USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 655 hydrogens (21 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 1 MET CE :methyl 150:sc= -0.132 (180deg=0) USER MOD Set 1.2: A 2 ASN : amide:sc= -0.803 K(o=-4.4,f=-3.9) USER MOD Set 1.3: A 78 MET CE :methyl -112:sc= -3.44! (180deg=-7.4!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -125:sc= 0.259 (180deg=-0.04) USER MOD Set 2.2: A 14 ASN : amide:sc= -2.06! C(o=-1.8!,f=-2.9!) USER MOD Single : A 1 MET N :NH3+ 137:sc= -0.81 (180deg=-5.04!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= -3.04! (180deg=-3.91!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.178 (180deg=-0.841) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.36! USER MOD Single : A 27 SER OG : rot -140:sc= 0.167 USER MOD Single : A 28 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-4.4!) USER MOD Single : A 31 LYS NZ :NH3+ -112:sc= -0.916! (180deg=-2.86!) USER MOD Single : A 36 ASN : amide:sc= -4.63! K(o=-4.6!,f=-0.44) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc=-0.00524 X(o=-0.0052,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -5.42! K(o=-5.4!,f=-0.62) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0673 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 75 GLN : amide:sc= -5.14! C(o=-5.1!,f=-6.8!) USER MOD Single : A 76 ASN : amide:sc= -0.668! X(o=-0.67!,f=-0.53) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 177:sc= -0.0859 USER MOD Single : A 101 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.367 -7.847 8.637 1.00 0.00 N ATOM 2 CA MET A 1 -6.073 -6.556 8.850 1.00 0.00 C ATOM 3 C MET A 1 -5.131 -5.500 9.419 1.00 0.00 C ATOM 4 O MET A 1 -4.958 -4.430 8.836 1.00 0.00 O ATOM 5 CB MET A 1 -7.240 -6.793 9.809 1.00 0.00 C ATOM 6 CG MET A 1 -6.899 -6.515 11.264 1.00 0.00 C ATOM 7 SD MET A 1 -8.352 -6.508 12.330 1.00 0.00 S ATOM 8 CE MET A 1 -8.236 -8.135 13.071 1.00 0.00 C ATOM 0 H1 MET A 1 -5.970 -8.630 8.960 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.158 -7.966 7.625 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.478 -7.849 9.176 1.00 0.00 H new ATOM 0 HA MET A 1 -6.441 -6.186 7.893 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.076 -6.160 9.513 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.573 -7.826 9.714 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.197 -7.269 11.619 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.395 -5.551 11.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.672 -8.112 14.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.776 -8.854 12.456 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.189 -8.430 13.139 1.00 0.00 H new ATOM 20 N ASN A 2 -4.524 -5.808 10.559 1.00 0.00 N ATOM 21 CA ASN A 2 -3.599 -4.886 11.205 1.00 0.00 C ATOM 22 C ASN A 2 -2.291 -4.795 10.433 1.00 0.00 C ATOM 23 O ASN A 2 -1.633 -3.759 10.430 1.00 0.00 O ATOM 24 CB ASN A 2 -3.319 -5.318 12.645 1.00 0.00 C ATOM 25 CG ASN A 2 -4.588 -5.451 13.466 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.183 -4.455 13.877 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.007 -6.688 13.710 1.00 0.00 N ATOM 0 H ASN A 2 -4.656 -6.690 11.055 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.068 -3.902 11.215 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.792 -6.272 12.639 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.658 -4.591 13.118 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.854 -6.841 14.258 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.482 -7.485 13.349 1.00 0.00 H new ATOM 34 N ASP A 3 -1.916 -5.891 9.791 1.00 0.00 N ATOM 35 CA ASP A 3 -0.676 -5.942 9.023 1.00 0.00 C ATOM 36 C ASP A 3 -0.585 -4.781 8.040 1.00 0.00 C ATOM 37 O ASP A 3 0.493 -4.236 7.805 1.00 0.00 O ATOM 38 CB ASP A 3 -0.574 -7.270 8.271 1.00 0.00 C ATOM 39 CG ASP A 3 0.514 -8.168 8.828 1.00 0.00 C ATOM 40 OD1 ASP A 3 1.240 -7.725 9.742 1.00 0.00 O ATOM 41 OD2 ASP A 3 0.639 -9.315 8.350 1.00 0.00 O ATOM 0 H ASP A 3 -2.451 -6.759 9.785 1.00 0.00 H new ATOM 0 HA ASP A 3 0.155 -5.860 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.531 -7.788 8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.375 -7.073 7.217 1.00 0.00 H new ATOM 46 N VAL A 4 -1.720 -4.412 7.466 1.00 0.00 N ATOM 47 CA VAL A 4 -1.774 -3.320 6.502 1.00 0.00 C ATOM 48 C VAL A 4 -1.567 -1.966 7.170 1.00 0.00 C ATOM 49 O VAL A 4 -0.793 -1.146 6.690 1.00 0.00 O ATOM 50 CB VAL A 4 -3.113 -3.296 5.746 1.00 0.00 C ATOM 51 CG1 VAL A 4 -3.101 -4.300 4.604 1.00 0.00 C ATOM 52 CG2 VAL A 4 -4.267 -3.567 6.696 1.00 0.00 C ATOM 0 H VAL A 4 -2.620 -4.854 7.651 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.964 -3.500 5.796 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.251 -2.302 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.057 -4.268 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.299 -4.051 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.938 -5.302 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.206 -3.546 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.138 -4.547 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.286 -2.802 7.473 1.00 0.00 H new ATOM 62 N LEU A 5 -2.275 -1.725 8.263 1.00 0.00 N ATOM 63 CA LEU A 5 -2.172 -0.455 8.972 1.00 0.00 C ATOM 64 C LEU A 5 -0.800 -0.268 9.612 1.00 0.00 C ATOM 65 O LEU A 5 -0.250 0.829 9.617 1.00 0.00 O ATOM 66 CB LEU A 5 -3.260 -0.359 10.037 1.00 0.00 C ATOM 67 CG LEU A 5 -4.571 0.273 9.569 1.00 0.00 C ATOM 68 CD1 LEU A 5 -5.579 -0.804 9.200 1.00 0.00 C ATOM 69 CD2 LEU A 5 -5.136 1.187 10.646 1.00 0.00 C ATOM 0 H LEU A 5 -2.927 -2.390 8.679 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.306 0.341 8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.471 -1.361 10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.875 0.220 10.877 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.368 0.872 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.506 -0.336 8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.176 -1.419 8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.778 -1.429 10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.069 1.628 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.325 0.610 11.551 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.419 1.979 10.864 1.00 0.00 H new ATOM 81 N THR A 6 -0.267 -1.341 10.166 1.00 0.00 N ATOM 82 CA THR A 6 1.028 -1.300 10.836 1.00 0.00 C ATOM 83 C THR A 6 2.158 -0.906 9.889 1.00 0.00 C ATOM 84 O THR A 6 2.874 0.065 10.129 1.00 0.00 O ATOM 85 CB THR A 6 1.334 -2.657 11.462 1.00 0.00 C ATOM 86 OG1 THR A 6 2.719 -2.786 11.729 1.00 0.00 O ATOM 87 CG2 THR A 6 0.923 -3.816 10.584 1.00 0.00 C ATOM 0 H THR A 6 -0.711 -2.259 10.167 1.00 0.00 H new ATOM 0 HA THR A 6 0.966 -0.536 11.611 1.00 0.00 H new ATOM 0 HB THR A 6 0.754 -2.693 12.384 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.894 -3.662 12.131 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.166 -4.754 11.083 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.150 -3.770 10.400 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.457 -3.761 9.635 1.00 0.00 H new ATOM 95 N ARG A 7 2.315 -1.675 8.823 1.00 0.00 N ATOM 96 CA ARG A 7 3.361 -1.430 7.842 1.00 0.00 C ATOM 97 C ARG A 7 2.990 -0.285 6.913 1.00 0.00 C ATOM 98 O ARG A 7 3.796 0.610 6.655 1.00 0.00 O ATOM 99 CB ARG A 7 3.628 -2.696 7.027 1.00 0.00 C ATOM 100 CG ARG A 7 4.736 -2.534 5.999 1.00 0.00 C ATOM 101 CD ARG A 7 4.183 -2.123 4.643 1.00 0.00 C ATOM 102 NE ARG A 7 4.500 -3.098 3.604 1.00 0.00 N ATOM 103 CZ ARG A 7 5.496 -2.952 2.736 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.267 -1.873 2.782 1.00 0.00 N ATOM 105 NH2 ARG A 7 5.721 -3.883 1.820 1.00 0.00 N ATOM 0 H ARG A 7 1.726 -2.481 8.614 1.00 0.00 H new ATOM 0 HA ARG A 7 4.266 -1.151 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.890 -3.507 7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.711 -2.990 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.448 -1.785 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.283 -3.472 5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.101 -2.007 4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.591 -1.151 4.365 1.00 0.00 H new ATOM 0 HE ARG A 7 3.925 -3.938 3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.096 -1.154 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.031 -1.763 2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.129 -4.713 1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.486 -3.769 1.155 1.00 0.00 H new ATOM 119 N VAL A 8 1.770 -0.332 6.404 1.00 0.00 N ATOM 120 CA VAL A 8 1.282 0.686 5.488 1.00 0.00 C ATOM 121 C VAL A 8 1.228 2.059 6.151 1.00 0.00 C ATOM 122 O VAL A 8 1.729 3.042 5.606 1.00 0.00 O ATOM 123 CB VAL A 8 -0.115 0.326 4.941 1.00 0.00 C ATOM 124 CG1 VAL A 8 -0.528 1.293 3.844 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.133 -1.106 4.429 1.00 0.00 C ATOM 0 H VAL A 8 1.096 -1.069 6.611 1.00 0.00 H new ATOM 0 HA VAL A 8 1.989 0.725 4.659 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.834 0.409 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.516 1.021 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.557 2.306 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.192 1.246 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.126 -1.343 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.599 -1.216 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.114 -1.787 5.244 1.00 0.00 H new ATOM 135 N LEU A 9 0.618 2.121 7.330 1.00 0.00 N ATOM 136 CA LEU A 9 0.500 3.375 8.066 1.00 0.00 C ATOM 137 C LEU A 9 1.869 3.879 8.514 1.00 0.00 C ATOM 138 O LEU A 9 2.167 5.069 8.411 1.00 0.00 O ATOM 139 CB LEU A 9 -0.408 3.191 9.285 1.00 0.00 C ATOM 140 CG LEU A 9 0.321 2.897 10.596 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.914 4.173 11.174 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.622 2.245 11.594 1.00 0.00 C ATOM 0 H LEU A 9 0.197 1.317 7.797 1.00 0.00 H new ATOM 0 HA LEU A 9 0.061 4.116 7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.005 4.094 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.102 2.376 9.082 1.00 0.00 H new ATOM 0 HG LEU A 9 1.136 2.203 10.390 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.429 3.945 12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.622 4.600 10.464 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.116 4.890 11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.087 2.043 12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.458 2.915 11.796 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.999 1.309 11.181 1.00 0.00 H new ATOM 154 N GLU A 10 2.697 2.965 9.010 1.00 0.00 N ATOM 155 CA GLU A 10 4.032 3.314 9.476 1.00 0.00 C ATOM 156 C GLU A 10 4.899 3.795 8.324 1.00 0.00 C ATOM 157 O GLU A 10 5.761 4.658 8.491 1.00 0.00 O ATOM 158 CB GLU A 10 4.693 2.109 10.144 1.00 0.00 C ATOM 159 CG GLU A 10 5.177 1.060 9.156 1.00 0.00 C ATOM 160 CD GLU A 10 6.669 0.810 9.256 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.133 0.416 10.346 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.374 1.009 8.244 1.00 0.00 O ATOM 0 H GLU A 10 2.465 1.976 9.099 1.00 0.00 H new ATOM 0 HA GLU A 10 3.934 4.121 10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.538 2.452 10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.983 1.649 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.643 0.126 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.933 1.380 8.143 1.00 0.00 H new ATOM 169 N VAL A 11 4.669 3.214 7.159 1.00 0.00 N ATOM 170 CA VAL A 11 5.425 3.554 5.966 1.00 0.00 C ATOM 171 C VAL A 11 5.150 4.979 5.508 1.00 0.00 C ATOM 172 O VAL A 11 6.068 5.784 5.347 1.00 0.00 O ATOM 173 CB VAL A 11 5.108 2.584 4.825 1.00 0.00 C ATOM 174 CG1 VAL A 11 5.135 3.295 3.484 1.00 0.00 C ATOM 175 CG2 VAL A 11 6.070 1.408 4.842 1.00 0.00 C ATOM 0 H VAL A 11 3.958 2.498 7.014 1.00 0.00 H new ATOM 0 HA VAL A 11 6.480 3.474 6.228 1.00 0.00 H new ATOM 0 HB VAL A 11 4.099 2.198 4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.907 2.584 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.393 4.093 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.125 3.719 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.829 0.729 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.091 1.771 4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.981 0.879 5.791 1.00 0.00 H new ATOM 185 N VAL A 12 3.880 5.279 5.298 1.00 0.00 N ATOM 186 CA VAL A 12 3.466 6.604 4.855 1.00 0.00 C ATOM 187 C VAL A 12 3.867 7.673 5.866 1.00 0.00 C ATOM 188 O VAL A 12 4.381 8.730 5.497 1.00 0.00 O ATOM 189 CB VAL A 12 1.944 6.671 4.630 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.370 5.278 4.426 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.262 7.370 5.797 1.00 0.00 C ATOM 0 H VAL A 12 3.112 4.620 5.427 1.00 0.00 H new ATOM 0 HA VAL A 12 3.974 6.794 3.910 1.00 0.00 H new ATOM 0 HB VAL A 12 1.755 7.251 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.294 5.347 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.835 4.817 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.569 4.670 5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.187 7.408 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.459 6.819 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.650 8.384 5.891 1.00 0.00 H new ATOM 201 N LYS A 13 3.626 7.394 7.142 1.00 0.00 N ATOM 202 CA LYS A 13 3.959 8.331 8.207 1.00 0.00 C ATOM 203 C LYS A 13 5.453 8.638 8.223 1.00 0.00 C ATOM 204 O LYS A 13 5.857 9.787 8.401 1.00 0.00 O ATOM 205 CB LYS A 13 3.535 7.763 9.561 1.00 0.00 C ATOM 206 CG LYS A 13 4.455 6.667 10.072 1.00 0.00 C ATOM 207 CD LYS A 13 4.292 6.454 11.567 1.00 0.00 C ATOM 208 CE LYS A 13 4.525 7.742 12.338 1.00 0.00 C ATOM 209 NZ LYS A 13 5.931 8.216 12.216 1.00 0.00 N ATOM 0 H LYS A 13 3.200 6.525 7.464 1.00 0.00 H new ATOM 0 HA LYS A 13 3.419 9.259 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.504 8.571 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.522 7.368 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.241 5.737 9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.490 6.928 9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.290 6.079 11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.994 5.693 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.849 8.513 11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.285 7.584 13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.338 8.343 13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.490 7.514 11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.949 9.123 11.708 1.00 0.00 H new ATOM 223 N ASN A 14 6.270 7.603 8.043 1.00 0.00 N ATOM 224 CA ASN A 14 7.714 7.765 8.045 1.00 0.00 C ATOM 225 C ASN A 14 8.217 8.206 6.677 1.00 0.00 C ATOM 226 O ASN A 14 9.410 8.452 6.492 1.00 0.00 O ATOM 227 CB ASN A 14 8.393 6.458 8.456 1.00 0.00 C ATOM 228 CG ASN A 14 8.038 6.040 9.870 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.285 6.774 10.826 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.455 4.854 10.007 1.00 0.00 N ATOM 0 H ASN A 14 5.953 6.645 7.894 1.00 0.00 H new ATOM 0 HA ASN A 14 7.966 8.541 8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.103 5.668 7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.474 6.572 8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.193 4.519 10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.269 4.279 9.185 1.00 0.00 H new ATOM 237 N PHE A 15 7.301 8.312 5.721 1.00 0.00 N ATOM 238 CA PHE A 15 7.649 8.729 4.375 1.00 0.00 C ATOM 239 C PHE A 15 7.669 10.251 4.272 1.00 0.00 C ATOM 240 O PHE A 15 8.187 10.812 3.307 1.00 0.00 O ATOM 241 CB PHE A 15 6.663 8.146 3.362 1.00 0.00 C ATOM 242 CG PHE A 15 7.230 