 C ATOM 795 C THR A 53 1.514 -13.740 3.816 1.00 0.00 C ATOM 796 O THR A 53 1.665 -14.596 4.688 1.00 0.00 O ATOM 797 CB THR A 53 3.561 -12.941 2.633 1.00 0.00 C ATOM 798 OG1 THR A 53 4.306 -12.983 1.411 1.00 0.00 O ATOM 799 CG2 THR A 53 4.435 -13.418 3.783 1.00 0.00 C ATOM 0 H THR A 53 1.760 -12.515 0.950 1.00 0.00 H new ATOM 0 HA THR A 53 2.591 -14.843 2.321 1.00 0.00 H new ATOM 0 HB THR A 53 3.252 -11.915 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.851 -12.442 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.322 -12.789 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.874 -13.357 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.736 -14.451 3.607 1.00 0.00 H new ATOM 807 N TYR A 54 0.678 -12.716 3.944 1.00 0.00 N ATOM 808 CA TYR A 54 -0.127 -12.533 5.146 1.00 0.00 C ATOM 809 C TYR A 54 -1.616 -12.621 4.823 1.00 0.00 C ATOM 810 O TYR A 54 -2.441 -11.957 5.451 1.00 0.00 O ATOM 811 CB TYR A 54 0.186 -11.183 5.794 1.00 0.00 C ATOM 812 CG TYR A 54 1.656 -10.973 6.075 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.534 -10.611 5.061 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.169 -11.136 7.357 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.878 -10.419 5.313 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.511 -10.945 7.619 1.00 0.00 C ATOM 817 CZ TYR A 54 4.362 -10.587 6.594 1.00 0.00 C ATOM 818 OH TYR A 54 5.700 -10.395 6.850 1.00 0.00 O ATOM 0 H TYR A 54 0.540 -12.000 3.231 1.00 0.00 H new ATOM 0 HA TYR A 54 0.123 -13.331 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.168 -10.385 5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.369 -11.100 6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.158 -10.477 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.506 -11.417 8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.546 -10.139 4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.892 -11.075 8.621 1.00 0.00 H new ATOM 0 HH TYR A 54 5.877 -10.552 7.801 1.00 0.00 H new ATOM 828 N LYS A 55 -1.953 -13.448 3.839 1.00 0.00 N ATOM 829 CA LYS A 55 -3.341 -13.628 3.431 1.00 0.00 C ATOM 830 C LYS A 55 -4.085 -14.527 4.414 1.00 0.00 C ATOM 831 O LYS A 55 -5.287 -14.371 4.625 1.00 0.00 O ATOM 832 CB LYS A 55 -3.408 -14.226 2.025 1.00 0.00 C ATOM 833 CG LYS A 55 -3.150 -15.722 1.987 1.00 0.00 C ATOM 834 CD LYS A 55 -2.977 -16.223 0.563 1.00 0.00 C ATOM 835 CE LYS A 55 -2.046 -17.424 0.504 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.784 -18.706 0.675 1.00 0.00 N ATOM 0 H LYS A 55 -1.283 -14.005 3.309 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.821 -12.650 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.391 -14.025 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.678 -13.724 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.256 -15.952 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.980 -16.247 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.949 -16.494 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.579 -15.422 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.522 -17.431 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.288 -17.335 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.115 -19.501 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.263 -18.710 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.490 -18.804 -0.082 1.00 0.00 H new ATOM 850 N ASP A 56 -3.361 -15.467 5.012 1.00 0.00 N ATOM 851 CA ASP A 56 -3.952 -16.391 5.974 1.00 0.00 C ATOM 852 C ASP A 56 -3.355 -16.183 7.362 1.00 0.00 C ATOM 853 O ASP A 56 -3.384 -17.083 8.203 1.00 0.00 O ATOM 854 CB ASP A 56 -3.737 -17.836 5.524 1.00 0.00 C ATOM 855 CG ASP A 56 -4.506 -18.828 6.375 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.701 -18.580 6.640 1.00 0.00 O ATOM 857 OD2 ASP A 56 -3.913 -19.851 6.776 1.00 0.00 O ATOM 0 H ASP A 56 -2.364 -15.609 4.848 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.022 -16.191 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.045 -17.939 4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.674 -18.072 5.567 1.00 0.00 H new ATOM 862 N HIS A 57 -2.814 -14.992 7.597 1.00 0.00 N ATOM 863 CA HIS A 57 -2.210 -14.666 8.884 1.00 0.00 C ATOM 864 C HIS A 57 -3.253 -14.698 9.997 1.00 0.00 C ATOM 865 O HIS A 57 -4.410 -15.047 9.766 1.00 0.00 O ATOM 866 CB HIS A 57 -1.550 -13.288 8.827 1.00 0.00 C ATOM 867 CG HIS A 57 -0.242 -13.220 9.554 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.135 -12.840 10.875 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.017 -13.488 9.138 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.134 -12.875 11.240 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.854 -13.266 10.204 1.00 0.00 N ATOM 0 H HIS A 57 -2.781 -14.236 6.913 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.449 -15.416 9.101 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.391 -13.013 7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.231 -12.550 9.251 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.309 -13.816 8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.517 -12.626 12.219 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.867 -13.384 10.197 1.00 0.00 H new ATOM 880 N GLU A 58 -2.834 -14.332 11.204 1.00 0.00 N ATOM 881 CA GLU A 58 -3.732 -14.321 12.353 1.00 0.00 C ATOM 882 C GLU A 58 -4.123 -12.893 12.724 1.00 0.00 C ATOM 883 O GLU A 58 -5.276 -12.620 13.055 1.00 0.00 O ATOM 884 CB GLU A 58 -3.074 -15.009 13.550 1.00 0.00 C ATOM 885 CG GLU A 58 -2.016 -14.159 14.235 1.00 0.00 C ATOM 886 CD GLU A 58 -2.602 -13.228 15.278 1.00 0.00 C ATOM 887 OE1 GLU A 58 -3.844 -13.118 15.344 1.00 0.00 O ATOM 888 OE2 GLU A 58 -1.819 -12.610 16.029 1.00 0.00 O ATOM 0 H GLU A 58 -1.879 -14.039 11.412 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.635 -14.868 12.081 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.844 -15.271 14.276 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.619 -15.942 13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.281 -14.811 14.707 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.486 -13.571 13.485 1.00 0.00 H new ATOM 895 N ASN A 59 -3.153 -11.987 12.667 1.00 0.00 N ATOM 896 CA ASN A 59 -3.394 -10.587 12.999 1.00 0.00 C ATOM 897 C ASN A 59 -3.036 -9.681 11.825 1.00 0.00 C ATOM 898 O ASN A 59 -3.614 -8.606 11.659 1.00 0.00 O ATOM 899 CB ASN A 59 -2.584 -10.186 14.233 1.00 0.00 C ATOM 900 CG ASN A 59 -1.094 -10.131 13.953 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.560 -9.088 13.576 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.416 -11.258 14.137 1.00 0.00 N ATOM 0 H ASN A 59 -2.193 -12.197 12.394 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.456 -10.469 13.216 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.921 -9.211 14.585 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.774 -10.898 15.036 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.589 -11.282 13.965 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.900 -12.099 14.451 1.00 0.00 H new ATOM 909 N ILE A 60 -2.081 -10.122 