USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -3.4 K(o=-3.4,f=-5.8!) USER MOD Single : A 9 HIS : no HD1:sc= -1.96 K(o=-2,f=-3!) USER MOD Single : A 11 THR OG1 : rot -37:sc= 0.624 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0412 X(o=-0.041,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.05 K(o=-2,f=-7.9!) USER MOD Single : A 29 THR OG1 : rot 111:sc= -1.12 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -156:sc= -1.48 (180deg=-3.08!) USER MOD Single : A 42 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= -5.01! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 170:sc= -0.346 (180deg=-0.376) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 96:sc= 0.0043 USER MOD Single : A 59 ASN : amide:sc= -0.749 K(o=-0.75,f=-5.7!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.171 USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.094 X(o=-0.094,f=-0.32) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= -0.0653 (180deg=-0.37) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot 78:sc= 1.87 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -19.120 -23.100 -7.703 1.00 0.00 N ATOM 51 CA LYS A 4 -18.280 -22.735 -8.836 1.00 0.00 C ATOM 52 C LYS A 4 -17.016 -23.582 -8.880 1.00 0.00 C ATOM 53 O LYS A 4 -16.603 -24.134 -7.862 1.00 0.00 O ATOM 54 CB LYS A 4 -17.858 -21.269 -8.725 1.00 0.00 C ATOM 55 CG LYS A 4 -18.967 -20.318 -8.289 1.00 0.00 C ATOM 56 CD LYS A 4 -18.429 -19.210 -7.394 1.00 0.00 C ATOM 57 CE LYS A 4 -18.794 -19.426 -5.934 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.188 -18.997 -5.639 1.00 0.00 N ATOM 0 HA LYS A 4 -18.864 -22.902 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.034 -21.195 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.476 -20.941 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.440 -19.880 -9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.738 -20.875 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.345 -19.160 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.824 -18.251 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.678 -20.481 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.102 -18.870 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.396 -19.161 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.292 -17.985 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.851 -19.545 -6.224 1.00 0.00 H new ATOM 72 N GLY A 5 -16.361 -23.619 -10.042 1.00 0.00 N ATOM 73 CA GLY A 5 -15.097 -24.328 -10.143 1.00 0.00 C ATOM 74 C GLY A 5 -14.048 -23.480 -9.464 1.00 0.00 C ATOM 75 O GLY A 5 -13.116 -22.975 -10.090 1.00 0.00 O ATOM 0 H GLY A 5 -16.680 -23.176 -10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.167 -25.306 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.835 -24.499 -11.187 1.00 0.00 H new ATOM 79 N TRP A 6 -14.289 -23.256 -8.182 1.00 0.00 N ATOM 80 CA TRP A 6 -13.480 -22.388 -7.351 1.00 0.00 C ATOM 81 C TRP A 6 -12.211 -23.028 -6.819 1.00 0.00 C ATOM 82 O TRP A 6 -11.101 -22.588 -7.113 1.00 0.00 O ATOM 83 CB TRP A 6 -14.349 -21.995 -6.162 1.00 0.00 C ATOM 84 CG TRP A 6 -14.450 -20.538 -5.950 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.586 -19.799 -5.903 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.368 -19.650 -5.748 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.271 -18.485 -5.665 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.906 -18.372 -5.570 1.00 0.00 C ATOM 89 CE3 TRP A 6 -11.991 -19.822 -5.700 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.107 -17.261 -5.344 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.191 -18.729 -5.478 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.748 -17.456 -5.298 1.00 0.00 C ATOM 0 H TRP A 6 -15.069 -23.683 -7.683 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.158 -21.547 -7.965 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.350 -22.401 -6.306 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -13.945 -22.456 -5.261 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.586 -20.186 -6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.939 -17.720 -5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.556 -20.801 -5.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.537 -16.280 -5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.119 -18.852 -5.442 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.097 -16.613 -5.120 1.00 0.00 H new ATOM 103 N HIS A 7 -12.395 -24.036 -5.995 1.00 0.00 N ATOM 104 CA HIS A 7 -11.276 -24.716 -5.356 1.00 0.00 C ATOM 105 C HIS A 7 -10.550 -25.657 -6.311 1.00 0.00 C ATOM 106 O HIS A 7 -9.457 -26.137 -6.010 1.00 0.00 O ATOM 107 CB HIS A 7 -11.782 -25.511 -4.159 1.00 0.00 C ATOM 108 CG HIS A 7 -10.693 -26.083 -3.304 1.00 0.00 C ATOM 109 ND1 HIS A 7 -9.933 -27.170 -3.681 1.00 0.00 N ATOM 110 CD2 HIS A 7 -10.242 -25.716 -2.081 1.00 0.00 C ATOM 111 CE1 HIS A 7 -9.063 -27.449 -2.726 1.00 0.00 C ATOM 112 NE2 HIS A 7 -9.230 -26.580 -1.746 1.00 0.00 N ATOM 0 H HIS A 7 -13.312 -24.409 -5.747 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.567 -23.952 -5.039 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.410 -24.865 -3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.414 -26.324 -4.516 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -10.027 -27.679 -4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.610 -24.897 -1.481 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.339 -28.251 -2.744 1.00 0.00 H new ATOM 121 N GLU A 8 -11.172 -25.936 -7.447 1.00 0.00 N ATOM 122 CA GLU A 8 -10.594 -26.846 -8.435 1.00 0.00 C ATOM 123 C GLU A 8 -9.110 -26.567 -8.662 1.00 0.00 C ATOM 124 O GLU A 8 -8.283 -27.474 -8.565 1.00 0.00 O ATOM 125 CB GLU A 8 -11.340 -26.727 -9.766 1.00 0.00 C ATOM 126 CG GLU A 8 -11.665 -25.296 -10.167 1.00 0.00 C ATOM 127 CD GLU A 8 -10.766 -24.780 -11.273 1.00 0.00 C ATOM 128 OE1 GLU A 8 -9.726 -25.419 -11.542 1.00 0.00 O ATOM 129 OE2 GLU A 8 -11.100 -23.736 -11.871 1.00 0.00 O ATOM 0 H GLU A 8 -12.077 -25.547 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.696 -27.858 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.738 -27.186 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.268 -27.295 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.704 -25.241 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.570 -24.648 -9.295 1.00 0.00 H new ATOM 136 N HIS A 9 -8.773 -25.321 -8.967 1.00 0.00 N ATOM 137 CA HIS A 9 -7.379 -24.957 -9.207 1.00 0.00 C ATOM 138 C HIS A 9 -6.919 -23.815 -8.307 1.00 0.00 C ATOM 139 O HIS A 9 -5.934 -23.140 -8.606 1.00 0.00 O ATOM 140 CB HIS A 9 -7.171 -24.584 -10.676 1.00 0.00 C ATOM 141 CG HIS A 9 -6.972 -25.768 -11.571 1.00 0.00 C ATOM 142 ND1 HIS A 9 -7.523 -25.858 -12.833 1.00 0.00 N ATOM 143 CD2 HIS A 9 -6.280 -26.916 -11.382 1.00 0.00 C ATOM 144 CE1 HIS A 9 -7.178 -27.009 -13.380 1.00 0.00 C ATOM 145 NE2 HIS A 9 -6.423 -27.669 -12.522 1.00 0.00 N ATOM 0 H HIS A 9 -9.436 -24.551 -9.054 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.772 -25.830 -8.965 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.034 -24.016 -11.024 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.304 -23.928 -10.757 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.720 -27.189 -10.500 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.465 -27.352 -14.363 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.012 -28.589 -12.680 1.00 0.00 H new ATOM 154 N VAL A 10 -7.610 -23.620 -7.191 1.00 0.00 N ATOM 155 CA VAL A 10 -7.235 -22.577 -6.244 1.00 0.00 C ATOM 156 C VAL A 10 -6.564 -23.206 -5.032 1.00 0.00 C ATOM 157 O VAL A 10 -5.445 -22.844 -4.672 1.00 0.00 O ATOM 158 CB VAL A 10 -8.448 -21.727 -5.803 1.00 0.00 C ATOM 159 CG1 VAL A 10 -8.081 -20.808 -4.647 1.00 0.00 C ATOM 160 CG2 VAL A 10 -8.970 -20.925 -6.983 1.00 0.00 C ATOM 0 H VAL A 10 -8.428 -24.166 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.538 -21.906 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.234 -22.397 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.953 -20.222 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.747 -21.406 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.279 -20.137 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.825 -20.327 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.184 -20.267 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.276 -21.605 -7.778 1.00 0.00 H new ATOM 170 N THR A 11 -7.247 -24.171 -4.427 1.00 0.00 N ATOM 171 CA THR A 11 -6.715 -24.885 -3.270 1.00 0.00 C ATOM 172 C THR A 11 -6.267 -23.923 -2.169 1.00 0.00 C ATOM 173 O THR A 11 -6.110 -22.724 -2.398 1.00 0.00 O ATOM 174 CB THR A 11 -5.552 -25.787 -3.700 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.325 -25.082 -3.654 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.707 -26.353 -5.101 1.00 0.00 C ATOM 0 H THR A 11 -8.174 -24.479 -4.719 1.00 0.00 H new ATOM 0 HA THR A 11 -7.515 -25.502 -2.859 1.00 0.00 H new ATOM 0 HB THR A 11 -5.559 -26.616 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.467 -24.158 -3.949 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.848 -26.981 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.618 -26.950 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.767 -25.535 -5.819 1.00 0.00 H new ATOM 184 N GLN A 12 -6.071 -24.460 -0.969 1.00 0.00 N ATOM 185 CA GLN A 12 -5.649 -23.655 0.173 1.00 0.00 C ATOM 186 C GLN A 12 -4.171 -23.276 0.082 1.00 0.00 C ATOM 187 O GLN A 12 -3.805 -22.117 0.274 1.00 0.00 O ATOM 188 CB GLN A 12 -5.914 -24.409 1.477 1.00 0.00 C ATOM 189 CG GLN A 12 -5.158 -25.723 1.589 1.00 0.00 C ATOM 190 CD GLN A 12 -5.555 -26.522 2.815 1.00 0.00 C ATOM 191 OE1 GLN A 12 -5.407 -26.059 3.946 1.00 0.00 O ATOM 192 NE2 GLN A 12 -6.061 -27.730 2.594 1.00 0.00 N ATOM 0 H GLN A 12 -6.198 -25.451 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.232 -22.734 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.641 -23.771 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.983 -24.607 1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.341 -26.320 0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.088 -25.520 1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.165 -28.072 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.345 -28.315 3.379 1.00 0.00 H new ATOM 201 N ASP A 13 -3.324 -24.266 -0.192 1.00 0.00 N ATOM 202 CA ASP A 13 -1.883 -24.040 -0.286 1.00 0.00 C ATOM 203 C ASP A 13 -1.545 -22.949 -1.298 1.00 0.00 C ATOM 204 O ASP A 13 -0.884 -21.966 -0.963 1.00 0.00 O ATOM 205 CB ASP A 13 -1.171 -25.339 -0.669 1.00 0.00 C ATOM 206 CG ASP A 13 0.308 -25.307 -0.334 1.00 0.00 C ATOM 207 OD1 ASP A 13 0.652 -25.470 0.855 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.122 -25.118 -1.263 1.00 0.00 O ATOM 0 H ASP A 13 -3.610 -25.232 -0.353 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.538 -23.707 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.641 -26.174 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.295 -25.517 -1.737 1.00 0.00 H new ATOM 213 N LEU A 14 -1.995 -23.126 -2.535 1.00 0.00 N ATOM 214 CA LEU A 14 -1.727 -22.152 -3.589 1.00 0.00 C ATOM 215 C LEU A 14 -2.357 -20.802 -3.256 1.00 0.00 C ATOM 216 O LEU A 14 -1.849 -19.756 -3.658 1.00 0.00 O ATOM 217 CB LEU A 14 -2.254 -22.664 -4.932 1.00 0.00 C ATOM 218 CG LEU A 14 -2.150 -21.671 -6.092 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.985 -22.407 -7.411 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.374 -20.769 -6.132 1.00 0.00 C ATOM 0 H LEU A 14 -2.545 -23.932 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.648 -22.017 