7.009 2.560 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.972 6.014 3.174 1.00 0.00 C ATOM 244 CD2 PHE A 15 7.020 6.937 1.192 1.00 0.00 C ATOM 245 CE1 PHE A 15 8.496 4.967 2.439 1.00 0.00 C ATOM 246 CE2 PHE A 15 7.541 5.893 0.451 1.00 0.00 C ATOM 247 CZ PHE A 15 8.279 4.907 1.076 1.00 0.00 C ATOM 0 H PHE A 15 6.310 8.113 5.858 1.00 0.00 H new ATOM 0 HA PHE A 15 8.647 8.352 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.774 7.800 3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.343 8.936 2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.143 6.056 4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.443 7.705 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.074 4.198 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.371 5.848 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.686 4.090 0.500 1.00 0.00 H new ATOM 257 N GLU A 16 7.099 10.911 5.276 1.00 0.00 N ATOM 258 CA GLU A 16 7.048 12.368 5.304 1.00 0.00 C ATOM 259 C GLU A 16 5.730 12.876 4.732 1.00 0.00 C ATOM 260 O GLU A 16 5.528 14.081 4.582 1.00 0.00 O ATOM 261 CB GLU A 16 8.220 12.956 4.517 1.00 0.00 C ATOM 262 CG GLU A 16 7.911 13.183 3.049 1.00 0.00 C ATOM 263 CD GLU A 16 8.024 14.641 2.647 1.00 0.00 C ATOM 264 OE1 GLU A 16 7.024 15.375 2.793 1.00 0.00 O ATOM 265 OE2 GLU A 16 9.111 15.047 2.186 1.00 0.00 O ATOM 0 H GLU A 16 6.666 10.459 6.081 1.00 0.00 H new ATOM 0 HA GLU A 16 7.121 12.690 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.512 13.904 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.076 12.286 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.594 12.589 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.903 12.828 2.835 1.00 0.00 H new ATOM 272 N LYS A 17 4.837 11.946 4.408 1.00 0.00 N ATOM 273 CA LYS A 17 3.542 12.293 3.846 1.00 0.00 C ATOM 274 C LYS A 17 2.592 12.817 4.919 1.00 0.00 C ATOM 275 O LYS A 17 1.753 13.676 4.649 1.00 0.00 O ATOM 276 CB LYS A 17 2.926 11.079 3.149 1.00 0.00 C ATOM 277 CG LYS A 17 3.557 10.767 1.803 1.00 0.00 C ATOM 278 CD LYS A 17 4.429 9.524 1.871 1.00 0.00 C ATOM 279 CE LYS A 17 3.826 8.376 1.077 1.00 0.00 C ATOM 280 NZ LYS A 17 4.179 7.053 1.660 1.00 0.00 N ATOM 0 H LYS A 17 4.990 10.944 4.527 1.00 0.00 H new ATOM 0 HA LYS A 17 3.697 13.087 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.025 10.209 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.859 11.253 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.775 10.623 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.157 11.616 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.422 9.753 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.554 9.222 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.742 8.483 1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.177 8.424 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.071 6.314 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.165 7.071 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.548 6.847 2.461 1.00 0.00 H new ATOM 294 N VAL A 18 2.725 12.294 6.135 1.00 0.00 N ATOM 295 CA VAL A 18 1.872 12.716 7.239 1.00 0.00 C ATOM 296 C VAL A 18 2.348 12.135 8.566 1.00 0.00 C ATOM 297 O VAL A 18 2.807 10.995 8.629 1.00 0.00 O ATOM 298 CB VAL A 18 0.410 12.294 7.008 1.00 0.00 C ATOM 299 CG1 VAL A 18 -0.499 13.512 6.966 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.283 11.479 5.730 1.00 0.00 C ATOM 0 H VAL A 18 3.412 11.581 6.379 1.00 0.00 H new ATOM 0 HA VAL A 18 1.932 13.803 7.282 1.00 0.00 H new ATOM 0 HB VAL A 18 0.098 11.667 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.528 13.192 6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.432 14.049 7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.189 14.169 6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.758 11.190 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.615 12.078 4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.900 10.584 5.806 1.00 0.00 H new ATOM 310 N ASP A 19 2.231 12.929 9.626 1.00 0.00 N ATOM 311 CA ASP A 19 2.644 12.501 10.953 1.00 0.00 C ATOM 312 C ASP A 19 1.617 11.550 11.558 1.00 0.00 C ATOM 313 O ASP A 19 0.426 11.858 11.609 1.00 0.00 O ATOM 314 CB ASP A 19 2.836 13.712 11.867 1.00 0.00 C ATOM 315 CG ASP A 19 3.988 13.528 12.835 1.00 0.00 C ATOM 316 OD1 ASP A 19 3.801 12.833 13.856 1.00 0.00 O ATOM 317 OD2 ASP A 19 5.078 14.079 12.573 1.00 0.00 O ATOM 0 H ASP A 19 1.852 13.875 9.588 1.00 0.00 H new ATOM 0 HA ASP A 19 3.593 11.973 10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.014 14.599 11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.918 13.890 12.428 1.00 0.00 H new ATOM 322 N ALA A 20 2.083 10.392 12.013 1.00 0.00 N ATOM 323 CA ALA A 20 1.200 9.397 12.611 1.00 0.00 C ATOM 324 C ALA A 20 0.436 9.979 13.793 1.00 0.00 C ATOM 325 O ALA A 20 -0.708 9.604 14.055 1.00 0.00 O ATOM 326 CB ALA A 20 1.997 8.176 13.045 1.00 0.00 C ATOM 0 H ALA A 20 3.065 10.119 11.979 1.00 0.00 H new ATOM 0 HA ALA A 20 0.473 9.094 11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.325 7.442 13.489 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.491 7.737 12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.747 8.473 13.779 1.00 0.00 H new ATOM 332 N SER A 21 1.077 10.896 14.503 1.00 0.00 N ATOM 333 CA SER A 21 0.467 11.534 15.662 1.00 0.00 C ATOM 334 C SER A 21 -0.690 12.435 15.247 1.00 0.00 C ATOM 335 O SER A 21 -1.591 12.712 16.040 1.00 0.00 O ATOM 336 CB SER A 21 1.510 12.345 16.433 1.00 0.00 C ATOM 337 OG SER A 21 2.458 11.496 17.055 1.00 0.00 O ATOM 0 H SER A 21 2.023 11.216 14.296 1.00 0.00 H new ATOM 0 HA SER A 21 0.075 10.749 16.309 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.020 13.028 15.753 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.015 12.957 17.187 1.00 0.00 H new ATOM 0 HG SER A 21 3.115 12.039 17.540 1.00 0.00 H new ATOM 343 N LYS A 22 -0.658 12.893 14.001 1.00 0.00 N ATOM 344 CA LYS A 22 -1.699 13.764 13.480 1.00 0.00 C ATOM 345 C LYS A 22 -2.778 12.958 12.763 1.00 0.00 C ATOM 346 O LYS A 22 -3.875 13.457 12.511 1.00 0.00 O ATOM 347 CB LYS A 22 -1.093 14.802 12.529 1.00 0.00 C ATOM 348 CG LYS A 22 -1.911 15.041 11.270 1.00 0.00 C ATOM 349 CD LYS A 22 -1.233 14.448 10.046 1.00 0.00 C ATOM 350 CE LYS A 22 0.015 15.230 9.668 1.00 0.00 C ATOM 351 NZ LYS A 22 -0.254 16.692 9.575 1.00 0.00 N ATOM 0 H LYS A 22 0.081 12.674 13.333 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.163 14.281 14.320 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.982 15.746 13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.092 14.477 12.243 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.901 14.600 11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.054 16.112 11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.967 13.409 10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.930 14.445 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.794 15.050 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.394 14.869 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.488 17.146 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.179 16.847 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.259 17.105 10.529 1.00 0.00 H new ATOM 365 N VAL A 23 -2.460 11.710 12.436 1.00 0.00 N ATOM 366 CA VAL A 23 -3.402 10.841 11.746 1.00 0.00 C ATOM 367 C VAL A 23 -4.471 10.309 12.696 1.00 0.00 C ATOM 368 O VAL A 23 -4.159 9.700 13.720 1.00 0.00 O ATOM 369 CB VAL A 23 -2.686 9.649 11.084 1.00 0.00 C ATOM 370 CG1 VAL A 23 -3.445 9.187 9.850 1.00 0.00 C ATOM 371 CG2 VAL A 23 -1.253 10.016 10.731 1.00 0.00 C ATOM 0 H VAL A 23 -1.558 11.279 12.638 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.877 11.448 10.976 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.661 8.824 11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.923 8.344 9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.451 