11.013 1.00 0.00 N ATOM 910 CA ILE A 60 -1.648 -9.352 9.854 1.00 0.00 C ATOM 911 C ILE A 60 -2.551 -9.611 8.653 1.00 0.00 C ATOM 912 O ILE A 60 -2.605 -10.725 8.132 1.00 0.00 O ATOM 913 CB ILE A 60 -0.194 -9.683 9.470 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.724 -9.539 10.686 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.273 -8.781 8.337 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.175 -9.844 10.388 1.00 0.00 C ATOM 0 H ILE A 60 -1.592 -11.009 11.137 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.711 -8.300 10.132 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.151 -10.717 9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.647 -8.522 11.071 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.376 -10.206 11.475 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.303 -9.027 8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.367 -8.929 7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.218 -7.740 8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.766 -9.721 11.295 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.265 -10.870 10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.541 -9.160 9.622 1.00 0.00 H new ATOM 928 N VAL A 61 -3.258 -8.573 8.217 1.00 0.00 N ATOM 929 CA VAL A 61 -4.157 -8.686 7.075 1.00 0.00 C ATOM 930 C VAL A 61 -3.879 -7.596 6.046 1.00 0.00 C ATOM 931 O VAL A 61 -4.192 -6.426 6.267 1.00 0.00 O ATOM 932 CB VAL A 61 -5.632 -8.602 7.511 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.493 -8.062 6.379 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.131 -9.964 7.968 1.00 0.00 C ATOM 0 H VAL A 61 -3.225 -7.644 8.638 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.974 -9.661 6.624 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.705 -7.913 8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.532 -8.010 6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.148 -7.065 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.417 -8.724 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.175 -9.886 8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.045 -10.677 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.532 -10.307 8.812 1.00 0.00 H new ATOM 944 N ILE A 62 -3.290 -7.988 4.921 1.00 0.00 N ATOM 945 CA ILE A 62 -2.971 -7.044 3.858 1.00 0.00 C ATOM 946 C ILE A 62 -4.211 -6.695 3.042 1.00 0.00 C ATOM 947 O ILE A 62 -5.054 -7.552 2.778 1.00 0.00 O ATOM 948 CB ILE A 62 -1.890 -7.603 2.913 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.622 -7.944 3.699 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.583 -6.603 1.809 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.066 -6.733 4.290 1.00 0.00 C ATOM 0 H ILE A 62 -3.024 -8.953 4.723 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.590 -6.144 4.340 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.267 -8.517 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.877 -8.635 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.075 -8.463 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.818 -7.012 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.488 -6.405 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.223 -5.674 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.957 -7.049 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.352 -6.051 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.615 -6.225 4.974 1.00 0.00 H new ATOM 963 N ALA A 63 -4.316 -5.431 2.645 1.00 0.00 N ATOM 964 CA ALA A 63 -5.451 -4.969 1.856 1.00 0.00 C ATOM 965 C ALA A 63 -5.058 -3.799 0.961 1.00 0.00 C ATOM 966 O ALA A 63 -4.083 -3.097 1.231 1.00 0.00 O ATOM 967 CB ALA A 63 -6.602 -4.575 2.769 1.00 0.00 C ATOM 0 H ALA A 63 -3.628 -4.708 2.857 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.774 -5.789 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.443 -4.232 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.908 -5.437 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.281 -3.773 3.434 1.00 0.00 H new ATOM 973 N LYS A 64 -5.822 -3.594 -0.107 1.00 0.00 N ATOM 974 CA LYS A 64 -5.555 -2.509 -1.042 1.00 0.00 C ATOM 975 C LYS A 64 -6.831 -1.734 -1.356 1.00 0.00 C ATOM 976 O LYS A 64 -7.915 -2.311 -1.434 1.00 0.00 O ATOM 977 CB LYS A 64 -4.950 -3.060 -2.336 1.00 0.00 C ATOM 978 CG LYS A 64 -5.906 -3.930 -3.132 1.00 0.00 C ATOM 979 CD LYS A 64 -5.308 -4.339 -4.467 1.00 0.00 C ATOM 980 CE LYS A 64 -6.290 -5.158 -5.291 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.631 -5.801 -6.462 1.00 0.00 N ATOM 0 H LYS A 64 -6.632 -4.166 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.843 -1.829 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.626 -2.227 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.060 -3.641 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.154 -4.821 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.837 -3.389 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.018 -3.449 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.401 -4.919 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.741 -5.925 -4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.099 -4.514 -5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.334 -6.350 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.223 -5.068 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.876 -6.435 -6.131 1.00 0.00 H new ATOM 995 N MET A 65 -6.694 -0.424 -1.535 1.00 0.00 N ATOM 996 CA MET A 65 -7.836 0.429 -1.843 1.00 0.00 C ATOM 997 C MET A 65 -7.467 1.475 -2.889 1.00 0.00 C ATOM 998 O MET A 65 -6.329 1.942 -2.940 1.00 0.00 O ATOM 999 CB MET A 65 -8.342 1.116 -0.573 1.00 0.00 C ATOM 1000 CG MET A 65 -9.737 1.703 -0.716 1.00 0.00 C ATOM 1001 SD MET A 65 -10.457 2.177 0.868 1.00 0.00 S ATOM 1002 CE MET A 65 -10.814 3.908 0.574 1.00 0.00 C ATOM 0 H MET A 65 -5.804 0.070 -1.472 1.00 0.00 H new ATOM 0 HA MET A 65 -8.629 -0.199 -2.249 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.342 0.396 0.245 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.648 1.911 -0.298 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.695 2.576 -1.367 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.386 0.974 -1.202 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.852 4.438 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.032 4.340 -0.051 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.775 4.000 0.068 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.435 1.839 -3.722 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.212 2.831 -4.768 1.00 0.00 C ATOM 1014 C ASP A 66 -8.655 4.216 -4.306 1.00 0.00 C ATOM 1015 O ASP A 66 -9.845 4.531 -4.309 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.964 2.440 -6.041 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.834 3.483 -7.134 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -8.015 4.411 -6.972 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -9.552 3.371 -8.150 1.00 0.00 O ATOM 0 H ASP A 66 -9.382 1.462 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.144 2.863 