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.707 -23.568 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.299 -22.948 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.269 -21.048 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.913 -21.685 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.078 -23.010 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.846 -23.055 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.283 -20.069 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.269 -21.376 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.448 -20.214 -5.197 1.00 0.00 H new ATOM 232 N ARG A 15 -3.459 -20.831 -2.516 1.00 0.00 N ATOM 233 CA ARG A 15 -4.150 -19.607 -2.128 1.00 0.00 C ATOM 234 C ARG A 15 -3.274 -18.763 -1.208 1.00 0.00 C ATOM 235 O ARG A 15 -3.356 -17.535 -1.212 1.00 0.00 O ATOM 236 CB ARG A 15 -5.472 -19.938 -1.432 1.00 0.00 C ATOM 237 CG ARG A 15 -6.261 -18.710 -1.007 1.00 0.00 C ATOM 238 CD ARG A 15 -6.971 -18.936 0.318 1.00 0.00 C ATOM 239 NE ARG A 15 -8.236 -19.645 0.147 1.00 0.00 N ATOM 240 CZ ARG A 15 -9.098 -19.875 1.135 1.00 0.00 C ATOM 241 NH1 ARG A 15 -8.833 -19.454 2.366 1.00 0.00 N ATOM 242 NH2 ARG A 15 -10.226 -20.528 0.894 1.00 0.00 N ATOM 0 H ARG A 15 -3.893 -21.688 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.360 -19.034 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.085 -20.539 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.267 -20.550 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.589 -17.856 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.993 -18.462 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.323 -19.506 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.156 -17.975 0.799 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.473 -19.984 -0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.966 -18.952 2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.496 -19.632 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.434 -20.855 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.886 -20.704 1.652 1.00 0.00 H new ATOM 256 N SER A 16 -2.435 -19.431 -0.423 1.00 0.00 N ATOM 257 CA SER A 16 -1.541 -18.744 0.502 1.00 0.00 C ATOM 258 C SER A 16 -0.606 -17.800 -0.247 1.00 0.00 C ATOM 259 O SER A 16 -0.253 -16.733 0.254 1.00 0.00 O ATOM 260 CB SER A 16 -0.726 -19.760 1.304 1.00 0.00 C ATOM 261 OG SER A 16 -0.637 -19.381 2.668 1.00 0.00 O ATOM 0 H SER A 16 -2.356 -20.448 -0.409 1.00 0.00 H new ATOM 0 HA SER A 16 -2.149 -18.155 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.188 -20.744 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.275 -19.843 0.881 1.00 0.00 H new ATOM 0 HG SER A 16 -0.113 -20.048 3.159 1.00 0.00 H new ATOM 267 N HIS A 17 -0.209 -18.201 -1.450 1.00 0.00 N ATOM 268 CA HIS A 17 0.684 -17.389 -2.270 1.00 0.00 C ATOM 269 C HIS A 17 0.016 -16.076 -2.662 1.00 0.00 C ATOM 270 O HIS A 17 0.662 -15.028 -2.706 1.00 0.00 O ATOM 271 CB HIS A 17 1.100 -18.159 -3.524 1.00 0.00 C ATOM 272 CG HIS A 17 2.360 -18.949 -3.352 1.00 0.00 C ATOM 273 ND1 HIS A 17 3.616 -18.413 -3.545 1.00 0.00 N ATOM 274 CD2 HIS A 17 2.554 -20.243 -3.002 1.00 0.00 C ATOM 275 CE1 HIS A 17 4.528 -19.344 -3.322 1.00 0.00 C ATOM 276 NE2 HIS A 17 3.910 -20.462 -2.991 1.00 0.00 N ATOM 0 H HIS A 17 -0.491 -19.082 -1.879 1.00 0.00 H new ATOM 0 HA HIS A 17 1.573 -17.162 -1.681 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.294 -18.835 -3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.232 -17.455 -4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.786 -20.967 -2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.597 -19.212 -3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.366 -21.346 -2.764 1.00 0.00 H new ATOM 285 N LEU A 18 -1.281 -16.139 -2.946 1.00 0.00 N ATOM 286 CA LEU A 18 -2.037 -14.955 -3.334 1.00 0.00 C ATOM 287 C LEU A 18 -2.231 -14.019 -2.145 1.00 0.00 C ATOM 288 O LEU A 18 -2.344 -12.805 -2.309 1.00 0.00 O ATOM 289 CB LEU A 18 -3.396 -15.357 -3.910 1.00 0.00 C ATOM 290 CG LEU A 18 -3.365 -15.852 -5.358 1.00 0.00 C ATOM 291 CD1 LEU A 18 -3.188 -17.362 -5.401 1.00 0.00 C ATOM 292 CD2 LEU A 18 -4.635 -15.441 -6.089 1.00 0.00 C ATOM 0 H LEU A 18 -1.830 -16.998 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.469 -14.427 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.822 -16.141 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.067 -14.500 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.515 -15.392 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.168 -17.697 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.251 -17.632 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.018 -17.841 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.596 -15.801 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.500 -15.873 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.720 -14.354 -6.088 1.00 0.00 H new ATOM 304 N VAL A 19 -2.269 -14.593 -0.946 1.00 0.00 N ATOM 305 CA VAL A 19 -2.448 -13.809 0.270 1.00 0.00 C ATOM 306 C VAL A 19 -1.272 -12.862 0.492 1.00 0.00 C ATOM 307 O VAL A 19 -1.417 -11.812 1.115 1.00 0.00 O ATOM 308 CB VAL A 19 -2.606 -14.717 1.505 1.00 0.00 C ATOM 309 CG1 VAL A 19 -2.908 -13.889 2.746 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.696 -15.752 1.270 1.00 0.00 C ATOM 0 H VAL A 19 -2.178 -15.597 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.359 -13.225 0.140 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.665 -15.242 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.016 -14.549 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.091 -13.190 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.834 -13.334 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.794 -16.384 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.643 -15.247 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.434 -16.368 0.410 1.00 0.00 H new ATOM 320 N HIS A 20 -0.105 -13.242 -0.022 1.00 0.00 N ATOM 321 CA HIS A 20 1.095 -12.427 0.121 1.00 0.00 C ATOM 322 C HIS A 20 1.018 -11.182 -0.757 1.00 0.00 C ATOM 323 O HIS A 20 1.578 -10.138 -0.420 1.00 0.00 O ATOM 324 CB HIS A 20 2.338 -13.243 -0.239 1.00 0.00 C ATOM 325 CG HIS A 20 2.963 -13.932 0.933 1.00 0.00 C ATOM 326 ND1 HIS A 20 4.295 -14.287 0.976 1.00 0.00 N ATOM 327 CD2 HIS A 20 2.431 -14.333 2.112 1.00 0.00 C ATOM 328 CE1 HIS A 20 4.555 -14.875 2.130 1.00 0.00 C ATOM 329 NE2 HIS A 20 3.441 -14.916 2.837 1.00 0.00 N ATOM 0 H HIS A 20 0.034 -14.109 -0.541 1.00 0.00 H new ATOM 0 HA HIS A 20 1.165 -12.111 1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.069 -13.989 -0.987 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.075 -12.584 -0.697 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.404 -14.216 2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.516 -15.257 2.442 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.346 -15.316 3.771 1.00 0.00 H new ATOM 338 N LYS A 21 0.320 -11.297 -1.883 1.00 0.00 N ATOM 339 CA LYS A 21 0.171 -10.178 -2.807 1.00 0.00 C ATOM 340 C LYS A 21 -0.456 -8.975 -2.108 1.00 0.00 C ATOM 341 O LYS A 21 -0.010 -7.841 -2.285 1.00 0.00 O ATOM 342 CB LYS A 21 -0.685 -10.589 -4.008 1.00 0.00 C ATOM 343 CG LYS A 21 0.125 -11.122 -5.177 1.00 0.00 C ATOM 344 CD LYS A 21 0.393 -10.038 -6.209 1.00 0.00 C ATOM 345 CE LYS A 21 0.641 -10.630 -7.587 1.00 0.00 C ATOM 346 NZ LYS A 21 2.093 -10.707 -7.906 1.00 0.00 N ATOM 0 H LYS A 21 -0.151 -12.153 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 21 1.163 -9.895 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.397 -11.352 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.266 -9.729 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.072 -11.521 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.410 -11.948 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.457 -9.357 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.258 -9.449 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.205 -11.628 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.136 -10.023 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.219 -11.116 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.504 -9.752 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.571 -11.307 -7.204 1.00 0.00 H new ATOM 360 N LEU A 22 -1.488 -9.230 -1.312 1.00 0.00 N ATOM 361 CA LEU A 22 -2.171 -8.168 -0.584 1.00 0.00 C ATOM 362 C LEU A 22 -1.211 -7.459 0.364 1.00 0.00 C ATOM 363 O LEU A 22 -1.329 -6.256 0.601 1.00 0.00 O ATOM 364 CB LEU A 22 -3.356 -8.737 0.199 1.00 0.00 C ATOM 365 CG LEU A 22 -4.578 -9.096 -0.647 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.338 -10.255 -0.022 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.487 -7.887 -0.810 1.00 0.00 C ATOM 0 H LEU A 22 -1.870 -10.163 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.541 -7.442 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.026 -9.630 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.656 -8.010 0.953 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.234 -9.404 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.204 -10.496 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.685 -11.125 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.670 -9.975 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.352 -8.161 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.822 -7.549 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.939 -7.084 -1.303 1.00 0.00 H new ATOM 379 N VAL A 23 -0.258 -8.212 0.901 1.00 0.00 N ATOM 380 CA VAL A 23 0.729 -7.658 1.820 1.00 0.00 C ATOM 381 C VAL A 23 1.801 -6.876 1.069 1.00 0.00 C ATOM 382 O VAL A 23 2.386 -5.934 1.603 1.00 0.00 O ATOM 383 CB VAL A 23 1.403 -8.765 2.653 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.304 -8.161 3.719 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.357 -9.673 3.282 1.00 0.00 C ATOM 0 H VAL A 23 -0.148 -9.209 0.716 1.00 0.00 H new ATOM 0 HA VAL A 23 0.195 -6.984 2.490 1.00 0.00 H new ATOM 0 HB VAL A 23 2.021 -9.367 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.770 -8.959 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.077 -7.558 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.711 -7.532 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.852 -10.448 3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.290 -9.086 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.242 -10.136 2.498 1.00 0.00 H new ATOM 395 N GLN A 24 2.053 -7.274 -0.175 1.00 0.00 N ATOM 396 CA GLN A 24 3.054 -6.610 -1.002 1.00 0.00 C ATOM 397 C GLN A 24 2.572 -5.231 -1.440 1.00 0.00 C ATOM 398 O GLN A 24 3.370 -4.310 -1.613 1.00 0.00 O ATOM 399 CB GLN A 24 3.377 -7.465 -2.231 1.00 0.00 C ATOM 400 CG GLN A 24 4.429 -6.852 -3.140 1.00 0.00 C ATOM 401 CD GLN A 24 5.798 -7.472 -2.949 1.00 0.00 C ATOM 402 OE1 GLN A 24 6.611 -6.980 -2.166 1.00 0.00 O ATOM 403 NE2 GLN A 24 6.062 -8.559 -3.666 1.00 0.00 N ATOM 0 H GLN A 24 1.578 -8.053 -0.632 1.00 0.00 H new ATOM 0 HA GLN A 24 3.958 -6.485 -0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.721 -8.445 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.463 -7.624 -2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.121 -6.973 -4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.490 -5.781 -2.948 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.359 -8.933 -4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.968 -9.020 -3.579 1.00 0.00 H new ATOM 412 N ALA A 25 1.263 -5.097 -1.623 1.00 0.00 N ATOM 413 CA ALA A 25 0.677 -3.830 -2.042 1.00 0.00 C ATOM 414 C ALA A 25 0.965 -2.727 -1.029 1.00 0.00 C