8.880 10.135 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.505 10.005 9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.763 9.161 10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.253 10.857 10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.714 10.293 11.637 1.00 0.00 H new ATOM 381 N THR A 24 -5.731 10.537 12.344 1.00 0.00 N ATOM 382 CA THR A 24 -6.847 10.081 13.150 1.00 0.00 C ATOM 383 C THR A 24 -7.654 9.024 12.402 1.00 0.00 C ATOM 384 O THR A 24 -7.480 8.835 11.198 1.00 0.00 O ATOM 385 CB THR A 24 -7.743 11.257 13.538 1.00 0.00 C ATOM 386 OG1 THR A 24 -7.817 11.386 14.947 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.157 11.137 13.014 1.00 0.00 C ATOM 0 H THR A 24 -6.002 11.039 11.499 1.00 0.00 H new ATOM 0 HA THR A 24 -6.450 9.632 14.060 1.00 0.00 H new ATOM 0 HB THR A 24 -7.280 12.132 13.083 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.393 12.145 15.176 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.736 12.006 13.327 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.139 11.087 11.925 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.617 10.232 13.411 1.00 0.00 H new ATOM 395 N PRO A 25 -8.550 8.318 13.108 1.00 0.00 N ATOM 396 CA PRO A 25 -9.387 7.275 12.504 1.00 0.00 C ATOM 397 C PRO A 25 -10.261 7.819 11.379 1.00 0.00 C ATOM 398 O PRO A 25 -10.506 7.136 10.385 1.00 0.00 O ATOM 399 CB PRO A 25 -10.254 6.781 13.669 1.00 0.00 C ATOM 400 CG PRO A 25 -10.175 7.855 14.701 1.00 0.00 C ATOM 401 CD PRO A 25 -8.819 8.480 14.543 1.00 0.00 C ATOM 0 HA PRO A 25 -8.787 6.488 12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.283 6.616 13.351 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.885 5.832 14.059 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.964 8.593 14.558 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.301 7.444 15.703 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.821 9.529 14.838 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.069 7.978 15.154 1.00 0.00 H new ATOM 409 N GLU A 26 -10.725 9.053 11.542 1.00 0.00 N ATOM 410 CA GLU A 26 -11.565 9.693 10.542 1.00 0.00 C ATOM 411 C GLU A 26 -10.772 10.727 9.748 1.00 0.00 C ATOM 412 O GLU A 26 -11.344 11.540 9.023 1.00 0.00 O ATOM 413 CB GLU A 26 -12.774 10.355 11.206 1.00 0.00 C ATOM 414 CG GLU A 26 -12.929 11.826 10.858 1.00 0.00 C ATOM 415 CD GLU A 26 -14.074 12.483 11.603 1.00 0.00 C ATOM 416 OE1 GLU A 26 -14.256 12.178 12.801 1.00 0.00 O ATOM 417 OE2 GLU A 26 -14.789 13.302 10.989 1.00 0.00 O ATOM 0 H GLU A 26 -10.532 9.630 12.361 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.917 8.925 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.678 9.823 10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.685 10.253 12.288 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.002 12.350 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.093 11.927 9.785 1.00 0.00 H new ATOM 424 N SER A 27 -9.452 10.693 9.898 1.00 0.00 N ATOM 425 CA SER A 27 -8.577 11.629 9.204 1.00 0.00 C ATOM 426 C SER A 27 -8.575 11.377 7.700 1.00 0.00 C ATOM 427 O SER A 27 -8.498 10.235 7.251 1.00 0.00 O ATOM 428 CB SER A 27 -7.152 11.526 9.751 1.00 0.00 C ATOM 429 OG SER A 27 -6.932 12.469 10.784 1.00 0.00 O ATOM 0 H SER A 27 -8.964 10.025 10.496 1.00 0.00 H new ATOM 0 HA SER A 27 -8.959 12.635 9.379 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.977 10.519 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.437 11.692 8.945 1.00 0.00 H new ATOM 0 HG SER A 27 -6.033 12.850 10.694 1.00 0.00 H new ATOM 435 N HIS A 28 -8.659 12.454 6.926 1.00 0.00 N ATOM 436 CA HIS A 28 -8.663 12.355 5.477 1.00 0.00 C ATOM 437 C HIS A 28 -7.247 12.167 4.943 1.00 0.00 C ATOM 438 O HIS A 28 -6.287 12.690 5.509 1.00 0.00 O ATOM 439 CB HIS A 28 -9.294 13.605 4.861 1.00 0.00 C ATOM 440 CG HIS A 28 -10.676 13.378 4.331 1.00 0.00 C ATOM 441 ND1 HIS A 28 -11.322 12.162 4.408 1.00 0.00 N ATOM 442 CD2 HIS A 28 -11.537 14.221 3.713 1.00 0.00 C ATOM 443 CE1 HIS A 28 -12.520 12.267 3.860 1.00 0.00 C ATOM 444 NE2 HIS A 28 -12.675 13.506 3.431 1.00 0.00 N ATOM 0 H HIS A 28 -8.725 13.407 7.283 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.256 11.484 5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.327 14.394 5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.657 13.962 4.052 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.361 15.262 3.484 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.248 11.474 3.777 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -13.505 13.873 2.966 1.00 0.00 H new ATOM 453 N PHE A 29 -7.121 11.412 3.858 1.00 0.00 N ATOM 454 CA PHE A 29 -5.821 11.151 3.257 1.00 0.00 C ATOM 455 C PHE A 29 -5.241 12.412 2.624 1.00 0.00 C ATOM 456 O PHE A 29 -5.339 13.504 3.185 1.00 0.00 O ATOM 457 CB PHE A 29 -5.925 10.042 2.211 1.00 0.00 C ATOM 458 CG PHE A 29 -4.700 9.178 2.138 1.00 0.00 C ATOM 459 CD1 PHE A 29 -3.530 9.565 2.771 1.00 0.00 C ATOM 460 CD2 PHE A 29 -4.716 7.982 1.440 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.399 8.773 2.710 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.588 7.186 1.375 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.428 7.582 2.011 1.00 0.00 C ATOM 0 H PHE A 29 -7.904 10.970 3.377 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.149 10.827 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.789 9.417 2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.104 10.490 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.501 10.496 3.318 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.621 7.668 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.493 9.085 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.614 6.255 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.545 6.962 1.962 1.00 0.00 H new ATOM 473 N VAL A 30 -4.630 12.251 1.454 1.00 0.00 N ATOM 474 CA VAL A 30 -4.027 13.371 0.743 1.00 0.00 C ATOM 475 C VAL A 30 -4.821 14.650 0.951 1.00 0.00 C ATOM 476 O VAL A 30 -4.260 15.745 0.995 1.00 0.00 O ATOM 477 CB VAL A 30 -3.917 13.088 -0.766 1.00 0.00 C ATOM 478 CG1 VAL A 30 -3.829 11.592 -1.026 1.00 0.00 C ATOM 479 CG2 VAL A 30 -5.097 13.696 -1.511 1.00 0.00 C ATOM 0 H VAL A 30 -4.540 11.353 0.978 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.026 13.499 1.155 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.003 13.552 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.752 11.413 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.949 11.187 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.723 11.102 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.002 13.486 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.025 13.264 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.110 14.775 -1.354 1.00 0.00 H new ATOM 489 N LYS A 31 -6.128 14.500 1.075 1.00 0.00 N ATOM 490 CA LYS A 31 -7.017 15.637 1.276 1.00 0.00 C ATOM 491 C LYS A 31 -6.722 16.333 2.600 1.00 0.00 C ATOM 492 O LYS A 31 -6.573 17.554 2.652 1.00 0.00 O ATOM 493 CB LYS A 31 -8.476 15.184 1.235 1.00 0.00 C ATOM 494 CG LYS A 31 -8.709 13.822 1.868 1.00 0.00 C ATOM 495 CD LYS A 31 -9.002 12.762 0.818 1.00 0.00 C ATOM 496 CE LYS A 31 -8.374 13.115 -0.520 1.00 0.00 C ATOM 497 NZ LYS A 31 -9.363 13.717 -1.457 1.00 0.00 N ATOM 0 H LYS A 31 -6.602 13.597 1.040 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.844 16.349 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.092 15.923 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.810 15.155 0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.830 13.532 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.543 13.883 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.622 11.798 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.080 12.655 0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.552 13.813 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.948 