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.583 1.486 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.018 2.293 -5.806 1.00 0.00 H new ATOM 1024 N SER A 67 -7.690 5.039 -3.909 1.00 0.00 N ATOM 1025 CA SER A 67 -7.981 6.388 -3.439 1.00 0.00 C ATOM 1026 C SER A 67 -8.585 7.234 -4.556 1.00 0.00 C ATOM 1027 O SER A 67 -9.217 8.259 -4.303 1.00 0.00 O ATOM 1028 CB SER A 67 -6.707 7.053 -2.913 1.00 0.00 C ATOM 1029 OG SER A 67 -7.008 8.004 -1.906 1.00 0.00 O ATOM 0 H SER A 67 -6.700 4.795 -3.903 1.00 0.00 H new ATOM 0 HA SER A 67 -8.706 6.315 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.035 6.294 -2.512 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.182 7.541 -3.734 1.00 0.00 H new ATOM 0 HG SER A 67 -7.804 8.514 -2.165 1.00 0.00 H new ATOM 1035 N THR A 68 -8.385 6.795 -5.796 1.00 0.00 N ATOM 1036 CA THR A 68 -8.909 7.511 -6.953 1.00 0.00 C ATOM 1037 C THR A 68 -10.332 7.069 -7.274 1.00 0.00 C ATOM 1038 O THR A 68 -11.048 7.742 -8.015 1.00 0.00 O ATOM 1039 CB THR A 68 -8.023 7.294 -8.194 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.344 6.043 -8.813 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.549 7.316 -7.818 1.00 0.00 C ATOM 0 H THR A 68 -7.864 5.948 -6.024 1.00 0.00 H new ATOM 0 HA THR A 68 -8.910 8.570 -6.697 1.00 0.00 H new ATOM 0 HB THR A 68 -8.215 8.106 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.049 5.308 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.943 7.161 -8.711 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.301 8.280 -7.375 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.345 6.523 -7.099 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.736 5.935 -6.712 1.00 0.00 N ATOM 1050 CA ALA A 69 -12.076 5.406 -6.937 1.00 0.00 C ATOM 1051 C ALA A 69 -12.907 5.455 -5.660 1.00 0.00 C ATOM 1052 O ALA A 69 -14.135 5.389 -5.705 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.998 3.981 -7.465 1.00 0.00 C ATOM 0 H ALA A 69 -10.155 5.365 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.567 6.032 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.005 3.598 -7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.449 3.971 -8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.484 3.351 -6.739 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.230 5.570 -4.522 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.907 5.626 -3.232 1.00 0.00 C ATOM 1061 C ASN A 70 -12.270 6.679 -2.329 1.00 0.00 C ATOM 1062 O ASN A 70 -11.047 6.785 -2.251 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.863 4.258 -2.549 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.401 3.152 -3.436 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.614 2.993 -3.581 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.500 2.380 -4.033 1.00 0.00 N ATOM 0 H ASN A 70 -11.213 5.626 -4.467 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.947 5.903 -3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.835 4.028 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.444 4.296 -1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.803 1.619 -4.641 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.505 2.548 -3.884 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.110 7.453 -1.649 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.628 8.497 -0.751 1.00 0.00 C ATOM 1075 C GLU A 71 -13.256 8.356 0.633 1.00 0.00 C ATOM 1076 O GLU A 71 -14.428 8.001 0.762 1.00 0.00 O ATOM 1077 CB GLU A 71 -12.941 9.879 -1.327 1.00 0.00 C ATOM 1078 CG GLU A 71 -11.939 10.947 -0.924 1.00 0.00 C ATOM 1079 CD GLU A 71 -12.250 12.300 -1.534 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -13.426 12.718 -1.483 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -11.317 12.941 -2.062 1.00 0.00 O ATOM 0 H GLU A 71 -14.126 7.377 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.548 8.388 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.970 9.812 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.935 10.183 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.927 11.037 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.940 10.636 -1.229 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.467 8.637 1.665 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.944 8.544 3.040 1.00 0.00 C ATOM 1090 C VAL A 72 -12.313 9.621 3.915 1.00 0.00 C ATOM 1091 O VAL A 72 -11.136 9.944 3.765 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.640 7.161 3.646 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.474 6.085 2.969 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.156 6.846 3.534 1.00 0.00 C ATOM 0 H VAL A 72 -11.494 8.931 1.575 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.024 8.691 3.012 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.906 7.181 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.245 5.115 3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.533 6.305 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.243 6.062 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.959 5.865 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.862 6.845 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.582 7.602 4.070 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.106 10.172 4.829 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.624 11.214 5.728 1.00 0.00 C ATOM 1106 C GLU A 73 -11.653 10.639 6.756 1.00 0.00 C ATOM 1107 O GLU A 73 -10.704 11.304 7.168 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.799 11.886 6.441 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.511 10.979 7.430 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.341 11.751 8.437 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -14.748 12.487 9.254 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.582 11.619 8.410 1.00 0.00 O ATOM 0 H GLU A 73 -14.083 9.915 4.966 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.096 11.958 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.437 12.769 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.516 12.231 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.156 10.290 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.774 10.375 7.959 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.899 9.399 7.165 1.00 0.00 N ATOM 1120 CA ALA A 74 -11.047 8.733 8.142 1.00 0.00 C ATOM 1121 C ALA A 74 -9.613 8.624 7.636 1.00 0.00 C ATOM 1122 O ALA A 74 -8.689 8.372 8.409 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.599 7.354 8.472 1.00 0.00 C ATOM 0 H ALA A 74 -12.682 8.835 6.835 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.039 9.335 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.952 6.869 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.603 7.453 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.638 6.751 7.565 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.434 8.815 6.333 1.00 0.00 N ATOM 1130 CA VAL A 75 -8.112 8.738 5.723 1.00 0.00 C ATOM 1131 C VAL A 75 -7.997 9.689 4.537 1.00 0.00 C ATOM 1132 O VAL A 75 -8.654 9.504 3.512 