ATOM 415 O ALA A 25 1.557 -1.702 -1.365 1.00 0.00 O ATOM 416 CB ALA A 25 -0.823 -3.985 -2.246 1.00 0.00 C ATOM 0 H ALA A 25 0.588 -5.850 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 25 1.134 -3.543 -2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.248 -3.031 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.010 -4.735 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.287 -4.300 -1.311 1.00 0.00 H new ATOM 422 N ILE A 26 0.543 -2.945 0.212 1.00 0.00 N ATOM 423 CA ILE A 26 0.756 -1.970 1.274 1.00 0.00 C ATOM 424 C ILE A 26 2.239 -1.834 1.606 1.00 0.00 C ATOM 425 O ILE A 26 2.732 -0.734 1.851 1.00 0.00 O ATOM 426 CB ILE A 26 -0.015 -2.352 2.552 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.488 -2.615 2.228 1.00 0.00 C ATOM 428 CG2 ILE A 26 0.113 -1.256 3.601 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.147 -3.599 3.169 1.00 0.00 C ATOM 0 H ILE A 26 0.051 -3.789 0.507 1.00 0.00 H new ATOM 0 HA ILE A 26 0.381 -1.015 0.907 1.00 0.00 H new ATOM 0 HB ILE A 26 0.419 -3.266 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.033 -1.672 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.566 -2.992 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.438 -1.543 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.164 -1.113 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.295 -0.326 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.189 -3.737 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.626 -4.555 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.101 -3.215 4.188 1.00 0.00 H new ATOM 441 N PHE A 27 2.944 -2.961 1.612 1.00 0.00 N ATOM 442 CA PHE A 27 4.370 -2.968 1.913 1.00 0.00 C ATOM 443 C PHE A 27 5.132 -3.840 0.918 1.00 0.00 C ATOM 444 O PHE A 27 5.507 -4.970 1.230 1.00 0.00 O ATOM 445 CB PHE A 27 4.611 -3.468 3.338 1.00 0.00 C ATOM 446 CG PHE A 27 5.813 -2.852 3.995 1.00 0.00 C ATOM 447 CD1 PHE A 27 7.012 -2.740 3.311 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.743 -2.383 5.298 1.00 0.00 C ATOM 449 CE1 PHE A 27 8.120 -2.173 3.912 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.847 -1.815 5.904 1.00 0.00 C ATOM 451 CZ PHE A 27 8.037 -1.711 5.211 1.00 0.00 C ATOM 0 H PHE A 27 2.551 -3.881 1.412 1.00 0.00 H new ATOM 0 HA PHE A 27 4.738 -1.946 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.729 -3.257 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.733 -4.551 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.082 -3.100 2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.815 -2.463 5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.049 -2.091 3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.779 -1.453 6.919 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.901 -1.269 5.684 1.00 0.00 H new ATOM 461 N PRO A 28 5.370 -3.324 -0.301 1.00 0.00 N ATOM 462 CA PRO A 28 6.090 -4.062 -1.343 1.00 0.00 C ATOM 463 C PRO A 28 7.576 -4.208 -1.032 1.00 0.00 C ATOM 464 O PRO A 28 8.138 -5.298 -1.140 1.00 0.00 O ATOM 465 CB PRO A 28 5.886 -3.202 -2.592 1.00 0.00 C ATOM 466 CG PRO A 28 5.663 -1.824 -2.074 1.00 0.00 C ATOM 467 CD PRO A 28 4.955 -1.983 -0.756 1.00 0.00 C ATOM 0 HA PRO A 28 5.722 -5.083 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.757 -3.242 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.033 -3.548 -3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.609 -1.298 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.063 -1.238 -2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.249 -1.210 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.873 -1.915 -0.871 1.00 0.00 H new ATOM 475 N THR A 29 8.207 -3.104 -0.648 1.00 0.00 N ATOM 476 CA THR A 29 9.631 -3.112 -0.323 1.00 0.00 C ATOM 477 C THR A 29 9.902 -3.944 0.927 1.00 0.00 C ATOM 478 O THR A 29 9.055 -4.041 1.816 1.00 0.00 O ATOM 479 CB THR A 29 10.151 -1.684 -0.122 1.00 0.00 C ATOM 480 OG1 THR A 29 11.378 -1.692 0.587 1.00 0.00 O ATOM 481 CG2 THR A 29 9.193 -0.791 0.637 1.00 0.00 C ATOM 0 H THR A 29 7.757 -2.193 -0.554 1.00 0.00 H new ATOM 0 HA THR A 29 10.159 -3.564 -1.163 1.00 0.00 H new ATOM 0 HB THR A 29 10.274 -1.283 -1.128 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.103 -1.417 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.627 0.203 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.252 -0.720 0.092 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.009 -1.212 1.625 1.00 0.00 H new ATOM 489 N PRO A 30 11.095 -4.556 1.011 1.00 0.00 N ATOM 490 CA PRO A 30 11.482 -5.383 2.158 1.00 0.00 C ATOM 491 C PRO A 30 11.666 -4.560 3.428 1.00 0.00 C ATOM 492 O PRO A 30 12.095 -3.408 3.377 1.00 0.00 O ATOM 493 CB PRO A 30 12.815 -5.997 1.723 1.00 0.00 C ATOM 494 CG PRO A 30 13.356 -5.051 0.708 1.00 0.00 C ATOM 495 CD PRO A 30 12.159 -4.488 -0.007 1.00 0.00 C ATOM 0 HA PRO A 30 10.718 -6.121 2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.496 -6.103 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.673 -6.992 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.937 -4.259 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.022 -5.562 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.333 -3.465 -0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.907 -5.072 -0.892 1.00 0.00 H new ATOM 503 N ASP A 31 11.339 -5.158 4.569 1.00 0.00 N ATOM 504 CA ASP A 31 11.468 -4.480 5.852 1.00 0.00 C ATOM 505 C ASP A 31 11.324 -5.471 7.006 1.00 0.00 C ATOM 506 O ASP A 31 10.218 -5.710 7.493 1.00 0.00 O ATOM 507 CB ASP A 31 10.415 -3.379 5.979 1.00 0.00 C ATOM 508 CG ASP A 31 10.857 -2.260 6.902 1.00 0.00 C ATOM 509 OD1 ASP A 31 11.954 -1.706 6.681 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.105 -1.937 7.846 1.00 0.00 O ATOM 0 H ASP A 31 10.982 -6.112 4.630 1.00 0.00 H new ATOM 0 HA ASP A 31 12.460 -4.032 5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.201 -2.969 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.486 -3.810 6.353 1.00 0.00 H new ATOM 515 N PRO A 32 12.443 -6.063 7.462 1.00 0.00 N ATOM 516 CA PRO A 32 12.427 -7.030 8.565 1.00 0.00 C ATOM 517 C PRO A 32 11.910 -6.415 9.861 1.00 0.00 C ATOM 518 O PRO A 32 11.435 -7.123 10.749 1.00 0.00 O ATOM 519 CB PRO A 32 13.897 -7.440 8.715 1.00 0.00 C ATOM 520 CG PRO A 32 14.675 -6.354 8.054 1.00 0.00 C ATOM 521 CD PRO A 32 13.803 -5.838 6.945 1.00 0.00 C ATOM 0 HA PRO A 32 11.762 -7.869 8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.173 -7.539 9.765 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.087 -8.404 8.243 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.917 -5.561 8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.620 -6.732 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.989 -4.783 6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.975 -6.376 6.013 1.00 0.00 H new ATOM 529 N ALA A 33 12.001 -5.092 9.961 1.00 0.00 N ATOM 530 CA ALA A 33 11.538 -4.383 11.147 1.00 0.00 C ATOM 531 C ALA A 33 10.023 -4.210 11.127 1.00 0.00 C ATOM 532 O ALA A 33 9.389 -4.086 12.176 1.00 0.00 O ATOM 533 CB ALA A 33 12.224 -3.029 11.251 1.00 0.00 C ATOM 0 H ALA A 33 12.391 -4.491 9.235 1.00 0.00 H new ATOM 0 HA ALA A 33 11.797 -4.979 12.022 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.870 -2.509 12.141 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.302 -3.172 11.319 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.992 -2.435 10.367 1.00 0.00 H new ATOM 539 N ALA A 34 9.444 -4.204 9.929 1.00 0.00 N ATOM 540 CA ALA A 34 8.003 -4.046 9.779 1.00 0.00 C ATOM 541 C ALA A 34 7.254 -5.197 10.443 1.00 0.00 C ATOM 542 O ALA A 34 6.273 -4.984 11.154 1.00 0.00 O ATOM 543 CB ALA A 34 7.631 -3.949 8.308 1.00 0.00 C ATOM 0 H ALA A 34 9.951 -4.307 9.050 1.00 0.00 H new ATOM 0 HA ALA A 34 7.710 -3.121 10.276 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.552 -3.831 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.131 -3.089 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.944 -4.857 7.793 1.00 0.00 H new ATOM 549 N LEU A 35 7.727 -6.416 10.211 1.00 0.00 N ATOM 550 CA LEU A 35 7.102 -7.598 10.793 1.00 0.00 C ATOM 551 C LEU A 35 7.077 -7.499 12.314 1.00 0.00 C ATOM 552 O LEU A 35 6.216 -8.083 12.971 1.00 0.00 O ATOM 553 CB LEU A 35 7.849 -8.864 10.363 1.00 0.00 C ATOM 554 CG LEU A 35 8.290 -8.893 8.896 1.00 0.00 C ATOM 555 CD1 LEU A 35 8.784 -10.279 8.516 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.149 -8.464 7.985 1.00 0.00 C ATOM 0 H LEU A 35 8.539 -6.612 9.626 1.00 0.00 H new ATOM 0 HA LEU A 35 6.076 -7.654 10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.731 -8.978 10.993 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.209 -9.726 10.551 1.00 0.00 H new ATOM 0 HG LEU A 35 9.112 -8.188 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.093 -10.281 7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.632 -10.548 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.982 -11.003 8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.482 -8.491 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.306 -9.143 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.841 -7.450 8.241 1.00 0.00 H new ATOM 568 N LYS A 36 8.025 -6.748 12.867 1.00 0.00 N ATOM 569 CA LYS A 36 8.112 -6.563 14.309 1.00 0.00 C ATOM 570 C LYS A 36 7.320 -5.335 14.749 1.00 0.00 C ATOM 571 O LYS A 36 6.917 -5.229 15.907 1.00 0.00 O ATOM 572 CB LYS A 36 9.573 -6.425 14.741 1.00 0.00 C ATOM 573 CG LYS A 36 9.875 -7.072 16.082 1.00 0.00 C ATOM 574 CD LYS A 36 11.293 -7.621 16.129 1.00 0.00 C ATOM 575 CE LYS A 36 11.444 -8.852 15.251 1.00 0.00 C ATOM 576 NZ LYS A 36 12.841 -9.022 14.767 1.00 0.00 N ATOM 0 H LYS A 36 8.744 -6.257 12.336 1.00 0.00 H new ATOM 0 HA LYS A 36 7.681 -7.442 14.789 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.212 -6.872 13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.830 -5.367 14.792 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.740 -6.340 16.879 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.165 -7.878 16.266 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.993 -6.852 15.802 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.553 -7.872 17.157 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.144 -9.737 15.812 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.771 -8.773 14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.901 -9.873 14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.119 -8.189 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.481 -9.123 15.581 1.00 0.00 H new ATOM 590 N ASP A 37 7.100 -4.407 13.819 1.00 0.00 N ATOM 591 CA ASP A 37 6.355 -3.188 14.119 1.00 0.00 C ATOM 592 C ASP A 37 4.957 -3.519 14.632 1.00 0.00 C ATOM 593 O ASP A 37 4.280 -4.400 14.099 1.00 0.00 O ATOM 594 CB ASP A 37 6.261 -2.302 12.876 1.00 0.00 C ATOM 595 CG ASP A 37 7.333 -1.230 12.849 1.00 0.00 C ATOM 596 OD1 ASP A 37 8.460 -1.530 12.405 1.00 0.00 O ATOM 597 OD2 ASP A 37 7.044 -0.091 13.271 1.00 0.00 O ATOM 0 H ASP A 37 7.426 -4.476 12.855 1.00 0.00 H new ATOM 0 HA ASP A 37 6.890 -2.647 14.899 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.348 -2.922 11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.279 -1.831 12.842 1.00 0.00 H new ATOM 602 N ARG A 38 4.530 -2.809 15.670 1.00 0.00 N ATOM 603 CA ARG A 38 3.213 -3.028 16.257 1.00 0.00 C ATOM 604 C ARG A 38 2.108 -2.736 15.247 1.00 0.00 C ATOM 605 O ARG A 38 1.148 -3.497 15.127 1.00 0.00 O ATOM 606 CB ARG A 38 3.031 -2.148 17.496 1.00 0.00 C ATOM 607 CG ARG A 38 3.639 -2.740 18.757 1.00 0.00 C ATOM 608 CD ARG A 38 5.141 -2.508 18.814 1.00 0.00 C ATOM 609 NE ARG A 38 5.891 -3.660 18.319 1.00 0.00 N ATOM 610 