12.218 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.537 13.062 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.255 13.897 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.989 14.614 -1.828 1.00 0.00 H new ATOM 511 N ASP A 32 -6.638 15.549 3.669 1.00 0.00 N ATOM 512 CA ASP A 32 -6.363 16.084 4.991 1.00 0.00 C ATOM 513 C ASP A 32 -4.860 16.199 5.227 1.00 0.00 C ATOM 514 O ASP A 32 -4.415 16.436 6.349 1.00 0.00 O ATOM 515 CB ASP A 32 -6.997 15.201 6.067 1.00 0.00 C ATOM 516 CG ASP A 32 -8.144 15.890 6.778 1.00 0.00 C ATOM 517 OD1 ASP A 32 -8.832 16.713 6.137 1.00 0.00 O ATOM 518 OD2 ASP A 32 -8.356 15.607 7.976 1.00 0.00 O ATOM 0 H ASP A 32 -6.758 14.536 3.642 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.800 17.081 5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.357 14.279 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.237 14.920 6.796 1.00 0.00 H new ATOM 523 N LEU A 33 -4.088 16.018 4.159 1.00 0.00 N ATOM 524 CA LEU A 33 -2.634 16.092 4.234 1.00 0.00 C ATOM 525 C LEU A 33 -2.020 14.704 4.098 1.00 0.00 C ATOM 526 O LEU A 33 -1.076 14.357 4.808 1.00 0.00 O ATOM 527 CB LEU A 33 -2.188 16.736 5.544 1.00 0.00 C ATOM 528 CG LEU A 33 -0.865 17.500 5.473 1.00 0.00 C ATOM 529 CD1 LEU A 33 0.283 16.553 5.161 1.00 0.00 C ATOM 530 CD2 LEU A 33 -0.946 18.605 4.431 1.00 0.00 C ATOM 0 H LEU A 33 -4.449 15.818 3.226 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.286 16.713 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.968 17.420 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.100 15.958 6.302 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.677 17.956 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.216 17.115 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.354 15.797 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.104 16.068 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.003 19.139 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.157 18.169 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.743 19.299 4.698 1.00 0.00 H new ATOM 542 N GLY A 34 -2.567 13.915 3.181 1.00 0.00 N ATOM 543 CA GLY A 34 -2.070 12.569 2.964 1.00 0.00 C ATOM 544 C GLY A 34 -0.990 12.509 1.902 1.00 0.00 C ATOM 545 O GLY A 34 -0.511 13.542 1.434 1.00 0.00 O ATOM 0 H GLY A 34 -3.348 14.184 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.675 12.176 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.898 11.923 2.672 1.00 0.00 H new ATOM 549 N LEU A 35 -0.607 11.295 1.526 1.00 0.00 N ATOM 550 CA LEU A 35 0.425 11.094 0.517 1.00 0.00 C ATOM 551 C LEU A 35 -0.076 11.488 -0.870 1.00 0.00 C ATOM 552 O LEU A 35 -1.257 11.339 -1.183 1.00 0.00 O ATOM 553 CB LEU A 35 0.889 9.634 0.516 1.00 0.00 C ATOM 554 CG LEU A 35 -0.022 8.648 -0.220 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.001 7.292 0.465 1.00 0.00 C ATOM 556 CD2 LEU A 35 -1.446 9.179 -0.296 1.00 0.00 C ATOM 0 H LEU A 35 -0.997 10.433 1.906 1.00 0.00 H new ATOM 0 HA LEU A 35 1.270 11.736 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.881 9.588 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.991 9.304 1.550 1.00 0.00 H new ATOM 0 HG LEU A 35 0.353 8.532 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.652 6.603 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.019 6.902 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.348 7.397 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.074 8.461 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.833 9.328 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.452 10.128 -0.831 1.00 0.00 H new ATOM 568 N ASN A 36 0.833 11.996 -1.697 1.00 0.00 N ATOM 569 CA ASN A 36 0.488 12.413 -3.047 1.00 0.00 C ATOM 570 C ASN A 36 0.359 11.202 -3.969 1.00 0.00 C ATOM 571 O ASN A 36 0.358 10.061 -3.509 1.00 0.00 O ATOM 572 CB ASN A 36 1.547 13.380 -3.587 1.00 0.00 C ATOM 573 CG ASN A 36 1.001 14.362 -4.612 1.00 0.00 C ATOM 574 OD1 ASN A 36 1.709 15.272 -5.045 1.00 0.00 O ATOM 575 ND2 ASN A 36 -0.256 14.191 -5.010 1.00 0.00 N ATOM 0 H ASN A 36 1.815 12.128 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.474 12.924 -3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.978 13.937 -2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.356 12.806 -4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.664 14.825 -5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.812 13.425 -4.629 1.00 0.00 H new ATOM 582 N SER A 37 0.254 11.456 -5.270 1.00 0.00 N ATOM 583 CA SER A 37 0.131 10.386 -6.253 1.00 0.00 C ATOM 584 C SER A 37 1.386 9.527 -6.286 1.00 0.00 C ATOM 585 O SER A 37 1.342 8.321 -6.044 1.00 0.00 O ATOM 586 CB SER A 37 -0.141 10.967 -7.641 1.00 0.00 C ATOM 587 OG SER A 37 -0.436 12.352 -7.564 1.00 0.00 O ATOM 0 H SER A 37 0.252 12.395 -5.668 1.00 0.00 H new ATOM 0 HA SER A 37 -0.709 9.756 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.728 10.812 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.975 10.439 -8.103 1.00 0.00 H new ATOM 592 N LEU A 38 2.501 10.166 -6.600 1.00 0.00 N ATOM 593 CA LEU A 38 3.787 9.483 -6.683 1.00 0.00 C ATOM 594 C LEU A 38 4.081 8.698 -5.411 1.00 0.00 C ATOM 595 O LEU A 38 4.625 7.594 -5.460 1.00 0.00 O ATOM 596 CB LEU A 38 4.903 10.495 -6.959 1.00 0.00 C ATOM 597 CG LEU A 38 5.495 11.174 -5.722 1.00 0.00 C ATOM 598 CD1 LEU A 38 4.426 11.959 -4.978 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.147 10.148 -4.806 1.00 0.00 C ATOM 0 H LEU A 38 2.544 11.165 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 38 3.741 8.772 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.706 9.988 -7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.515 11.266 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 38 6.264 11.873 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.867 12.434 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.012 12.723 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.631 11.283 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.562 10.651 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.401 9.420 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.946 9.636 -5.343 1.00 0.00 H new ATOM 611 N ASP A 39 3.715 9.272 -4.276 1.00 0.00 N ATOM 612 CA ASP A 39 3.937 8.626 -2.988 1.00 0.00 C ATOM 613 C ASP A 39 2.998 7.443 -2.812 1.00 0.00 C ATOM 614 O ASP A 39 3.434 6.297 -2.717 1.00 0.00 O ATOM 615 CB ASP A 39 3.744 9.622 -1.843 1.00 0.00 C ATOM 616 CG ASP A 39 3.322 10.991 -2.330 1.00 0.00 C ATOM 617 OD1 ASP A 39 2.660 11.066 -3.387 1.00 0.00 O ATOM 618 OD2 ASP A 39 3.652 11.990 -1.658 1.00 0.00 O ATOM 0 H ASP A 39 3.263 10.184 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 39 4.965 8.263 -2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.992 9.237 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.674 9.710 -1.282 1.00 0.00 H new ATOM 623 N VAL A 40 1.708 7.733 -2.778 1.00 0.00 N ATOM 624 CA VAL A 40 0.698 6.695 -2.621 1.00 0.00 C ATOM 625 C VAL A 40 1.025 5.489 -3.493 1.00 0.00 C ATOM 626 O VAL A 40 0.718 4.350 -3.140 1.00 0.00 O ATOM 627 CB VAL A 40 -0.709 7.209 -2.978 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.982 7.036 -4.465 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.763 6.494 -2.147 1.00 0.00 C ATOM 0 H VAL A 40 1.333 8.678 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 40 0.705 6.402 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.757 8.273 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.981 7.405 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.245 7.599 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.916 5.980 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.751 6.869 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.717 5.423 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.577 6.677 -1.089 1.00 0.00 H new ATOM 639 N VAL A 41 1.657 5.749 -4.635 1.00 0.00 N ATOM 