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.794 7.306 5.252 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.684 7.321 4.211 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.415 6.428 6.435 1.00 0.00 C ATOM 0 H VAL A 75 -10.188 9.024 5.679 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.393 9.029 6.489 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.688 6.887 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.473 6.301 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.999 7.914 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.785 7.759 4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.194 5.420 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.535 6.842 6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.244 6.392 7.142 1.00 0.00 H new ATOM 1145 N LYS A 76 -7.158 10.709 4.683 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.954 11.690 3.624 1.00 0.00 C ATOM 1147 C LYS A 76 -5.630 11.450 2.907 1.00 0.00 C ATOM 1148 O LYS A 76 -4.560 11.734 3.446 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.985 13.107 4.201 1.00 0.00 C ATOM 1150 CG LYS A 76 -8.388 13.645 4.421 1.00 0.00 C ATOM 1151 CD LYS A 76 -9.032 14.073 3.113 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.550 14.032 3.200 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.071 14.954 4.247 1.00 0.00 N ATOM 0 H LYS A 76 -6.608 10.878 5.525 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.762 11.581 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.449 13.115 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.450 13.776 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.002 12.880 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.350 14.494 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.708 15.083 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.695 13.419 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.976 14.302 2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.874 13.014 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.111 14.960 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.753 14.631 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.714 15.915 4.072 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.708 10.925 1.688 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.516 10.649 0.896 1.00 0.00 C ATOM 1169 C VAL A 77 -4.324 11.699 -0.193 1.00 0.00 C ATOM 1170 O VAL A 77 -5.116 11.786 -1.132 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.585 9.255 0.244 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.247 8.891 -0.380 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -5.008 8.210 1.266 1.00 0.00 C ATOM 0 H VAL A 77 -6.585 10.682 1.228 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.668 10.680 1.580 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.333 9.280 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.315 7.903 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.989 9.626 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.476 8.883 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.052 7.231 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.285 8.184 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.991 8.465 1.662 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.267 12.494 -0.061 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.970 13.538 -1.036 1.00 0.00 C ATOM 1185 C HIS A 78 -1.734 13.181 -1.855 1.00 0.00 C ATOM 1186 O HIS A 78 -1.038 14.061 -2.362 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.760 14.878 -0.330 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.931 15.310 0.498 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -5.237 15.192 0.073 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -3.987 15.860 1.733 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -6.046 15.653 1.010 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.312 16.064 2.028 1.00 0.00 N ATOM 0 H HIS A 78 -2.602 12.436 0.711 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.820 13.622 -1.713 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.880 14.808 0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.552 15.644 -1.077 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.146 16.095 2.368 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.124 15.688 0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.671 16.468 2.893 1.00 0.00 H new ATOM 1201 N SER A 79 -1.466 11.885 -1.979 1.00 0.00 N ATOM 1202 CA SER A 79 -0.311 11.412 -2.733 1.00 0.00 C ATOM 1203 C SER A 79 -0.388 9.905 -2.957 1.00 0.00 C ATOM 1204 O SER A 79 -1.161 9.207 -2.300 1.00 0.00 O ATOM 1205 CB SER A 79 0.984 11.764 -1.997 1.00 0.00 C ATOM 1206 OG SER A 79 1.449 13.049 -2.370 1.00 0.00 O ATOM 0 H SER A 79 -2.033 11.144 -1.567 1.00 0.00 H new ATOM 0 HA SER A 79 -0.315 11.907 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.814 11.734 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.747 11.019 -2.220 1.00 0.00 H new ATOM 0 HG SER A 79 0.684 13.646 -2.508 1.00 0.00 H new ATOM 1212 N PHE A 80 0.419 9.409 -3.889 1.00 0.00 N ATOM 1213 CA PHE A 80 0.442 7.985 -4.202 1.00 0.00 C ATOM 1214 C PHE A 80 1.735 7.606 -4.917 1.00 0.00 C ATOM 1215 O PHE A 80 2.350 8.416 -5.613 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.762 7.612 -5.069 1.00 0.00 C ATOM 1217 CG PHE A 80 -2.042 8.266 -4.632 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.787 7.734 -3.593 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.499 9.413 -5.261 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.965 8.334 -3.188 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.675 10.018 -4.861 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.410 9.477 -3.824 1.00 0.00 C ATOM 0 H PHE A 80 1.066 9.972 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 80 0.391 7.432 -3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.556 7.891 -6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.892 6.530 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.444 6.840 -3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.929 9.839 -6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.536 7.910 -2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.019 10.913 -5.358 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.331 9.947 -3.511 1.00 0.00 H new ATOM 1232 N PRO A 81 2.160 6.346 -4.743 1.00 0.00 N ATOM 1233 CA PRO A 81 1.437 5.374 -3.917 1.00 0.00 C ATOM 1234 C PRO A 81 1.511 5.709 -2.431 1.00 0.00 C ATOM 1235 O PRO A 81 2.525 6.212 -1.946 1.00 0.00 O ATOM 1236 CB PRO A 81 2.161 4.057 -4.205 1.00 0.00 C ATOM 1237 CG PRO A 81 3.533 4.461 -4.621 1.00 0.00 C ATOM 1238 CD PRO A 81 3.379 5.773 -5.338 1.00 0.00 C ATOM 0 HA PRO A 81 0.373 5.351 -4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.187 3.419 -3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.659 3.493 -4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.189 4.564 -3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.980 3.710 -5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.243 