CZ ARG A 38 5.969 -4.824 18.959 1.00 0.00 C ATOM 611 NH1 ARG A 38 5.345 -4.996 20.118 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.674 -5.820 18.440 1.00 0.00 N ATOM 0 H ARG A 38 5.077 -2.076 16.123 1.00 0.00 H new ATOM 0 HA ARG A 38 3.145 -4.076 16.549 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.481 -1.173 17.308 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.966 -1.981 17.660 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.168 -2.295 19.633 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.433 -3.810 18.794 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.395 -1.628 18.222 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.437 -2.297 19.842 1.00 0.00 H new ATOM 0 HE ARG A 38 6.384 -3.567 17.431 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.802 -4.233 20.523 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.409 -5.891 20.604 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.156 -5.694 17.550 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.734 -6.712 18.931 1.00 0.00 H new ATOM 626 N ARG A 39 2.248 -1.630 14.524 1.00 0.00 N ATOM 627 CA ARG A 39 1.258 -1.236 13.526 1.00 0.00 C ATOM 628 C ARG A 39 1.038 -2.346 12.500 1.00 0.00 C ATOM 629 O ARG A 39 -0.047 -2.471 11.932 1.00 0.00 O ATOM 630 CB ARG A 39 1.700 0.047 12.819 1.00 0.00 C ATOM 631 CG ARG A 39 2.959 -0.120 11.982 1.00 0.00 C ATOM 632 CD ARG A 39 2.631 -0.541 10.559 1.00 0.00 C ATOM 633 NE ARG A 39 3.470 -1.648 10.108 1.00 0.00 N ATOM 634 CZ ARG A 39 3.566 -2.039 8.839 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.879 -1.411 7.891 1.00 0.00 N ATOM 636 NH2 ARG A 39 4.350 -3.056 8.517 1.00 0.00 N ATOM 0 H ARG A 39 3.037 -0.990 14.610 1.00 0.00 H new ATOM 0 HA ARG A 39 0.315 -1.055 14.042 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.891 0.395 12.177 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.871 0.823 13.566 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.514 0.818 11.966 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.607 -0.866 12.443 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.583 -0.834 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.763 0.309 9.890 1.00 0.00 H new ATOM 0 HE ARG A 39 4.015 -2.152 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.275 -0.626 8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.956 -1.714 6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.881 -3.540 9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.423 -3.355 7.545 1.00 0.00 H new ATOM 650 N MET A 40 2.073 -3.148 12.268 1.00 0.00 N ATOM 651 CA MET A 40 1.989 -4.245 11.311 1.00 0.00 C ATOM 652 C MET A 40 0.889 -5.231 11.698 1.00 0.00 C ATOM 653 O MET A 40 0.343 -5.930 10.844 1.00 0.00 O ATOM 654 CB MET A 40 3.332 -4.972 11.217 1.00 0.00 C ATOM 655 CG MET A 40 3.336 -6.129 10.230 1.00 0.00 C ATOM 656 SD MET A 40 2.777 -5.645 8.585 1.00 0.00 S ATOM 657 CE MET A 40 4.287 -5.842 7.641 1.00 0.00 C ATOM 0 H MET A 40 2.978 -3.059 12.729 1.00 0.00 H new ATOM 0 HA MET A 40 1.742 -3.822 10.337 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.102 -4.257 10.927 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.601 -5.348 12.204 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.344 -6.538 10.161 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.694 -6.925 10.607 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.247 -5.209 6.755 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.140 -5.554 8.255 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.393 -6.884 7.338 1.00 0.00 H new ATOM 667 N GLU A 41 0.566 -5.282 12.987 1.00 0.00 N ATOM 668 CA GLU A 41 -0.471 -6.185 13.479 1.00 0.00 C ATOM 669 C GLU A 41 -1.796 -5.932 12.764 1.00 0.00 C ATOM 670 O GLU A 41 -2.606 -6.843 12.598 1.00 0.00 O ATOM 671 CB GLU A 41 -0.649 -6.019 14.990 1.00 0.00 C ATOM 672 CG GLU A 41 -1.295 -4.702 15.393 1.00 0.00 C ATOM 673 CD GLU A 41 -0.895 -4.258 16.786 1.00 0.00 C ATOM 674 OE1 GLU A 41 0.183 -4.677 17.255 1.00 0.00 O ATOM 675 OE2 GLU A 41 -1.662 -3.492 17.407 1.00 0.00 O ATOM 0 H GLU A 41 1.006 -4.711 13.708 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.157 -7.208 13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.257 -6.841 15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.326 -6.097 15.472 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.016 -3.930 14.676 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.379 -4.804 15.346 1.00 0.00 H new ATOM 682 N ASN A 42 -2.008 -4.688 12.343 1.00 0.00 N ATOM 683 CA ASN A 42 -3.232 -4.316 11.646 1.00 0.00 C ATOM 684 C ASN A 42 -3.167 -4.725 10.178 1.00 0.00 C ATOM 685 O ASN A 42 -4.188 -5.041 9.567 1.00 0.00 O ATOM 686 CB ASN A 42 -3.470 -2.810 11.758 1.00 0.00 C ATOM 687 CG ASN A 42 -4.302 -2.444 12.971 1.00 0.00 C ATOM 688 OD1 ASN A 42 -4.967 -3.295 13.561 1.00 0.00 O ATOM 689 ND2 ASN A 42 -4.272 -1.171 13.348 1.00 0.00 N ATOM 0 H ASN A 42 -1.347 -3.922 12.473 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.063 -4.843 12.115 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.510 -2.296 11.811 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.971 -2.456 10.857 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.814 -0.865 14.156 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.707 -0.499 12.830 1.00 0.00 H new ATOM 696 N LEU A 43 -1.962 -4.717 9.619 1.00 0.00 N ATOM 697 CA LEU A 43 -1.768 -5.088 8.222 1.00 0.00 C ATOM 698 C LEU A 43 -2.234 -6.518 7.969 1.00 0.00 C ATOM 699 O LEU A 43 -2.867 -6.805 6.953 1.00 0.00 O ATOM 700 CB LEU A 43 -0.294 -4.938 7.833 1.00 0.00 C ATOM 701 CG LEU A 43 -0.042 -4.124 6.564 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.411 -3.686 6.490 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.422 -4.931 5.330 1.00 0.00 C ATOM 0 H LEU A 43 -1.106 -4.458 10.110 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.368 -4.418 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.239 -4.468 8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.135 -5.931 7.701 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.667 -3.231 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.571 -3.108 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.650 -3.071 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.056 -4.565 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.236 -4.337 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.177 -5.841 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.479 -5.194 5.378 1.00 0.00 H new ATOM 715 N VAL A 44 -1.917 -7.411 8.901 1.00 0.00 N ATOM 716 CA VAL A 44 -2.306 -8.811 8.780 1.00 0.00 C ATOM 717 C VAL A 44 -3.823 -8.961 8.779 1.00 0.00 C ATOM 718 O VAL A 44 -4.405 -9.485 7.829 1.00 0.00 O ATOM 719 CB VAL A 44 -1.720 -9.658 9.926 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.984 -11.136 9.690 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.229 -9.392 10.077 1.00 0.00 C ATOM 0 H VAL A 44 -1.392 -7.190 9.747 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.906 -9.169 7.831 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.214 -9.370 10.854 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.562 -11.716 10.510 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.059 -11.310 9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.521 -11.443 8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.168 -9.999 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.282 -9.650 9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.068 -8.337 10.299 1.00 0.00 H new ATOM 731 N ALA A 45 -4.459 -8.495 9.850 1.00 0.00 N ATOM 732 CA ALA A 45 -5.910 -8.575 9.974 1.00 0.00 C ATOM 733 C ALA A 45 -6.599 -7.889 8.799 1.00 0.00 C ATOM 734 O ALA A 45 -7.644 -8.340 8.331 1.00 0.00 O ATOM 735 CB ALA A 45 -6.361 -7.955 11.287 1.00 0.00 C ATOM 0 H ALA A 45 -3.992 -8.058 10.644 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.194 -9.627 9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.446 -8.021 11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.903 -8.490 12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.058 -6.908 11.318 1.00 0.00 H new ATOM 741 N TYR A 46 -6.005 -6.800 8.325 1.00 0.00 N ATOM 742 CA TYR A 46 -6.560 -6.054 7.202 1.00 0.00 C ATOM 743 C TYR A 46 -6.604 -6.919 5.947 1.00 0.00 C ATOM 744 O TYR A 46 -7.642 -7.031 5.294 1.00 0.00 O ATOM 745 CB TYR A 46 -5.732 -4.793 6.941 1.00 0.00 C ATOM 746 CG TYR A 46 -6.253 -3.952 5.798 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.992 -4.300 4.478 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.005 -2.809 6.038 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.466 -3.532 3.431 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.483 -2.037 4.997 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.211 -2.402 3.695 1.00 0.00 C ATOM 752 OH TYR A 46 -7.685 -1.636 2.656 1.00 0.00 O ATOM 0 H TYR A 46 -5.139 -6.414 8.701 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.579 -5.763 7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.713 -4.187 7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.703 -5.082 6.729 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.410 -5.185 4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.220 -2.519 7.056 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.254 -3.816 2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.067 -1.152 5.202 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.191 -0.877 3.014 1.00 0.00 H new ATOM 762 N ALA A 47 -5.471 -7.528 5.616 1.00 0.00 N ATOM 763 CA ALA A 47 -5.380 -8.386 4.441 1.00 0.00 C ATOM 764 C ALA A 47 -6.300 -9.594 4.573 1.00 0.00 C ATOM 765 O ALA A 47 -6.831 -10.094 3.582 1.00 0.00 O ATOM 766 CB ALA A 47 -3.942 -8.835 4.226 1.00 0.00 C ATOM 0 H ALA A 47 -4.603 -7.443 6.145 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.702 -7.810 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.888 -9.475 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.306 -7.962 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.600 -9.390 5.099 1.00 0.00 H new ATOM 772 N LYS A 48 -6.485 -10.057 5.805 1.00 0.00 N ATOM 773 CA LYS A 48 -7.343 -11.206 6.069 1.00 0.00 C ATOM 774 C LYS A 48 -8.783 -10.913 5.665 1.00 0.00 C ATOM 775 O LYS A 48 -9.522 -11.812 5.264 1.00 0.00 O ATOM 776 CB LYS A 48 -7.282 -11.583 7.551 1.00 0.00 C ATOM 777 CG LYS A 48 -6.198 -12.598 7.877 1.00 0.00 C ATOM 778 CD LYS A 48 -6.120 -12.868 9.370 1.00 0.00 C ATOM 779 CE LYS A 48 -5.841 -14.335 9.657 1.00 0.00 C ATOM 780 NZ LYS A 48 -4.968 -14.512 10.850 1.00 0.00 N ATOM 0 H LYS A 48 -6.052 -9.654 6.636 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.982 -12.044 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.113 -10.682 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.248 -11.986 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.399 -13.529 7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.235 -12.231 7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.335 -12.254 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.057 -12.575 9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.783 -14.859 9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.365 -14.791 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.802 -15.526 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.059 -14.034 10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.433 -14.100 11.684 1.00 0.00 H new ATOM 794 N LYS A 49 -9.176 -9.648 5.774 1.00 0.00 N ATOM 795 CA LYS A 49 -10.529 -9.234 5.419 1.00 0.00 C ATOM 796 C LYS A 49 -10.705 -9.188 3.905 1.00 