640 CA VAL A 41 2.034 4.689 -5.557 1.00 0.00 C ATOM 641 C VAL A 41 3.109 3.798 -4.951 1.00 0.00 C ATOM 642 O VAL A 41 2.976 2.574 -4.928 1.00 0.00 O ATOM 643 CB VAL A 41 2.548 5.259 -6.892 1.00 0.00 C ATOM 644 CG1 VAL A 41 2.851 4.136 -7.872 1.00 0.00 C ATOM 645 CG2 VAL A 41 1.537 6.233 -7.480 1.00 0.00 C ATOM 0 H VAL A 41 1.918 6.686 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 41 1.137 4.099 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 41 3.474 5.802 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.213 4.559 -8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.614 3.481 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.944 3.562 -8.059 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.917 6.626 -8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.594 5.716 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.376 7.055 -6.783 1.00 0.00 H new ATOM 655 N GLU A 42 4.176 4.420 -4.455 1.00 0.00 N ATOM 656 CA GLU A 42 5.271 3.678 -3.843 1.00 0.00 C ATOM 657 C GLU A 42 4.768 2.849 -2.671 1.00 0.00 C ATOM 658 O GLU A 42 5.116 1.677 -2.525 1.00 0.00 O ATOM 659 CB GLU A 42 6.369 4.636 -3.377 1.00 0.00 C ATOM 660 CG GLU A 42 7.281 5.099 -4.499 1.00 0.00 C ATOM 661 CD GLU A 42 8.687 5.405 -4.020 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.015 5.040 -2.872 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.458 6.009 -4.794 1.00 0.00 O ATOM 0 H GLU A 42 4.304 5.432 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 42 5.687 3.004 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.908 5.507 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.969 4.145 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.323 4.329 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.857 5.990 -4.962 1.00 0.00 H new ATOM 670 N VAL A 43 3.938 3.468 -1.846 1.00 0.00 N ATOM 671 CA VAL A 43 3.367 2.798 -0.686 1.00 0.00 C ATOM 672 C VAL A 43 2.511 1.619 -1.114 1.00 0.00 C ATOM 673 O VAL A 43 2.680 0.499 -0.631 1.00 0.00 O ATOM 674 CB VAL A 43 2.500 3.752 0.154 1.00 0.00 C ATOM 675 CG1 VAL A 43 1.832 4.794 -0.730 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.462 2.972 0.929 1.00 0.00 C ATOM 0 H VAL A 43 3.643 4.438 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 43 4.204 2.452 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 43 3.147 4.271 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.224 5.457 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.595 5.376 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.197 4.296 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.856 3.659 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.822 2.428 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.959 2.265 1.593 1.00 0.00 H new ATOM 686 N VAL A 44 1.594 1.886 -2.029 1.00 0.00 N ATOM 687 CA VAL A 44 0.704 0.857 -2.539 1.00 0.00 C ATOM 688 C VAL A 44 1.509 -0.285 -3.140 1.00 0.00 C ATOM 689 O VAL A 44 1.062 -1.432 -3.165 1.00 0.00 O ATOM 690 CB VAL A 44 -0.259 1.419 -3.600 1.00 0.00 C ATOM 691 CG1 VAL A 44 -1.166 2.475 -2.992 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.515 1.985 -4.780 1.00 0.00 C ATOM 0 H VAL A 44 1.446 2.810 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 44 0.114 0.488 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.884 0.603 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.840 2.861 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.749 2.032 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.561 3.291 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.184 2.377 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.168 2.787 -4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.117 1.197 -5.232 1.00 0.00 H new ATOM 702 N PHE A 45 2.710 0.037 -3.611 1.00 0.00 N ATOM 703 CA PHE A 45 3.591 -0.959 -4.196 1.00 0.00 C ATOM 704 C PHE A 45 4.279 -1.760 -3.099 1.00 0.00 C ATOM 705 O PHE A 45 4.731 -2.883 -3.321 1.00 0.00 O ATOM 706 CB PHE A 45 4.634 -0.290 -5.093 1.00 0.00 C ATOM 707 CG PHE A 45 4.076 0.208 -6.396 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.980 -0.410 -6.976 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.647 1.295 -7.038 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.464 0.048 -8.174 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.136 1.756 -8.236 1.00 0.00 C ATOM 712 CZ PHE A 45 3.042 1.132 -8.805 1.00 0.00 C ATOM 0 H PHE A 45 3.093 0.982 -3.597 1.00 0.00 H new ATOM 0 HA PHE A 45 2.993 -1.636 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.081 0.546 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.434 -1.001 -5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.524 -1.258 -6.487 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.501 1.787 -6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.609 -0.442 -8.616 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.591 2.603 -8.727 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.640 1.491 -9.741 1.00 0.00 H new ATOM 722 N ALA A 46 4.347 -1.170 -1.908 1.00 0.00 N ATOM 723 CA ALA A 46 4.970 -1.822 -0.767 1.00 0.00 C ATOM 724 C ALA A 46 4.155 -3.025 -0.324 1.00 0.00 C ATOM 725 O ALA A 46 4.670 -4.137 -0.205 1.00 0.00 O ATOM 726 CB ALA A 46 5.134 -0.837 0.381 1.00 0.00 C ATOM 0 H ALA A 46 3.977 -0.240 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 46 5.957 -2.172 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.602 -1.340 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.762 -0.006 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.156 -0.459 0.679 1.00 0.00 H new ATOM 732 N ILE A 47 2.876 -2.789 -0.087 1.00 0.00 N ATOM 733 CA ILE A 47 1.968 -3.844 0.336 1.00 0.00 C ATOM 734 C ILE A 47 1.797 -4.886 -0.763 1.00 0.00 C ATOM 735 O ILE A 47 1.636 -6.077 -0.490 1.00 0.00 O ATOM 736 CB ILE A 47 0.586 -3.279 0.718 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.347 -1.936 0.029 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.474 -3.131 2.229 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.647 -0.743 0.911 1.00 0.00 C ATOM 0 H ILE A 47 2.440 -1.872 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 47 2.411 -4.313 1.215 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.179 -3.978 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.966 -1.881 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.692 -1.884 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.507 -2.731 2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.602 -4.105 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.247 -2.451 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.455 0.176 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.009 -0.774 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.693 -0.771 1.217 1.00 0.00 H new ATOM 751 N GLU A 48 1.840 -4.433 -2.011 1.00 0.00 N ATOM 752 CA GLU A 48 1.692 -5.327 -3.151 1.00 0.00 C ATOM 753 C GLU A 48 2.716 -6.450 -3.084 1.00 0.00 C ATOM 754 O GLU A 48 2.435 -7.588 -3.457 1.00 0.00 O ATOM 755 CB GLU A 48 1.847 -4.553 -4.460 1.00 0.00 C ATOM 756 CG GLU A 48 0.683 -4.741 -5.420 1.00 0.00 C ATOM 757 CD GLU A 48 1.114 -4.708 -6.874 1.00 0.00 C ATOM 758 OE1 GLU A 48 1.701 -3.689 -7.296 1.00 0.00 O ATOM 759 OE2 GLU A 48 0.866 -5.700 -7.589 1.00 0.00 O ATOM 0 H GLU A 48 1.976 -3.453 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 48 0.693 -5.762 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.953 -3.492 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.767 -4.868 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.195 -5.693 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.056 -3.959 -5.246 1.00 0.00 H new ATOM 766 N GLN A 49 3.902 -6.118 -2.598 1.00 0.00 N ATOM 767 CA GLN A 49 4.973 -7.092 -2.471 1.00 0.00 C ATOM 768 C GLN A 49 4.780 -7.950 -1.224 1.00 0.00 C ATOM 769 O GLN A 49 5.161 -9.120 -1.201 1.00 0.00 O ATOM 770 CB GLN A 