6.419 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.274 5.633 -6.414 1.00 0.00 H new ATOM 1246 N THR A 82 0.429 5.425 -1.711 1.00 0.00 N ATOM 1247 CA THR A 82 0.371 5.696 -0.280 1.00 0.00 C ATOM 1248 C THR A 82 -0.002 4.442 0.502 1.00 0.00 C ATOM 1249 O THR A 82 -0.923 3.715 0.127 1.00 0.00 O ATOM 1250 CB THR A 82 -0.646 6.809 0.040 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.135 8.076 -0.388 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.947 6.854 1.530 1.00 0.00 C ATOM 0 H THR A 82 -0.418 5.008 -2.096 1.00 0.00 H new ATOM 0 HA THR A 82 1.366 6.026 0.020 1.00 0.00 H new ATOM 0 HB THR A 82 -1.571 6.592 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.475 8.280 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.667 7.647 1.732 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.363 5.897 1.846 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.027 7.050 2.081 1.00 0.00 H new ATOM 1260 N LEU A 83 0.718 4.194 1.591 1.00 0.00 N ATOM 1261 CA LEU A 83 0.461 3.027 2.427 1.00 0.00 C ATOM 1262 C LEU A 83 0.081 3.446 3.844 1.00 0.00 C ATOM 1263 O LEU A 83 0.716 4.319 4.437 1.00 0.00 O ATOM 1264 CB LEU A 83 1.693 2.121 2.464 1.00 0.00 C ATOM 1265 CG LEU A 83 2.356 1.834 1.116 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.599 0.978 1.304 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.374 1.153 0.174 1.00 0.00 C ATOM 0 H LEU A 83 1.484 4.785 1.915 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.374 2.477 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.434 2.576 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.407 1.171 2.915 1.00 0.00 H new ATOM 0 HG LEU A 83 2.658 2.782 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.057 0.784 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.309 1.503 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.322 0.032 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.862 0.956 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.042 0.212 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.513 1.802 0.014 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.957 2.815 4.383 1.00 0.00 N ATOM 1280 CA LYS A 84 -1.420 3.119 5.732 1.00 0.00 C ATOM 1281 C LYS A 84 -1.589 1.842 6.550 1.00 0.00 C ATOM 1282 O LYS A 84 -2.269 0.907 6.126 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.746 3.881 5.678 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.651 5.218 4.963 1.00 0.00 C ATOM 1285 CD LYS A 84 -3.640 6.224 5.526 1.00 0.00 C ATOM 1286 CE LYS A 84 -3.381 7.622 4.987 1.00 0.00 C ATOM 1287 NZ LYS A 84 -3.827 8.676 5.941 1.00 0.00 N ATOM 0 H LYS A 84 -1.493 2.090 3.906 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.668 3.743 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.491 3.263 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.102 4.047 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.638 5.610 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.841 5.077 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.655 5.918 5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.571 6.234 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.317 7.742 4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.902 7.747 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.538 9.281 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.244 8.229 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.011 9.255 6.225 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.966 1.810 7.723 1.00 0.00 N ATOM 1302 CA PHE A 85 -1.047 0.648 8.600 1.00 0.00 C ATOM 1303 C PHE A 85 -2.052 0.884 9.724 1.00 0.00 C ATOM 1304 O PHE A 85 -1.912 1.823 10.509 1.00 0.00 O ATOM 1305 CB PHE A 85 0.329 0.329 9.189 1.00 0.00 C ATOM 1306 CG PHE A 85 0.297 -0.742 10.241 1.00 0.00 C ATOM 1307 CD1 PHE A 85 -0.030 -0.435 11.552 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.594 -2.057 9.919 1.00 0.00 C ATOM 1309 CE1 PHE A 85 -0.060 -1.419 12.522 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.565 -3.045 10.885 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.238 -2.725 12.189 1.00 0.00 C ATOM 0 H PHE A 85 -0.399 2.575 8.088 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.385 -0.201 8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.996 0.018 8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.751 1.237 9.619 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.264 0.585 11.819 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.851 -2.313 8.902 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.317 -1.166 13.540 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.798 -4.066 10.621 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.216 -3.495 12.946 1.00 0.00 H new ATOM 1321 N PHE A 86 -3.064 0.027 9.795 1.00 0.00 N ATOM 1322 CA PHE A 86 -4.093 0.142 10.822 1.00 0.00 C ATOM 1323 C PHE A 86 -3.854 -0.861 11.947 1.00 0.00 C ATOM 1324 O PHE A 86 -4.040 -2.067 11.787 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.479 -0.079 10.212 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.822 0.904 9.130 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -5.259 0.792 7.869 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.707 1.942 9.375 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -5.573 1.695 6.871 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -7.025 2.848 8.381 1.00 0.00 C ATOM 1331 CZ PHE A 86 -6.456 2.726 7.128 1.00 0.00 C ATOM 0 H PHE A 86 -3.194 -0.755 9.154 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.043 1.148 11.240 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.531 -1.089 9.804 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.229 -0.015 11.001 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.566 -0.011 7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.153 2.044 10.353 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.129 1.595 5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.718 3.651 8.584 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.701 3.435 6.351 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.431 -0.351 13.113 1.00 0.00 N ATOM 1342 CA PRO A 87 -3.157 -1.183 14.288 1.00 0.00 C ATOM 1343 C PRO A 87 -4.429 -1.769 14.893 1.00 0.00 C ATOM 1344 O PRO A 87 -5.538 -1.407 14.501 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.499 -0.209 15.268 1.00 0.00 C ATOM 1346 CG PRO A 87 -3.007 1.133 14.867 1.00 0.00 C ATOM 1347 CD PRO A 87 -3.189 1.078 13.375 1.00 0.00 C ATOM 0 HA PRO A 87 -2.536 -2.044 14.041 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.768 -0.442 16.298 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.412 -0.256 15.203 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.949 1.359 15.367 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.302 1.916 15.146 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.027 1.694 13.050 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.305 1.439 12.849 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.260 -2.675 