0.00 C ATOM 797 O LYS A 49 -11.722 -9.636 3.375 1.00 0.00 O ATOM 798 CB LYS A 49 -10.840 -7.863 6.023 1.00 0.00 C ATOM 799 CG LYS A 49 -10.892 -7.865 7.542 1.00 0.00 C ATOM 800 CD LYS A 49 -11.920 -6.875 8.066 1.00 0.00 C ATOM 801 CE LYS A 49 -11.280 -5.542 8.417 1.00 0.00 C ATOM 802 NZ LYS A 49 -11.889 -4.936 9.633 1.00 0.00 N ATOM 0 H LYS A 49 -8.577 -8.892 6.105 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.225 -9.968 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.083 -7.150 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.797 -7.513 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.136 -8.866 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.909 -7.616 7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.695 -6.721 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.409 -7.289 8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.211 -5.684 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.387 -4.856 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.425 -4.028 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.904 -4.777 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.765 -5.579 10.441 1.00 0.00 H new ATOM 816 N VAL A 50 -9.709 -8.642 3.215 1.00 0.00 N ATOM 817 CA VAL A 50 -9.756 -8.538 1.761 1.00 0.00 C ATOM 818 C VAL A 50 -9.569 -9.901 1.107 1.00 0.00 C ATOM 819 O VAL A 50 -10.379 -10.314 0.278 1.00 0.00 O ATOM 820 CB VAL A 50 -8.680 -7.571 1.231 1.00 0.00 C ATOM 821 CG1 VAL A 50 -8.870 -7.326 -0.259 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.712 -6.262 2.003 1.00 0.00 C ATOM 0 H VAL A 50 -8.861 -8.265 3.638 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.740 -8.148 1.503 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.702 -8.028 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.101 -6.641 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.791 -8.271 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.854 -6.890 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.945 -5.592 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.691 -5.797 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.522 -6.457 3.058 1.00 0.00 H new ATOM 832 N GLU A 51 -8.503 -10.603 1.486 1.00 0.00 N ATOM 833 CA GLU A 51 -8.232 -11.925 0.931 1.00 0.00 C ATOM 834 C GLU A 51 -9.479 -12.795 1.016 1.00 0.00 C ATOM 835 O GLU A 51 -9.839 -13.480 0.059 1.00 0.00 O ATOM 836 CB GLU A 51 -7.069 -12.593 1.669 1.00 0.00 C ATOM 837 CG GLU A 51 -7.336 -12.824 3.147 1.00 0.00 C ATOM 838 CD GLU A 51 -8.025 -14.148 3.415 1.00 0.00 C ATOM 839 OE1 GLU A 51 -7.618 -15.162 2.811 1.00 0.00 O ATOM 840 OE2 GLU A 51 -8.972 -14.171 4.230 1.00 0.00 O ATOM 0 H GLU A 51 -7.818 -10.281 2.170 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.953 -11.809 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.851 -13.550 1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.179 -11.973 1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.393 -12.793 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.954 -12.013 3.532 1.00 0.00 H new ATOM 847 N GLY A 52 -10.151 -12.739 2.161 1.00 0.00 N ATOM 848 CA GLY A 52 -11.369 -13.502 2.335 1.00 0.00 C ATOM 849 C GLY A 52 -12.451 -13.010 1.398 1.00 0.00 C ATOM 850 O GLY A 52 -13.295 -13.782 0.946 1.00 0.00 O ATOM 0 H GLY A 52 -9.874 -12.180 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.172 -14.558 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.710 -13.420 3.367 1.00 0.00 H new ATOM 854 N ASP A 53 -12.405 -11.715 1.096 1.00 0.00 N ATOM 855 CA ASP A 53 -13.366 -11.100 0.192 1.00 0.00 C ATOM 856 C ASP A 53 -13.011 -11.422 -1.256 1.00 0.00 C ATOM 857 O ASP A 53 -13.883 -11.484 -2.122 1.00 0.00 O ATOM 858 CB ASP A 53 -13.397 -9.584 0.399 1.00 0.00 C ATOM 859 CG ASP A 53 -14.637 -8.945 -0.194 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.860 -9.102 -1.413 1.00 0.00 O ATOM 861 OD2 ASP A 53 -15.385 -8.288 0.559 1.00 0.00 O ATOM 0 H ASP A 53 -11.707 -11.070 1.468 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.354 -11.504 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.353 -9.365 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.511 -9.140 -0.054 1.00 0.00 H new ATOM 866 N MET A 54 -11.720 -11.627 -1.506 1.00 0.00 N ATOM 867 CA MET A 54 -11.239 -11.946 -2.843 1.00 0.00 C ATOM 868 C MET A 54 -11.731 -13.323 -3.282 1.00 0.00 C ATOM 869 O MET A 54 -11.975 -13.558 -4.465 1.00 0.00 O ATOM 870 CB MET A 54 -9.711 -11.903 -2.880 1.00 0.00 C ATOM 871 CG MET A 54 -9.141 -10.494 -2.820 1.00 0.00 C ATOM 872 SD MET A 54 -9.544 -9.519 -4.282 1.00 0.00 S ATOM 873 CE MET A 54 -10.844 -8.469 -3.640 1.00 0.00 C ATOM 0 H MET A 54 -10.989 -11.577 -0.797 1.00 0.00 H new ATOM 0 HA MET A 54 -11.634 -11.201 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.319 -12.481 -2.043 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.364 -12.388 -3.792 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.525 -9.988 -1.934 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.058 -10.549 -2.712 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.076 -7.691 -4.367 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.736 -9.067 -3.452 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.513 -8.009 -2.709 1.00 0.00 H new ATOM 883 N TYR A 55 -11.873 -14.226 -2.317 1.00 0.00 N ATOM 884 CA TYR A 55 -12.335 -15.581 -2.596 1.00 0.00 C ATOM 885 C TYR A 55 -13.849 -15.617 -2.809 1.00 0.00 C ATOM 886 O TYR A 55 -14.382 -16.536 -3.424 1.00 0.00 O ATOM 887 CB TYR A 55 -11.936 -16.532 -1.466 1.00 0.00 C ATOM 888 CG TYR A 55 -12.121 -17.994 -1.810 1.00 0.00 C ATOM 889 CD1 TYR A 55 -11.139 -18.703 -2.497 1.00 0.00 C ATOM 890 CD2 TYR A 55 -13.281 -18.666 -1.448 1.00 0.00 C ATOM 891 CE1 TYR A 55 -11.310 -20.040 -2.812 1.00 0.00 C ATOM 892 CE2 TYR A 55 -13.460 -20.001 -1.760 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.473 -20.682 -2.442 1.00 0.00 C ATOM 894 OH TYR A 55 -12.650 -22.011 -2.752 1.00 0.00 O ATOM 0 H TYR A 55 -11.674 -14.043 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.855 -15.912 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.892 -16.358 -1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.527 -16.298 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.228 -18.201 -2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -14.056 -18.137 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.538 -20.577 -3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -14.369 -20.508 -1.471 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.522 -22.311 -2.420 1.00 0.00 H new ATOM 904 N GLU A 56 -14.546 -14.629 -2.276 1.00 0.00 N ATOM 905 CA GLU A 56 -15.994 -14.570 -2.413 1.00 0.00 C ATOM 906 C GLU A 56 -16.408 -13.788 -3.656 1.00 0.00 C ATOM 907 O GLU A 56 -17.421 -14.094 -4.283 1.00 0.00 O ATOM 908 CB GLU A 56 -16.599 -13.977 -1.152 1.00 0.00 C ATOM 909 CG GLU A 56 -16.089 -14.674 0.093 1.00 0.00 C ATOM 910 CD GLU A 56 -17.208 -15.175 0.987 1.00 0.00 C ATOM 911 OE1 GLU A 56 -17.993 -16.033 0.531 1.00 0.00 O ATOM 912 OE2 GLU A 56 -17.298 -14.710 2.143 1.00 0.00 O ATOM 0 H GLU A 56 -14.137 -13.859 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.376 -15.583 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.361 -12.915 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.685 -14.058 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.459 -15.515 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.460 -13.986 0.657 1.00 0.00 H new ATOM 919 N SER A 57 -15.613 -12.783 -4.013 1.00 0.00 N ATOM 920 CA SER A 57 -15.899 -11.967 -5.188 1.00 0.00 C ATOM 921 C SER A 57 -15.748 -12.797 -6.459 1.00 0.00 C ATOM 922 O SER A 57 -16.641 -12.825 -7.305 1.00 0.00 O ATOM 923 CB SER A 57 -14.964 -10.757 -5.236 1.00 0.00 C ATOM 924 OG SER A 57 -15.562 -9.626 -4.628 1.00 0.00 O ATOM 0 H SER A 57 -14.769 -12.515 -3.507 1.00 0.00 H new ATOM 0 HA SER A 57 -16.927 -11.612 -5.121 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.030 -10.995 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.714 -10.527 -6.272 1.00 0.00 H new ATOM 0 HG SER A 57 -15.261 -9.557 -3.698 1.00 0.00 H new ATOM 930 N ALA A 58 -14.616 -13.484 -6.575 1.00 0.00 N ATOM 931 CA ALA A 58 -14.343 -14.333 -7.724 1.00 0.00 C ATOM 932 C ALA A 58 -15.181 -15.582 -7.680 1.00 0.00 C ATOM 933 O ALA A 58 -15.184 -16.300 -6.688 1.00 0.00 O ATOM 934 CB ALA A 58 -12.874 -14.717 -7.768 1.00 0.00 C ATOM 0 H ALA A 58 -13.869 -13.467 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.595 -13.767 -8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.690 -15.352 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.265 -13.816 -7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.612 -15.259 -6.859 1.00 0.00 H new ATOM 940 N ASN A 59 -15.849 -15.868 -8.777 1.00 0.00 N ATOM 941 CA ASN A 59 -16.629 -17.082 -8.862 1.00 0.00 C ATOM 942 C ASN A 59 -15.778 -18.133 -9.554 1.00 0.00 C ATOM 943 O ASN A 59 -16.233 -19.238 -9.838 1.00 0.00 O ATOM 944 CB ASN A 59 -17.941 -16.879 -9.621 1.00 0.00 C ATOM 945 CG ASN A 59 -18.708 -15.664 -9.139 1.00 0.00 C ATOM 946 OD1 ASN A 59 -18.210 -14.881 -8.330 1.00 0.00 O ATOM 947 ND2 ASN A 59 -19.929 -15.499 -9.635 1.00 0.00 N ATOM 0 H ASN A 59 -15.868 -15.284 -9.613 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.902 -17.398 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.729 -16.772 -10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.564 -17.766 -9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.492 -14.699 -9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.303 -16.172 -10.304 1.00 0.00 H new ATOM 954 N SER A 60 -14.525 -17.761 -9.824 1.00 0.00 N ATOM 955 CA SER A 60 -13.591 -18.663 -10.487 1.00 0.00 C ATOM 956 C SER A 60 -12.153 -18.346 -10.092 1.00 0.00 C ATOM 957 O SER A 60 -11.859 -17.256 -9.600 1.00 0.00 O ATOM 958 CB SER A 60 -13.748 -18.565 -12.005 1.00 0.00 C ATOM 959 OG SER A 60 -12.694 -19.239 -12.672 1.00 0.00 O ATOM 0 H SER A 60 -14.138 -16.846 -9.594 1.00 0.00 H new ATOM 0 HA SER A 60 -13.819 -19.680 -10.169 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.704 -18.994 -12.303 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.761 -17.517 -12.305 1.00 0.00 H new ATOM 0 HG SER A 60 -12.819 -19.163 -13.641 1.00 0.00 H new ATOM 965 N ARG A 61 -11.260 -19.306 -10.311 1.00 0.00 N ATOM 966 CA ARG A 61 -9.853 -19.128 -9.979 1.00 0.00 C ATOM 967 C ARG A 61 -9.259 -17.951 -10.747 1.00 0.00 C ATOM 968 O ARG A 61 -8.635 -17.066 -10.162 1.00 0.00 O ATOM 969 CB ARG A 61 -9.066 -20.401 -10.292 1.00 0.00 C ATOM 970 CG ARG A 61 -7.588 -20.299 -9.954 1.00 0.00 C ATOM 971 CD ARG A 61 -6.763 -21.276 -10.774 1.00 0.00 C ATOM 972 NE ARG A 61 -6.309 -20.688 -12.032 1.00 0.00 N ATOM 973 CZ ARG A 61 -5.313 -21.181 -12.765 1.00 0.00 C ATOM 974 NH1 ARG A 61 -4.665 -22.269 -12.368 1.00 0.00 N ATOM 975 NH2 ARG A 61 -4.966 -20.585 -13.898 1.00 0.00 N ATOM 0 H ARG A 61 -11.487 -20.214 -10.717 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.782 -18.919 -8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.501 -21.233 -9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.173 -20.633 -11.352 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.240 -19.283 -10.139 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.441 -20.498 -8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.900 -21.599 -10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.357 -22.166 -10.983 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.783 -19.850 -12.369 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.929 -22.731 