15.851 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.395 -3.309 16.511 1.00 0.00 C ATOM 1357 C ALA A 88 -5.957 -2.416 17.612 1.00 0.00 C ATOM 1358 O ALA A 88 -6.290 -2.890 18.699 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.987 -4.659 17.080 1.00 0.00 C ATOM 0 H ALA A 88 -3.349 -2.986 16.187 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.178 -3.462 15.768 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.844 -5.121 17.570 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.639 -5.304 16.273 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.185 -4.521 17.805 1.00 0.00 H new ATOM 1422 N THR A 93 -7.185 4.599 14.746 1.00 0.00 N ATOM 1423 CA THR A 93 -5.860 5.165 14.529 1.00 0.00 C ATOM 1424 C THR A 93 -5.224 4.605 13.262 1.00 0.00 C ATOM 1425 O THR A 93 -5.415 3.437 12.923 1.00 0.00 O ATOM 1426 CB THR A 93 -4.927 4.888 15.723 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.427 5.540 16.896 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.515 5.371 15.431 1.00 0.00 C ATOM 0 HA THR A 93 -5.991 6.242 14.422 1.00 0.00 H new ATOM 0 HB THR A 93 -4.897 3.811 15.890 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.404 5.466 16.920 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.875 5.164 16.289 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.127 4.851 14.555 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.530 6.444 15.240 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.465 5.445 12.565 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.799 5.032 11.335 1.00 0.00 C ATOM 1438 C VAL A 94 -2.325 5.424 11.351 1.00 0.00 C ATOM 1439 O VAL A 94 -1.987 6.599 11.492 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.471 5.654 10.097 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.615 5.436 8.858 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.864 5.076 9.901 1.00 0.00 C ATOM 0 H VAL A 94 -4.296 6.415 12.831 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.883 3.947 11.278 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.567 6.728 10.258 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.106 5.882 7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.640 5.902 9.003 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.484 4.367 8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.324 5.527 9.022 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.794 3.997 9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.473 5.289 10.779 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.454 4.432 11.204 1.00 0.00 N ATOM 1453 CA ILE A 95 -0.016 4.673 11.199 1.00 0.00 C ATOM 1454 C ILE A 95 0.487 4.966 9.790 1.00 0.00 C ATOM 1455 O ILE A 95 0.027 4.367 8.818 1.00 0.00 O ATOM 1456 CB ILE A 95 0.758 3.470 11.770 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.357 3.221 13.225 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.257 3.706 11.661 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.088 2.061 13.863 1.00 0.00 C ATOM 0 H ILE A 95 -1.718 3.454 11.087 1.00 0.00 H new ATOM 0 HA ILE A 95 0.161 5.542 11.833 1.00 0.00 H new ATOM 0 HB ILE A 95 0.505 2.584 11.187 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.548 4.124 13.806 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.716 3.033 13.271 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.791 2.848 12.068 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.529 3.839 10.614 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.526 4.601 12.222 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.754 1.943 14.894 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.877 1.148 13.306 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.160 2.255 13.849 1.00 0.00 H new ATOM 1471 N ASP A 96 1.437 5.889 9.687 1.00 0.00 N ATOM 1472 CA ASP A 96 2.007 6.260 8.397 1.00 0.00 C ATOM 1473 C ASP A 96 3.238 5.415 8.083 1.00 0.00 C ATOM 1474 O ASP A 96 4.208 5.408 8.841 1.00 0.00 O ATOM 1475 CB ASP A 96 2.375 7.744 8.386 1.00 0.00 C ATOM 1476 CG ASP A 96 3.206 8.143 9.589 1.00 0.00 C ATOM 1477 OD1 ASP A 96 2.748 7.916 10.729 1.00 0.00 O ATOM 1478 OD2 ASP A 96 4.315 8.683 9.392 1.00 0.00 O ATOM 0 H ASP A 96 1.829 6.394 10.482 1.00 0.00 H new ATOM 0 HA ASP A 96 1.256 6.074 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.928 7.972 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.463 8.341 8.363 1.00 0.00 H new ATOM 1483 N TYR A 97 3.190 4.702 6.963 1.00 0.00 N ATOM 1484 CA TYR A 97 4.300 3.851 6.551 1.00 0.00 C ATOM 1485 C TYR A 97 5.355 4.657 5.801 1.00 0.00 C ATOM 1486 O TYR A 97 5.079 5.239 4.753 1.00 0.00 O ATOM 1487 CB TYR A 97 3.793 2.708 5.670 1.00 0.00 C ATOM 1488 CG TYR A 97 4.870 1.722 5.279 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.622 1.906 4.125 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.135 0.605 6.062 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.607 1.008 3.763 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.119 -0.298 5.708 1.00 0.00 C ATOM 1493 CZ TYR A 97 6.852 -0.093 4.558 1.00 0.00 C ATOM 1494 OH TYR A 97 7.832 -0.991 4.202 1.00 0.00 O ATOM 0 H TYR A 97 2.395 4.696 6.324 1.00 0.00 H new ATOM 0 HA TYR A 97 4.758 3.434 7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.001 2.177 6.198 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.349 3.126 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.433 2.766 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.562 0.440 6.963 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.182 1.167 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.313 -1.160 6.329 1.00 0.00 H new ATOM 0 HH TYR A 97 7.473 -1.623 3.544 1.00 0.00 H new ATOM 1504 N ASN A 98 6.567 4.684 6.345 1.00 0.00 N ATOM 1505 CA ASN A 98 7.666 5.418 5.728 1.00 0.00 C ATOM 1506 C ASN A 98 8.932 4.568 5.687 1.00 0.00 C ATOM 1507 O ASN A 98 9.946 4.916 6.290 1.00 0.00 O ATOM 1508 CB ASN A 98 7.934 6.715 6.494 1.00 0.00 C ATOM 1509 CG ASN A 98 7.705 6.564 7.986 1.00 0.00 C ATOM 1510 OD1 ASN A 98 8.653 6.429 8.760 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.442 6.586 8.396 1.00 0.00 N ATOM 0 H ASN A 98 6.813 4.206 7.212 1.00 0.00 H new ATOM 0 HA ASN A 98 7.379 5.661 4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.962 7.032 6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.287 7.502 6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.226 6.489 9.388 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.688 6.700 7.719 1.00 0.00 H new ATOM 1518 N GLY A 99 8.865 3.451 4.969 1.00 0.00 N ATOM 1519 CA GLY A 99 10.013 2.569 4.861 1.00 0.00 C ATOM 1520 C GLY A 99 10.533 2.466 3.441 1.00 0.00 C ATOM 1521 O GLY A 99 10.397 3.402 2.654 1.00 0.00 O ATOM 0 H GLY A 99 8.037 3.141 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.809 2.933 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.739 1.576 5.217 1.00 0.00 H new ATOM 1525 N GLU A 100 11.132 1.325 3.113 1.00 0.00 N ATOM 1526 CA GLU A 100 11.677 1.105 1.778 1.00 0.00 C ATOM 1527 C GLU A 100 10.560 0.862 0.768 1.00 0.00 C ATOM 1528 O GLU