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.903 -22.643 -12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.462 -19.749 -14.207 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.203 -20.962 -14.460 1.00 0.00 H new ATOM 989 N ASP A 62 -9.458 -17.949 -12.062 1.00 0.00 N ATOM 990 CA ASP A 62 -8.943 -16.882 -12.915 1.00 0.00 C ATOM 991 C ASP A 62 -9.357 -15.513 -12.384 1.00 0.00 C ATOM 992 O ASP A 62 -8.523 -14.621 -12.224 1.00 0.00 O ATOM 993 CB ASP A 62 -9.447 -17.059 -14.349 1.00 0.00 C ATOM 994 CG ASP A 62 -8.445 -16.573 -15.378 1.00 0.00 C ATOM 995 OD1 ASP A 62 -7.234 -16.570 -15.071 1.00 0.00 O ATOM 996 OD2 ASP A 62 -8.871 -16.198 -16.490 1.00 0.00 O ATOM 0 H ASP A 62 -9.973 -18.675 -12.561 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.855 -16.940 -12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.665 -18.112 -14.527 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.383 -16.514 -14.472 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.647 -15.358 -12.106 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.167 -14.100 -11.584 1.00 0.00 C ATOM 1003 C GLU A 63 -10.524 -13.772 -10.242 1.00 0.00 C ATOM 1004 O GLU A 63 -10.230 -12.614 -9.950 1.00 0.00 O ATOM 1005 CB GLU A 63 -12.687 -14.174 -11.434 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.310 -12.892 -10.907 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.782 -12.774 -11.250 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -15.160 -13.154 -12.379 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -15.556 -12.303 -10.391 1.00 0.00 O ATOM 0 H GLU A 63 -11.350 -16.086 -12.233 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.922 -13.307 -12.291 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.128 -14.411 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.938 -14.993 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.189 -12.852 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.775 -12.036 -11.319 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.304 -14.803 -9.433 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.690 -14.630 -8.121 1.00 0.00 C ATOM 1018 C TYR A 64 -8.293 -14.033 -8.254 1.00 0.00 C ATOM 1019 O TYR A 64 -7.911 -13.142 -7.496 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.622 -15.977 -7.393 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.892 -15.926 -6.068 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.233 -14.991 -5.098 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.864 -16.816 -5.787 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.569 -14.945 -3.887 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.196 -16.777 -4.578 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.552 -15.840 -3.632 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.890 -15.798 -2.426 1.00 0.00 O ATOM 0 H TYR A 64 -10.542 -15.768 -9.663 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.303 -13.941 -7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.636 -16.338 -7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.129 -16.703 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.030 -14.289 -5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.582 -17.551 -6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.845 -14.212 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.399 -17.477 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.498 -15.471 -1.730 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.534 -14.534 -9.224 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.178 -14.054 -9.462 1.00 0.00 C ATOM 1039 C TYR A 65 -6.189 -12.719 -10.204 1.00 0.00 C ATOM 1040 O TYR A 65 -5.270 -11.913 -10.064 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.384 -15.092 -10.259 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.100 -15.519 -9.585 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.142 -14.582 -9.216 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -3.844 -16.858 -9.319 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -1.966 -14.969 -8.601 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.672 -17.252 -8.703 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.736 -16.304 -8.346 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.567 -16.693 -7.734 1.00 0.00 O ATOM 0 H TYR A 65 -7.836 -15.273 -9.858 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.698 -13.901 -8.495 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.009 -15.970 -10.420 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.150 -14.682 -11.242 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.319 -13.535 -9.413 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.574 -17.604 -9.598 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.231 -14.229 -8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.490 -18.297 -8.502 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.563 -17.667 -7.626 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.229 -12.496 -11.001 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.353 -11.264 -11.772 1.00 0.00 C ATOM 1060 C HIS A 66 -7.893 -10.123 -10.914 1.00 0.00 C ATOM 1061 O HIS A 66 -7.262 -9.073 -10.793 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.268 -11.484 -12.978 1.00 0.00 C ATOM 1063 CG HIS A 66 -7.547 -11.970 -14.196 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -6.239 -12.403 -14.174 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -7.960 -12.092 -15.480 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -5.877 -12.770 -15.391 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -6.903 -12.591 -16.201 1.00 0.00 N ATOM 0 H HIS A 66 -7.999 -13.153 -11.130 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.357 -10.987 -12.119 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.040 -12.206 -12.711 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.774 -10.548 -13.215 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.938 -11.843 -15.865 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.907 -13.151 -15.674 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.910 -12.791 -17.201 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.067 -10.332 -10.325 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.695 -9.316 -9.484 1.00 0.00 C ATOM 1078 C LEU A 67 -8.743 -8.841 -8.386 1.00 0.00 C ATOM 1079 O LEU A 67 -8.838 -7.708 -7.916 1.00 0.00 O ATOM 1080 CB LEU A 67 -11.004 -9.856 -8.884 1.00 0.00 C ATOM 1081 CG LEU A 67 -10.963 -10.238 -7.399 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -12.344 -10.663 -6.923 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -9.948 -11.346 -7.154 1.00 0.00 C ATOM 0 H LEU A 67 -9.603 -11.195 -10.414 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.931 -8.454 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.780 -9.103 -9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.306 -10.734 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.654 -9.362 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.299 -10.931 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.045 -9.839 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.679 -11.524 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.936 -11.601 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.223 -12.226 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.958 -11.006 -7.457 1.00 0.00 H new ATOM 1095 N LEU A 68 -7.824 -9.714 -7.984 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.857 -9.380 -6.944 1.00 0.00 C ATOM 1097 C LEU A 68 -5.812 -8.401 -7.469 1.00 0.00 C ATOM 1098 O LEU A 68 -5.299 -7.568 -6.723 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.173 -10.648 -6.429 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.567 -10.533 -5.029 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -5.624 -11.873 -4.311 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.135 -10.028 -5.109 1.00 0.00 C ATOM 0 H LEU A 68 -7.729 -10.657 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.393 -8.906 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.900 -11.460 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.384 -10.927 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.153 -9.813 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.189 -11.772 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.662 -12.194 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.063 -12.614 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.719 -9.952 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.536 -10.723 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.121 -9.046 -5.582 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.503 -8.508 -8.757 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.518 -7.632 -9.381 1.00 0.00 C ATOM 1116 C ALA A 69 -5.016 -6.191 -9.428 1.00 0.00 C ATOM 1117 O ALA A 69 -4.244 -5.252 -9.235 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.189 -8.123 -10.782 1.00 0.00 C ATOM 0 H ALA A 69 -5.920 -9.192 -9.389 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.612 -7.656 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.453 -7.460 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.783 -9.133 -10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.095 -8.128 -11.388 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.310 -6.024 -9.682 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.909 -4.696 -9.751 1.00 0.00 C ATOM 1126 C GLU A 70 -6.717 -3.945 -8.438 1.00 0.00 C ATOM 1127 O GLU A 70 -6.465 -2.740 -8.430 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.400 -4.802 -10.079 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.695 -4.823 -11.570 1.00 0.00 C ATOM 1130 CD GLU A 70 -7.944 -5.920 -12.298 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -8.420 -7.075 -12.284 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -6.881 -5.625 -12.882 1.00 0.00 O ATOM 0 H GLU A 70 -6.963 -6.791 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.409 -4.139 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.800 -5.709 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.924 -3.961 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.766 -4.958 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.430 -3.858 -12.002 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.837 -4.667 -7.327 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.673 -4.069 -6.007 1.00 0.00 C ATOM 1141 C LYS A 71 -5.223 -3.658 -5.776 1.00 0.00 C ATOM 1142 O LYS A 71 -4.936 -2.499 -5.479 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.118 -5.050 -4.921 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.599 -5.391 -4.979 1.00 0.00 C ATOM 1145 CD LYS A 71 -9.271 -5.196 -3.629 1.00 0.00 C ATOM 1146 CE LYS A 71 -9.389 -3.723 -3.274 1.00 0.00 C ATOM 1147 NZ LYS A 71 -10.537 -3.074 -3.965 1.00 0.00 N ATOM 0 H LYS A 71 -7.047 -5.665 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.298 -3.177 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.538 -5.968 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.889 -4.625 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.089 -4.764 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.723 -6.425 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.263 -5.648 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.699 -5.713 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.508 -3.618 -2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.466 -3.210 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.582 -2.070 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.411 -3.151 -4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.421 -3.547 -3.688 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.312 -4.615 -5.918 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.892 -4.351 -5.729 1.00 0.00 C ATOM 1163 C ILE A 72 -2.382 -3.358 -6.767 1.00 0.00 C ATOM 1164 O ILE A 72 -1.473 -2.572 -6.499 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.059 -5.645 -5.822 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.666 -6.738 -4.937 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.615 -5.377 -5.426 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.861 -6.314 -3.497 1.00 0.00 C ATOM 0 H ILE A 72 -4.533 -5.580 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.777 -3.928 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.074 -5.992 -6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.628 -7.037 -5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.020 -7.616 -4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.041 -6.301 -5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.187 -4.631 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.581 -5.007 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.294 -7.138 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.898 -6.043 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.531 -5.455 -3.458 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.978 -3.398 -7.953 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.594 -2.504 -9.038 1.00 0.00 C ATOM 1182 C TYR A 73 -2.936 -1.056 -8.690 1.00 0.00 C ATOM 1183 O TYR A 73 -2.073 -0.179 -8.722 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.296 -2.922 -10.335 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.237 -1.884 -11.435 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -2.029 -1.315 -11.818 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.391 -1.475 -12.088 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.974 -0.367 -12.821 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.346 -0.527 -13.093 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.135 0.023 -13.456 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.085 0.966 -14.456 1.00 0.00 O ATOM 0 H TYR A 73 -3.732 -4.043 -8.188 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.516 -2.574 -9.182 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.845 -3.846 -10.698 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.340 -3.143 -10.115 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.118 -1.619 -11.324 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.341 -1.905 -11.806 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.027 0.067 -13.107 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.254 -0.219 -13.591 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.989 1.127 -14.799 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.201 -0.815 -8.360 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.657 0.524 -8.007 1.00 0.00 C ATOM 1203 C LYS A 74 -3.932 1.037 -6.767 1.00 0.00 C ATOM 1204 O LYS A 74 -3.491 2.186 -6.725 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.167 0.524 -7.767 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.809 1.892 -7.930 1.00 0.00 C ATOM 1207 CD LYS A 74 -8.288 1.777 -8.259 1.00 0.00 C ATOM 1208 CE LYS A 74 -9.039 3.051 -7.902 1.00 0.00 C ATOM 1209 NZ LYS A 74 -9.710 2.947 -6.578 1.00 0.00 N ATOM 0 H LYS A 74 -4.928 -1.530 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.429 1.190 -8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.637 -0.173 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.367 0.156 -6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.683 2.466 -7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.301 2.442 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.410 1.567 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.718 0.935 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.345 3.891 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.783 3.261 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.210 3.835 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.391 2.161 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.998 2.772 -5.841 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.811 0.179 -5.760 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.140 0.548 -4.519 1.00 0.00 C ATOM 1225 C ILE A 75 -1.642 0.734 -4.742 1.00 0.00 C ATOM 1226 O ILE A 75 -1.000 1.541 -4.070 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.358 -0.514 -3.423 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.851 -0.812 -3.262 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.762 -0.047 -2.103 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.137 -2.210 -2.759 1.00 0.00 C ATOM 0 H ILE A 75 -4.169 -0.776 -5.779 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.577 1.491 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.852 -1.432 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.285 -0.090 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.347 -0.671 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.925 -0.809 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.692 0.120 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.242 0.882 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.214 -2.351 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.733 -2.939 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.670 -2.348 -1.784 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.090 -0.018 -5.689 1.00 0.00 N ATOM 1243 CA GLN A 76 0.331 0.066 -6.001 1.00 0.00 C ATOM 1244 C GLN A 76 0.709 1.476 -6.442 1.00 0.00 C ATOM 1245 O GLN A 76 1.743 2.009 -6.039 1.00 0.00 O ATOM 1246 CB GLN A 76 0.697 -0.940 -7.095 1.00 0.00 C ATOM 1247 CG GLN A 76 1.250 -2.249 -6.557 1.00 0.00 C ATOM 1248 CD GLN A 76 2.756 -2.349 -6.704 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.488 -1.420 -6.364 1.00 0.00 O ATOM 1250 NE2 GLN A 76 3.227 -3.482 -7.214 1.00 0.00 N ATOM 0 H GLN A 76 -1.606 -0.693 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 76 0.890 -0.174 -5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.188 -1.149 -7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.434 -0.489 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.984 -2.346 -5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.781 -3.081 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.584 -4.227 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.232 -3.607 -7.337 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.138 2.077 -7.272 1.00 0.00 N ATOM 1260 CA LYS A 77 0.104 3.426 -7.768 1.00 0.00 C ATOM 1261 C LYS A 77 -0.236 4.467 -6.705 1.00 0.00 C ATOM 1262 O LYS A 77 0.338 5.555 -6.683 1.00 0.00 O ATOM 1263 CB LYS A 77 -0.721 3.683 -9.031 1.00 0.00 C ATOM 1264 CG LYS A 77 -0.343 2.782 -10.196 1.00 0.00 C ATOM 1265 CD LYS A 77 -1.004 3.237 -11.488 1.00 0.00 C ATOM 1266 CE LYS A 77 -0.071 3.075 -12.678 1.00 0.00 C ATOM 1267 NZ LYS A 77 1.104 3.985 -12.589 1.00 0.00 N ATOM 0 H LYS A 77 -0.998 1.650 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 77 1.163 3.512 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.777 3.542 -8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.597 4.723 -9.331 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.740 2.781 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.639 1.756 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.913 2.660 -11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.302 4.282 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.273 2.042 -12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.618 3.277 -13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.473 4.169 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.816 4.883 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.845 3.539 -12.011 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.172 4.124 -5.824 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.587 5.029 -4.757 1.00 0.00 C ATOM 1283 C GLU A 78 -0.402 5.427 -3.883 1.00 0.00 C ATOM 1284 O GLU A 78 -0.391 6.505 -3.290 1.00 0.00 O ATOM 1285 CB GLU A 78 -2.671 4.374 -3.899 1.00 0.00 C ATOM 1286 CG GLU A 78 -3.637 5.369 -3.276 1.00 0.00 C ATOM 1287 CD GLU A 78 -4.303 4.829 -2.026 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -3.624 4.126 -1.247 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -5.504 5.107 -1.826 1.00 0.00 O ATOM 0 H GLU A 78 -1.657 3.227 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.991 5.930 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.233 3.670 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.196 3.796 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.101 6.286 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.402 5.633 -4.006 1.00 0.00 H new ATOM 1296 N LEU A 79 0.594 4.548 -3.806 1.00 0.00 N ATOM 1297 CA LEU A 79 1.784 4.809 -3.003 1.00 0.00 C ATOM 1298 C LEU A 79 2.457 6.111 -3.427 1.00 0.00 C ATOM 1299 O LEU A 79 3.063 6.803 -2.609 1.00 0.00 O ATOM 1300 CB LEU A 79 2.772 3.648 -3.127 1.00 0.00 C ATOM 1301 CG LEU A 79 3.654 3.415 -1.899 1.00 0.00 C ATOM 1302 CD1 LEU A 79 3.986 1.938 -1.753 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.927 4.242 -1.995 1.00 0.00 C ATOM 0 H LEU A 79 0.600 3.650 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 79 1.473 4.906 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.213 2.735 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.415 3.828 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 79 3.103 3.732 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.614 1.791 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.064 1.367 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.518 1.595 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.543 4.065 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.481 3.955 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.670 5.300 -2.051 1.00 0.00 H new ATOM 1315 N GLU A 80 2.344 6.439 -4.711 1.00 0.00 N ATOM 1316 CA GLU A 80 2.941 7.659 -5.242 1.00 0.00 C ATOM 1317 C GLU A 80 2.295 8.895 -4.624 1.00 0.00 C ATOM 1318 O GLU A 80 2.932 9.940 -4.493 1.00 0.00 O ATOM 1319 CB GLU A 80 2.797 7.701 -6.764 1.00 0.00 C ATOM 1320 CG GLU A 80 3.849 8.555 -7.451 1.00 0.00 C ATOM 1321 CD GLU A 80 3.356 9.958 -7.753 1.00 0.00 C ATOM 1322 OE1 GLU A 80 3.497 10.838 -6.878 1.00 0.00 O ATOM 1323 OE2 GLU A 80 2.828 10.174 -8.864 1.00 0.00 O ATOM 0 H GLU A 80 1.845 5.878 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 80 4.000 7.658 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.854 6.685 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.808 8.084 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.734 8.613 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.153 8.073 -8.380 1.00 0.00 H new ATOM 1330 N GLU A 81 1.028 8.769 -4.244 1.00 0.00 N ATOM 1331 CA GLU A 81 0.296 9.876 -3.639 1.00 0.00 C ATOM 1332 C GLU A 81 0.598 9.981 -2.147 1.00 0.00 C ATOM 1333 O GLU A 81 0.510 11.060 -1.562 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.208 9.697 -3.854 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.671 10.068 -5.254 1.00 0.00 C ATOM 1336 CD GLU A 81 -1.119 9.137 -6.315 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -1.475 7.940 -6.299 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -0.331 9.605 -7.164 1.00 0.00 O ATOM 0 H GLU A 81 0.486 7.911 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 81 0.620 10.798 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.474 8.659 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.746 10.308 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.760 10.049 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.363 11.090 -5.476 1.00 0.00 H new ATOM 1345 N LYS A 82 0.956 8.855 -1.537 1.00 0.00 N ATOM 1346 CA LYS A 82 1.269 8.824 -0.112 1.00 0.00 C ATOM 1347 C LYS A 82 2.413 9.777 0.217 1.00 0.00 C ATOM 1348 O LYS A 82 2.342 10.537 1.184 1.00 0.00 O ATOM 1349 CB LYS A 82 1.636 7.402 0.319 1.00 0.00 C ATOM 1350 CG LYS A 82 0.440 6.567 0.744 1.00 0.00 C ATOM 1351 CD LYS A 82 -0.323 7.225 1.883 1.00 0.00 C ATOM 1352 CE LYS A 82 -1.577 7.925 1.384 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.897 9.135 2.192 1.00 0.00 N ATOM 0 H LYS A 82 1.037 7.953 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 82 0.383 9.147 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.144 6.901 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.345 7.453 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.226 6.424 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.777 5.578 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.595 6.472 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.322 7.946 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.443 8.210 0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.418 7.232 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.758 9.583 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.051 8.860 3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.106 9.808 2.138 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.545 3.612 7.501 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.365 2.847 7.888 1.00 0.00 C ATOM 1548 C GLU B 94 -5.554 2.436 6.663 1.00 0.00 C ATOM 1549 O GLU B 94 -4.338 2.267 6.741 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.773 1.606 8.684 1.00 0.00 C ATOM 1551 CG GLU B 94 -5.797 1.246 9.792 1.00 0.00 C ATOM 1552 CD GLU B 94 -6.222 0.012 10.565 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -5.885 -1.107 10.127 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -6.891 0.167 11.608 1.00 0.00 O ATOM 0 HA GLU B 94 -5.742 3.484 8.516 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.759 1.771 9.119 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -6.863 0.761 8.002 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -4.810 1.078 9.361 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -5.706 2.087 10.479 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.234 2.280 5.530 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.574 1.891 4.290 1.00 0.00 C ATOM 1563 C LEU B 95 -4.444 2.859 3.950 1.00 0.00 C ATOM 1564 O LEU B 95 -3.402 2.456 3.434 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.584 1.844 3.141 1.00 0.00 C ATOM 1566 CG LEU B 95 -5.993 1.506 1.772 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -5.700 0.017 1.669 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.938 1.943 0.663 1.00 0.00 C ATOM 0 H LEU B 95 -7.241 2.417 5.446 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.149 0.897 4.430 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.350 1.107 3.381 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.082 2.811 3.076 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.054 2.048 1.658 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -5.280 -0.204 0.688 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -4.986 -0.268 2.442 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.624 -0.546 1.803 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.502 1.695 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.892 1.428 0.774 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -7.098 3.020 0.724 1.00 0.00 H new ATOM 1580 N SER B 96 -4.660 4.137 4.246 1.00 0.00 N ATOM 1581 CA SER B 96 -3.661 5.163 3.977 1.00 0.00 C ATOM 1582 C SER B 96 -2.559 5.140 5.031 1.00 0.00 C ATOM 1583 O SER B 96 -1.406 5.460 4.745 1.00 0.00 O ATOM 1584 CB SER B 96 -4.317 6.545 3.938 1.00 0.00 C ATOM 1585 OG SER B 96 -4.980 6.761 2.705 1.00 0.00 O ATOM 0 H SER B 96 -5.518 4.486 4.672 1.00 0.00 H new ATOM 0 HA SER B 96 -3.213 4.953 3.006 1.00 0.00 H new ATOM 0 HB2 SER B 96 -5.029 6.636 4.758 1.00 0.00 H new ATOM 0 HB3 SER B 96 -3.560 7.315 4.087 1.00 0.00 H new ATOM 0 HG SER B 96 -5.392 7.650 2.706 1.00 0.00 H new ATOM 1591 N ASP B 97 -2.924 4.758 6.252 1.00 0.00 N ATOM 1592 CA ASP B 97 -1.966 4.692 7.349 1.00 0.00 C ATOM 1593 C ASP B 97 -0.927 3.604 7.101 1.00 0.00 C ATOM 1594 O ASP B 97 0.277 3.856 7.156 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.690 4.430 8.671 1.00 0.00 C ATOM 1596 CG ASP B 97 -1.924 4.964 9.866 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -1.074 5.859 9.675 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -2.174 4.486 10.992 1.00 0.00 O ATOM 0 H ASP B 97 -3.875 4.490 6.505 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.453 5.652 7.407 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.677 4.892 8.639 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -2.844 3.358 8.791 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.400 2.392 6.827 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.512 1.265 6.569 1.00 0.00 C ATOM 1605 C LEU B 98 0.381 1.540 5.364 1.00 0.00 C ATOM 1606 O LEU B 98 1.547 1.146 5.340 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.325 -0.009 6.336 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.273 -0.390 7.474 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.452 -1.190 6.942 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.531 -1.177 8.543 1.00 0.00 C ATOM 0 H LEU B 98 -2.393 2.166 6.778 1.00 0.00 H new ATOM 0 HA LEU B 98 0.123 1.127 7.444 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.908 0.112 5.423 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.635 -0.836 6.166 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.656 0.526 7.925 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -4.115 -1.452 7.766 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.998 -0.592 6.213 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.089 -2.100 6.465 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.220 -1.440 9.345 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.119 -2.086 8.105 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.721 -0.569 8.946 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.173 2.220 4.366 1.00 0.00 N ATOM 1623 CA LEU B 99 0.575 2.549 3.158 1.00 0.00 C ATOM 1624 C LEU B 99 1.626 3.618 3.442 1.00 0.00 C ATOM 1625 O LEU B 99 2.682 3.648 2.811 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.376 3.030 2.060 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.002 2.593 0.642 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -0.578 1.218 0.339 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -0.489 3.612 -0.375 1.00 0.00 C ATOM 0 H LEU B 99 -1.137 2.554 4.370 1.00 0.00 H new ATOM 0 HA LEU B 99 1.084 1.647 2.819 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.379 2.666 2.284 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.419 4.119 2.089 1.00 0.00 H new ATOM 0 HG LEU B 99 1.084 2.533 0.575 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -0.302 0.923 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -0.181 0.493 1.049 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -1.664 1.252 0.424 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.214 3.285 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.573 3.704 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.029 4.579 -0.170 1.00 0.00 H new ATOM 1641 N ASP B 100 1.329 4.493 4.397 1.00 0.00 N ATOM 1642 CA ASP B 100 2.248 5.564 4.766 1.00 0.00 C ATOM 1643 C ASP B 100 3.521 4.997 5.386 1.00 0.00 C ATOM 1644 O ASP B 100 4.602 5.569 5.240 1.00 0.00 O ATOM 1645 CB ASP B 100 1.575 6.528 5.745 1.00 0.00 C ATOM 1646 CG ASP B 100 2.432 7.744 6.038 1.00 0.00 C ATOM 1647 OD1 ASP B 100 3.163 8.188 5.129 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.370 8.252 7.178 1.00 0.00 O ATOM 0 H ASP B 100 0.459 4.482 4.930 1.00 0.00 H new ATOM 0 HA ASP B 100 2.517 6.107 3.860 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.619 6.851 5.333 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.360 6.005 6.677 1.00 0.00 H new ATOM 1653 N PHE B 101 3.386 3.870 6.077 1.00 0.00 N ATOM 1654 CA PHE B 101 4.526 3.225 6.719 1.00 0.00 C ATOM 1655 C PHE B 101 5.590 2.854 5.692 1.00 0.00 C ATOM 1656 O PHE B 101 6.779 3.099 5.899 1.00 0.00 O ATOM 1657 CB PHE B 101 4.070 1.976 7.476 1.00 0.00 C ATOM 1658 CG PHE B 101 5.127 1.400 8.376 1.00 0.00 C ATOM 1659 CD1 PHE B 101 6.258 0.801 7.846 1.00 0.00 C ATOM 1660 CD2 PHE B 101 4.987 1.458 9.754 1.00 0.00 C ATOM 1661 CE1 PHE B 101 7.230 0.271 8.672 1.00 0.00 C ATOM 1662 CE2 PHE B 101 5.956 0.929 10.586 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.079 0.335 10.044 1.00 0.00 C ATOM 0 H PHE B 101 2.499 3.384 6.207 1.00 0.00 H new ATOM 0 HA PHE B 101 4.962 3.931 7.426 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.192 2.223 8.072 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.764 1.217 6.757 1.00 0.00 H new ATOM 0 HD1 PHE B 101 6.381 0.748 6.774 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.111 1.922 10.182 1.00 0.00 H new ATOM 0 HE1 PHE B 101 8.107 -0.193 8.246 1.00 0.00 H new ATOM 0 HE2 PHE B 101 5.835 0.980 11.658 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.838 -0.079 10.692 1.00 0.00 H new ATOM 1673 N SER B 102 5.155 2.259 4.586 1.00 0.00 N ATOM 1674 CA SER B 102 6.070 1.853 3.527 1.00 0.00 C ATOM 1675 C SER B 102 6.386 3.023 2.601 1.00 0.00 C ATOM 1676 O SER B 102 7.512 3.166 2.125 1.00 0.00 O ATOM 1677 CB SER B 102 5.471 0.697 2.722 1.00 0.00 C ATOM 1678 OG SER B 102 6.488 -0.114 2.159 1.00 0.00 O ATOM 0 H SER B 102 4.175 2.048 4.400 1.00 0.00 H new ATOM 0 HA SER B 102 6.998 1.521 3.992 1.00 0.00 H new ATOM 0 HB2 SER B 102 4.835 0.092 3.368 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.836 1.093 1.929 1.00 0.00 H new ATOM 0 HG SER B 102 6.855 -0.705 2.849 1.00 0.00 H new ATOM 1684 N ALA B 103 5.382 3.857 2.346 1.00 0.00 N ATOM 1685 CA ALA B 103 5.553 5.015 1.478 1.00 0.00 C ATOM 1686 C ALA B 103 6.593 5.977 2.041 1.00 0.00 C ATOM 1687 O ALA B 103 7.365 6.580 1.295 1.00 0.00 O ATOM 1688 CB ALA B 103 4.223 5.729 1.283 1.00 0.00 C ATOM 0 H ALA B 103 4.442 3.752 2.728 1.00 0.00 H new ATOM 0 HA ALA B 103 5.910 4.662 0.511 1.00 0.00 H new ATOM 0 HB1 ALA B 103 4.365 6.592 0.633 1.00 0.00 H new ATOM 0 HB2 ALA B 103 3.506 5.046 0.827 1.00 0.00 H new ATOM 0 HB3 ALA B 103 3.843 6.061 2.249 1.00 0.00 H new ATOM 1694 N MET B 104 6.608 6.115 3.363 1.00 0.00 N ATOM 1695 CA MET B 104 7.555 7.005 4.028 1.00 0.00 C ATOM 1696 C MET B 104 8.986 6.506 3.850 1.00 0.00 C ATOM 1697 O MET B 104 9.834 7.209 3.302 1.00 0.00 O ATOM 1698 CB MET B 104 7.222 7.117 5.516 1.00 0.00 C ATOM 1699 CG MET B 104 7.828 8.339 6.184 1.00 0.00 C ATOM 1700 SD MET B 104 7.642 8.315 7.978 1.00 0.00 S ATOM 1701 CE MET B 104 9.355 8.266 8.496 1.00 0.00 C ATOM 0 H MET B 104 5.976 5.623 3.995 1.00 0.00 H new ATOM 0 HA MET B 104 7.474 7.991 3.570 1.00 0.00 H new ATOM 0 HB2 MET B 104 6.139 7.147 5.636 1.00 0.00 H new ATOM 0 HB3 MET B 104 7.575 6.221 6.027 1.00 0.00 H new ATOM 0 HG2 MET B 104 8.887 8.397 5.933 1.00 0.00 H new ATOM 0 HG3 MET B 104 7.356 9.237 5.786 1.00 0.00 H new ATOM 0 HE1 MET B 104 9.406 8.248 9.585 1.00 0.00 H new ATOM 0 HE2 MET B 104 9.831 7.371 8.095 1.00 0.00 H new ATOM 0 HE3 MET B 104 9.873 9.150 8.124 1.00 0.00 H new