A 100 10.774 0.942 -0.442 1.00 0.00 O ATOM 1529 CB GLU A 100 12.641 -0.083 1.786 1.00 0.00 C ATOM 1530 CG GLU A 100 12.238 -1.187 2.749 1.00 0.00 C ATOM 1531 CD GLU A 100 12.842 -1.007 4.128 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.062 0.153 4.534 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.094 -2.028 4.803 1.00 0.00 O ATOM 0 H GLU A 100 11.252 0.540 3.753 1.00 0.00 H new ATOM 0 HA GLU A 100 12.221 2.002 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.704 -0.496 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.638 0.271 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.152 -1.212 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.549 -2.150 2.343 1.00 0.00 H new ATOM 1540 N ARG A 101 9.368 0.563 1.273 1.00 0.00 N ATOM 1541 CA ARG A 101 8.217 0.306 0.416 1.00 0.00 C ATOM 1542 C ARG A 101 8.474 -0.891 -0.495 1.00 0.00 C ATOM 1543 O ARG A 101 8.085 -0.892 -1.663 1.00 0.00 O ATOM 1544 CB ARG A 101 7.895 1.541 -0.427 1.00 0.00 C ATOM 1545 CG ARG A 101 6.435 1.636 -0.837 1.00 0.00 C ATOM 1546 CD ARG A 101 6.183 2.841 -1.729 1.00 0.00 C ATOM 1547 NE ARG A 101 5.896 4.045 -0.953 1.00 0.00 N ATOM 1548 CZ ARG A 101 6.836 4.847 -0.465 1.00 0.00 C ATOM 1549 NH1 ARG A 101 8.117 4.574 -0.671 1.00 0.00 N ATOM 1550 NH2 ARG A 101 6.496 5.924 0.231 1.00 0.00 N ATOM 0 H ARG A 101 9.174 0.493 2.272 1.00 0.00 H new ATOM 0 HA ARG A 101 7.364 0.079 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.164 2.435 0.136 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.515 1.530 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.144 0.726 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.810 1.704 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.056 3.015 -2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.346 2.631 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 101 4.920 4.283 -0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 101 8.383 3.747 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 101 8.837 5.191 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.512 6.137 0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.219 6.539 0.605 1.00 0.00 H new ATOM 1564 N THR A 102 9.134 -1.910 0.048 1.00 0.00 N ATOM 1565 CA THR A 102 9.445 -3.112 -0.715 1.00 0.00 C ATOM 1566 C THR A 102 8.771 -4.338 -0.109 1.00 0.00 C ATOM 1567 O THR A 102 8.342 -4.316 1.045 1.00 0.00 O ATOM 1568 CB THR A 102 10.965 -3.357 -0.783 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.497 -3.500 0.539 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.666 -2.211 -1.497 1.00 0.00 C ATOM 0 H THR A 102 9.463 -1.926 1.013 1.00 0.00 H new ATOM 0 HA THR A 102 9.064 -2.953 -1.724 1.00 0.00 H new ATOM 0 HB THR A 102 11.139 -4.274 -1.345 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.463 -3.657 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.738 -2.406 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.279 -2.124 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.484 -1.281 -0.958 1.00 0.00 H new ATOM 1578 N LEU A 103 8.681 -5.406 -0.893 1.00 0.00 N ATOM 1579 CA LEU A 103 8.059 -6.643 -0.433 1.00 0.00 C ATOM 1580 C LEU A 103 8.674 -7.105 0.884 1.00 0.00 C ATOM 1581 O LEU A 103 7.961 -7.421 1.836 1.00 0.00 O ATOM 1582 CB LEU A 103 8.211 -7.738 -1.491 1.00 0.00 C ATOM 1583 CG LEU A 103 7.721 -9.130 -1.092 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.223 -9.113 -0.831 1.00 0.00 C ATOM 1585 CD2 LEU A 103 8.065 -10.146 -2.171 1.00 0.00 C ATOM 0 H LEU A 103 9.031 -5.441 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 103 6.999 -6.448 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.672 -7.428 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.264 -7.810 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 103 8.226 -9.423 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.892 -10.112 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.002 -8.415 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.700 -8.799 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.709 -11.131 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.587 -9.858 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.146 -10.178 -2.310 1.00 0.00 H new ATOM 1597 N ASP A 104 10.001 -7.138 0.932 1.00 0.00 N ATOM 1598 CA ASP A 104 10.713 -7.557 2.134 1.00 0.00 C ATOM 1599 C ASP A 104 10.652 -6.474 3.207 1.00 0.00 C ATOM 1600 O ASP A 104 10.554 -6.770 4.397 1.00 0.00 O ATOM 1601 CB ASP A 104 12.170 -7.883 1.802 1.00 0.00 C ATOM 1602 CG ASP A 104 12.752 -8.936 2.724 1.00 0.00 C ATOM 1603 OD1 ASP A 104 11.985 -9.801 3.197 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.975 -8.896 2.973 1.00 0.00 O ATOM 0 H ASP A 104 10.606 -6.880 0.152 1.00 0.00 H new ATOM 0 HA ASP A 104 10.228 -8.453 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.236 -8.231 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.767 -6.974 1.871 1.00 0.00 H new ATOM 1609 N GLY A 105 10.713 -5.218 2.776 1.00 0.00 N ATOM 1610 CA GLY A 105 10.665 -4.110 3.713 1.00 0.00 C ATOM 1611 C GLY A 105 9.356 -4.052 4.475 1.00 0.00 C ATOM 1612 O GLY A 105 9.324 -3.649 5.638 1.00 0.00 O ATOM 0 H GLY A 105 10.795 -4.948 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.490 -4.200 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.809 -3.174 3.172 1.00 0.00 H new ATOM 1616 N PHE A 106 8.272 -4.452 3.818 1.00 0.00 N ATOM 1617 CA PHE A 106 6.953 -4.441 4.440 1.00 0.00 C ATOM 1618 C PHE A 106 6.883 -5.449 5.583 1.00 0.00 C ATOM 1619 O PHE A 106 6.383 -5.144 6.666 1.00 0.00 O ATOM 1620 CB PHE A 106 5.874 -4.754 3.402 1.00 0.00 C ATOM 1621 CG PHE A 106 5.756 -3.711 2.328 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.676 -2.367 2.654 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.725 -4.075 0.991 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.566 -1.406 1.667 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.616 -3.118 -0.001 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.538 -1.782 0.338 1.00 0.00 C ATOM 0 H PHE A 106 8.281 -4.788 2.855 1.00 0.00 H new ATOM 0 HA PHE A 106 6.778 -3.445 4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.094 -5.717 2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.913 -4.855 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.700 -2.067 3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.787 -5.119 0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.502 -0.362 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.592 -3.415 -1.039 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.455 -1.032 -0.435 1.00 0.00 H new ATOM 1636 N LYS A 107 7.387 -6.653 5.335 1.00 0.00 N ATOM 1637 CA LYS A 107 7.383 -7.708 6.341 1.00 0.00 C ATOM 1638 C LYS A 107 8.043 -7.231 7.631 1.00 0.00 C ATOM 1639 O LYS A 107 7.573 -7.532 8.729 1.00 0.00 O ATOM 1640 CB LYS A 107 8.108 -8.948 5.813 1.00 0.00 C ATOM 1641 CG LYS A 107 7.610 -9.412 4.455 1.00 0.00 C ATOM 1642 CD LYS A 107 7.969 -10.865 4.196 1.00 0.00 C ATOM 1643 CE LYS A 107 8.147 -11.139 2.711 1.00 0.00 C ATOM 1644 NZ LYS A 107 6.873 -11.569 2.069 1.00 0.00 N ATOM 0 H LYS A 107 7.804 -6.923 4.444 1.00 0.00 H new ATOM 0 HA LYS A 107 6.346 -7.966 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.175 -8.734 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.991 -9.760 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.528 -9.288 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.041 -8.785 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.889 -11.114 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.187 -11.511 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.517 -10.240 2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.903 -11.912 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.916 -11.374 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.734 -12.588 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.079 -11.045 2.488 1.00 0.00 H new ATOM 1658 N LYS A 108 9.134 -6.486 7.492 1.00 0.00 N ATOM 1659 CA LYS A 108 9.857 -5.964 8.646 1.00 0.00 C ATOM 1660 C LYS A 108 8.972 -5.032 9.467 1.00 0.00 C ATOM 1661 O LYS A 108 8.955 -5.099 10.696 1.00 0.00 O ATOM 1662 CB LYS A 108 11.115 -5.221 8.192 1.00 0.00 C ATOM 1663 CG LYS A 108 11.921 -5.972 7.146 1.00 0.00 C ATOM 1664 CD LYS A 108 13.351 -5.465 7.073 1.00 0.00 C ATOM 1665 CE LYS A 108 14.154 -5.882 8.296 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.579 -5.462 8.194 1.00 0.00 N ATOM 0 H LYS A 108 9.537 -6.230 6.591 1.00 0.00 H new ATOM 0 HA LYS A 108 10.147 -6.807 9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.828 -4.250 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.748 -5.032 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.923 -7.036 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.445 -5.863 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.830 -5.852 6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.349 -4.378 6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.709 -5.443 9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.102 -6.964 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.092 -5.765 9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.011 -5.901 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.631 -4.427 8.108 1.00 0.00 H new ATOM 1680 N PHE A 109 8.236 -4.165 8.780 1.00 0.00 N ATOM 1681 CA PHE A 109 7.348 -3.219 9.446 1.00 0.00 C ATOM 1682 C PHE A 109 6.213 -3.949 10.160 1.00 0.00 C ATOM 1683 O PHE A 109 5.891 -3.646 11.310 1.00 0.00 O ATOM 1684 CB PHE A 109 6.774 -2.226 8.434 1.00 0.00 C ATOM 1685 CG PHE A 109 5.858 -1.206 9.048 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.372 -0.091 9.690 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.482 -1.363 8.983 1.00 0.00 C ATOM 1688 CE1 PHE A 109 5.531 0.848 10.257 1.00 0.00 C ATOM 1689 CE2 PHE A 109 3.637 -0.426 9.547 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.162 0.681 10.184 1.00 0.00 C ATOM 0 H PHE A 109 8.237 -4.098 7.762 1.00 0.00 H new ATOM 0 HA PHE A 109 7.930 -2.674 10.189 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.596 -1.711 7.936 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.230 -2.776 7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.442 0.046 9.748 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.066 -2.227 8.486 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.944 1.712 10.757 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.567 -0.559 9.490 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.503 1.415 10.624 1.00 0.00 H new ATOM 1700 N LEU A 110 5.611 -4.911 9.470 1.00 0.00 N ATOM 1701 CA LEU A 110 4.511 -5.685 10.036 1.00 0.00 C ATOM 1702 C LEU A 110 4.996 -6.556 11.190 1.00 0.00 C ATOM 1703 O LEU A 110 4.553 -6.399 12.327 1.00 0.00 O ATOM 1704 CB LEU A 110 3.868 -6.558 8.958 1.00 0.00 C ATOM 1705 CG LEU A 110 3.290 -5.818 7.751 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.100 -6.771 6.581 1.00 0.00 C ATOM 1707 CD2 LEU A 110 1.973 -5.150 8.116 1.00 0.00 C ATOM 0 H LEU A 110 5.866 -5.174 8.518 1.00 0.00 H new ATOM 0 HA LEU A 110 3.767 -4.987 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.614 -7.268 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.070 -7.140 9.419 1.00 0.00 H new ATOM 0 HG LEU A 110 3.996 -5.044 7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.688 -6.226 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.062 -7.203 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.414 -7.568 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.576 -4.628 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.259 -5.907 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.139 -4.436 8.923 1.00 0.00 H new ATOM 1719 N GLU A 111 5.910 -7.473 10.889 1.00 0.00 N ATOM 1720 CA GLU A 111 6.456 -8.368 11.902 1.00 0.00 C ATOM 1721 C GLU A 111 6.679 -7.629 13.218 1.00 0.00 C ATOM 1722 O GLU A 111 6.413 -8.162 14.295 1.00 0.00 O ATOM 1723 CB GLU A 111 7.773 -8.980 11.419 1.00 0.00 C ATOM 1724 CG GLU A 111 7.591 -10.076 10.383 1.00 0.00 C ATOM 1725 CD GLU A 111 8.687 -11.122 10.442 1.00 0.00 C ATOM 1726 OE1 GLU A 111 8.754 -11.857 11.449 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.478 -11.205 9.479 1.00 0.00 O ATOM 0 H GLU A 111 6.288 -7.615 9.952 1.00 0.00 H new ATOM 0 HA GLU A 111 5.733 -9.166 12.071 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.397 -8.192 10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.310 -9.387 12.276 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.625 -10.558 10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.572 -9.631 9.388 1.00 0.00 H new ATOM 1734 N SER A 112 7.170 -6.397 13.122 1.00 0.00 N ATOM 1735 CA SER A 112 7.433 -5.585 14.305 1.00 0.00 C ATOM 1736 C SER A 112 6.132 -5.210 15.007 1.00 0.00 C ATOM 1737 O SER A 112 6.067 -5.165 16.235 1.00 0.00 O ATOM 1738 CB SER A 112 8.200 -4.319 13.919 1.00 0.00 C ATOM 1739 OG SER A 112 9.469 -4.637 13.374 1.00 0.00 O ATOM 0 H SER A 112 7.394 -5.940 12.238 1.00 0.00 H new ATOM 0 HA SER A 112 8.040 -6.174 14.993 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.622 -3.747 13.193 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.326 -3.685 14.797 1.00 0.00 H new ATOM 0 HG SER A 112 9.377 -4.819 12.415 1.00 0.00 H new ATOM 1745 N GLY A 113 5.096 -4.942 14.218 1.00 0.00 N ATOM 1746 CA GLY A 113 3.810 -4.575 14.781 1.00 0.00 C ATOM 1747 C GLY A 113 3.464 -3.119 14.536 1.00 0.00 C ATOM 1748 O GLY A 113 2.733 -2.508 15.314 1.00 0.00 O ATOM 0 H GLY A 113 5.125 -4.973 13.199 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.034 -5.207 14.349 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.818 -4.768 15.854 1.00 0.00 H new ATOM 1752 N GLY A 114 3.992 -2.562 13.450 1.00 0.00 N ATOM 1753 CA GLY A 114 3.725 -1.173 13.125 1.00 0.00 C ATOM 1754 C GLY A 114 4.746 -0.229 13.729 1.00 0.00 C ATOM 1755 O GLY A 114 4.385 0.789 14.319 1.00 0.00 O ATOM 0 H GLY A 114 4.599 -3.048 12.790 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.719 -1.051 12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.731 -0.904 13.482 1.00 0.00 H new