49 6.333 -6.390 -2.418 1.00 0.00 C ATOM 771 CG GLN A 49 6.352 -5.166 -1.519 1.00 0.00 C ATOM 772 CD GLN A 49 7.712 -4.496 -1.476 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.494 -4.712 -0.551 1.00 0.00 O ATOM 774 NE2 GLN A 49 8.000 -3.678 -2.482 1.00 0.00 N ATOM 0 H GLN A 49 4.147 -5.179 -2.285 1.00 0.00 H new ATOM 0 HA GLN A 49 4.945 -7.741 -3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.084 -7.098 -2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.619 -6.093 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.609 -4.450 -1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.062 -5.457 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.321 -3.529 -3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.900 -3.199 -2.508 1.00 0.00 H new ATOM 783 N GLU A 50 4.188 -7.363 -0.187 1.00 0.00 N ATOM 784 CA GLU A 50 3.950 -8.076 1.055 1.00 0.00 C ATOM 785 C GLU A 50 2.474 -8.425 1.228 1.00 0.00 C ATOM 786 O GLU A 50 1.953 -8.421 2.343 1.00 0.00 O ATOM 787 CB GLU A 50 4.433 -7.244 2.245 1.00 0.00 C ATOM 788 CG GLU A 50 3.382 -6.288 2.784 1.00 0.00 C ATOM 789 CD GLU A 50 3.234 -6.373 4.291 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.217 -6.075 5.001 1.00 0.00 O ATOM 791 OE2 GLU A 50 2.135 -6.737 4.759 1.00 0.00 O ATOM 0 H GLU A 50 3.866 -6.395 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 50 4.513 -9.008 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.746 -7.916 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.312 -6.673 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.647 -5.268 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.423 -6.507 2.315 1.00 0.00 H new ATOM 798 N PHE A 51 1.806 -8.731 0.121 1.00 0.00 N ATOM 799 CA PHE A 51 0.391 -9.086 0.156 1.00 0.00 C ATOM 800 C PHE A 51 -0.040 -9.920 -1.057 1.00 0.00 C ATOM 801 O PHE A 51 -1.063 -10.602 -1.006 1.00 0.00 O ATOM 802 CB PHE A 51 -0.474 -7.830 0.259 1.00 0.00 C ATOM 803 CG PHE A 51 -0.772 -7.425 1.673 1.00 0.00 C ATOM 804 CD1 PHE A 51 -1.213 -8.360 2.596 1.00 0.00 C ATOM 805 CD2 PHE A 51 -0.609 -6.111 2.082 1.00 0.00 C ATOM 806 CE1 PHE A 51 -1.487 -7.992 3.900 1.00 0.00 C ATOM 807 CE2 PHE A 51 -0.881 -5.737 3.385 1.00 0.00 C ATOM 808 CZ PHE A 51 -1.321 -6.679 4.294 1.00 0.00 C ATOM 0 H PHE A 51 2.221 -8.741 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 51 0.245 -9.704 1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.031 -7.008 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.413 -8.000 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.344 -9.388 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.266 -5.371 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.830 -8.730 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.750 -4.710 3.691 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.535 -6.389 5.312 1.00 0.00 H new ATOM 818 N ILE A 52 0.727 -9.868 -2.147 1.00 0.00 N ATOM 819 CA ILE A 52 0.393 -10.624 -3.348 1.00 0.00 C ATOM 820 C ILE A 52 -0.907 -10.123 -3.969 1.00 0.00 C ATOM 821 O ILE A 52 -1.713 -10.906 -4.468 1.00 0.00 O ATOM 822 CB ILE A 52 0.255 -12.129 -3.049 1.00 0.00 C ATOM 823 CG1 ILE A 52 0.838 -12.457 -1.677 1.00 0.00 C ATOM 824 CG2 ILE A 52 0.935 -12.951 -4.133 1.00 0.00 C ATOM 825 CD1 ILE A 52 -0.205 -12.882 -0.667 1.00 0.00 C ATOM 0 H ILE A 52 1.579 -9.312 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 52 1.213 -10.475 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.805 -12.385 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.575 -13.253 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.366 -11.583 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.828 -14.012 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.472 -12.737 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.993 -12.694 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.278 -13.100 0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.929 -12.078 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.717 -13.774 -1.026 1.00 0.00 H new ATOM 837 N LEU A 53 -1.096 -8.810 -3.935 1.00 0.00 N ATOM 838 CA LEU A 53 -2.286 -8.189 -4.493 1.00 0.00 C ATOM 839 C LEU A 53 -2.028 -6.720 -4.807 1.00 0.00 C ATOM 840 O LEU A 53 -1.332 -6.030 -4.062 1.00 0.00 O ATOM 841 CB LEU A 53 -3.464 -8.323 -3.526 1.00 0.00 C ATOM 842 CG LEU A 53 -4.796 -7.785 -4.051 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.612 -8.904 -4.680 1.00 0.00 C ATOM 844 CD2 LEU A 53 -5.579 -7.118 -2.930 1.00 0.00 C ATOM 0 H LEU A 53 -0.434 -8.152 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.536 -8.703 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.589 -9.376 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.217 -7.800 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.589 -7.038 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.556 -8.503 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.054 -9.339 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.811 -9.673 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.524 -6.741 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.776 -7.845 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.998 -6.290 -2.523 1.00 0.00 H new ATOM 856 N ASP A 54 -2.584 -6.246 -5.918 1.00 0.00 N ATOM 857 CA ASP A 54 -2.403 -4.864 -6.327 1.00 0.00 C ATOM 858 C ASP A 54 -3.330 -3.934 -5.553 1.00 0.00 C ATOM 859 O ASP A 54 -4.474 -4.280 -5.261 1.00 0.00 O ATOM 860 CB ASP A 54 -2.655 -4.718 -7.830 1.00 0.00 C ATOM 861 CG ASP A 54 -2.745 -3.267 -8.262 1.00 0.00 C ATOM 862 OD1 ASP A 54 -3.849 -2.691 -8.180 1.00 0.00 O ATOM 863 OD2 ASP A 54 -1.710 -2.707 -8.681 1.00 0.00 O ATOM 0 H ASP A 54 -3.163 -6.801 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.374 -4.582 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.852 -5.209 -8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.581 -5.231 -8.092 1.00 0.00 H new ATOM 868 N ILE A 55 -2.823 -2.750 -5.222 1.00 0.00 N ATOM 869 CA ILE A 55 -3.594 -1.767 -4.481 1.00 0.00 C ATOM 870 C ILE A 55 -3.915 -0.540 -5.334 1.00 0.00 C ATOM 871 O ILE A 55 -5.004 0.023 -5.239 1.00 0.00 O ATOM 872 CB ILE A 55 -2.851 -1.312 -3.209 1.00 0.00 C ATOM 873 CG1 ILE A 55 -2.794 -2.452 -2.191 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.529 -0.090 -2.608 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.969 -3.402 -2.281 1.00 0.00 C ATOM 0 H ILE A 55 -1.877 -2.451 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.526 -2.256 -4.199 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.831 -1.040 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.871 -3.013 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.754 -2.030 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.993 0.219 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.522 0.724 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.559 -0.336 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.862 -4.185 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.894 -2.854 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.998 -3.852 -3.273 1.00 0.00 H new ATOM 887 N PRO A 56 -2.964 -0.107 -6.180 1.00 0.00 N ATOM 888 CA PRO A 56 -3.152 1.060 -7.047 1.00 0.00 C ATOM 889 C PRO A 56 -4.449 0.991 -7.845 1.00 0.00 C ATOM 890 O PRO A 56 -5.442 0.425 -7.386 1.00 0.00 O ATOM 891 CB PRO A 56 -1.944 1.003 -7.984 1.00 0.00 C ATOM 892 CG PRO A 56 -0.900 0.280 -7.207 1.00 0.00 C ATOM 893 CD PRO A 56 -1.636 -0.719 -6.357 1.00 0.00 C ATOM 0 HA PRO A 56 -3.223 1.985 -6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.184 0.479 -8.909 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.610 2.003 -8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.193 -0.218 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.325 0.970 -6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.704 -1.690 -6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.137 -0.878 -5.401 1.00 0.00 H new ATOM 901 N ASP A 57 -4.436 1.574 -9.038 1.00 0.00 N ATOM 902 CA ASP A 57 -5.613 1.581 -9.898 1.00 0.00 C ATOM 903 C ASP A 57 -6.741 2.386 -9.265 1.00 0.00 C ATOM 904 O ASP A 57 -6.528 3.117 -8.298 1.00 0.00 O ATOM 905 CB ASP A 57 -6.081 0.149 -10.169 1.00 0.00 C ATOM 906 CG ASP A 57 -4.928 -0.792 -10.459 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.839 -0.302 -10.822 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.116 -2.019 -10.322 1.00 0.00 O ATOM 0 H ASP A 57 -3.623 2.048 -9.432 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.341 2.051 -10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.637 -0.218 -9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.768 0.148 -11.015 1.00 0.00 H new ATOM 913 N HIS A 58 -7.943 2.246 -9.814 1.00 0.00 N ATOM 914 CA HIS A 58 -9.104 2.963 -9.300 1.00 0.00 C ATOM 915 C HIS A 58 -9.366 2.598 -7.842 1.00 0.00 C ATOM 916 O HIS A 58 -10.123 3.277 -7.149 1.00 0.00 O ATOM 917 CB HIS A 58 -10.338 2.649 -10.146 1.00 0.00 C ATOM 918 CG HIS A 58 -10.403 3.427 -11.423 1.00 0.00 C ATOM 919 ND1 HIS A 58 -11.569 3.608 -12.136 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.437 4.077 -12.115 1.00 0.00 C ATOM 921 CE1 HIS A 58 -11.318 4.333 -13.212 1.00 0.00 C ATOM 922 NE2 HIS A 58 -10.031 4.631 -13.222 1.00 0.00 N ATOM 0 H HIS A 58 -8.138 1.644 -10.614 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.896 4.031 -9.357 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.348 1.584 -10.378 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.233 2.855 -9.559 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.393 4.147 -11.846 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.042 4.631 -13.956 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.556 5.183 -13.936 1.00 0.00 H new ATOM 931 N ASP A 59 -8.739 1.520 -7.385 1.00 0.00 N ATOM 932 CA ASP A 59 -8.907 1.064 -6.012 1.00 0.00 C ATOM 933 C ASP A 59 -8.248 2.026 -5.029 1.00 0.00 C ATOM 934 O ASP A 59 -8.831 2.376 -4.003 1.00 0.00 O ATOM 935 CB ASP A 59 -8.317 -0.338 -5.843 1.00 0.00 C ATOM 936 CG ASP A 59 -9.105 -1.392 -6.593 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.831 -1.028 -7.542 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.998 -2.583 -6.232 1.00 0.00 O ATOM 0 H ASP A 59 -8.110 0.946 -7.946 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.975 1.032 -5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.286 -0.340 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.292 -0.593 -4.784 1.00 0.00 H new ATOM 943 N ALA A 60 -7.029 2.450 -5.348 1.00 0.00 N ATOM 944 CA ALA A 60 -6.291 3.367 -4.493 1.00 0.00 C ATOM 945 C ALA A 60 -6.675 4.815 -4.774 1.00 0.00 C ATOM 946 O ALA A 60 -6.584 5.674 -3.898 1.00 0.00 O ATOM 947 CB ALA A 60 -4.794 3.169 -4.672 1.00 0.00 C ATOM 0 H ALA A 60 -6.533 2.171 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.553 3.147 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.255 3.862 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.528 2.145 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.524 3.357 -5.711 1.00 0.00 H new ATOM 953 N GLU A 61 -7.101 5.075 -6.002 1.00 0.00 N ATOM 954 CA GLU A 61 -7.497 6.416 -6.406 1.00 0.00 C ATOM 955 C GLU A 61 -8.898 6.747 -5.900 1.00 0.00 C ATOM 956 O GLU A 61 -9.183 7.885 -5.530 1.00 0.00 O ATOM 957 CB GLU A 61 -7.448 6.549 -7.930 1.00 0.00 C ATOM 958 CG GLU A 61 -6.056 6.828 -8.470 1.00 0.00 C ATOM 959 CD GLU A 61 -6.065 7.819 -9.618 1.00 0.00 C ATOM 960 OE1 GLU A 61 -6.189 7.380 -10.781 1.00 0.00 O ATOM 961 OE2 GLU A 61 -5.947 9.034 -9.354 1.00 0.00 O ATOM 0 H GLU A 61 -7.181 4.373 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.795 7.122 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.826 5.631 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.116 7.353 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.429 7.214 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.606 5.893 -8.805 1.00 0.00 H new ATOM 968 N LYS A 62 -9.769 5.743 -5.890 1.00 0.00 N ATOM 969 CA LYS A 62 -11.139 5.923 -5.433 1.00 0.00 C ATOM 970 C LYS A 62 -11.212 5.917 -3.909 1.00 0.00 C ATOM 971 O LYS A 62 -12.295 5.994 -3.329 1.00 0.00 O ATOM 972 CB LYS A 62 -12.038 4.825 -6.004 1.00 0.00 C ATOM 973 CG LYS A 62 -12.241 4.925 -7.507 1.00 0.00 C ATOM 974 CD LYS A 62 -12.300 6.373 -7.966 1.00 0.00 C ATOM 975 CE LYS A 62 -13.591 7.044 -7.528 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.445 8.524 -7.436 1.00 0.00 N ATOM 0 H LYS A 62 -9.548 4.795 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.489 6.892 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.605 3.853 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.009 4.869 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.427 4.412 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.164 4.416 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.449 6.919 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.217 6.415 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.384 6.801 -8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.895 6.648 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.347 8.944 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.706 8.757 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.180 8.905 -8.367 1.00 0.00 H new ATOM 990 N ILE A 63 -10.052 5.825 -3.268 1.00 0.00 N ATOM 991 CA ILE A 63 -9.981 5.809 -1.816 1.00 0.00 C ATOM 992 C ILE A 63 -9.441 7.131 -1.281 1.00 0.00 C ATOM 993 O ILE A 63 -8.350 7.563 -1.653 1.00 0.00 O ATOM 994 CB ILE A 63 -9.095 4.654 -1.309 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.945 3.619 -0.570 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.991 5.184 -0.405 1.00 0.00 C ATOM 997 CD1 ILE A 63 -9.761 2.208 -1.086 1.00 0.00 C ATOM 0 H ILE A 63 -9.147 5.760 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.996 5.661 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.630 4.171 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.695 3.645 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.996 3.895 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.376 4.354 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.371 5.887 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.434 5.691 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.394 1.527 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.039 2.167 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.718 1.913 -0.974 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.211 7.771 -0.408 1.00 0.00 N ATOM 1010 CA GLN A 64 -9.814 9.039 0.172 1.00 0.00 C ATOM 1011 C GLN A 64 -9.667 8.933 1.687 1.00 0.00 C ATOM 1012 O GLN A 64 -8.738 9.491 2.270 1.00 0.00 O ATOM 1013 CB GLN A 64 -10.829 10.129 -0.182 1.00 0.00 C ATOM 1014 CG GLN A 64 -10.924 10.409 -1.673 1.00 0.00 C ATOM 1015 CD GLN A 64 -12.124 9.744 -2.316 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -13.100 10.405 -2.669 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -12.057 8.426 -2.473 1.00 0.00 N ATOM 0 H GLN A 64 -11.116 7.427 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.843 9.307 -0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.811 9.833 0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.557 11.049 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.981 11.486 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.015 10.061 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.228 7.917 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.835 7.923 -2.901 1.00 0.00 H new ATOM 1026 N SER A 65 -10.590 8.216 2.318 1.00 0.00 N ATOM 1027 CA SER A 65 -10.559 8.041 3.766 1.00 0.00 C ATOM 1028 C SER A 65 -9.545 6.974 4.161 1.00 0.00 C ATOM 1029 O SER A 65 -9.179 6.120 3.353 1.00 0.00 O ATOM 1030 CB SER A 65 -11.947 7.659 4.284 1.00 0.00 C ATOM 1031 OG SER A 65 -12.248 8.344 5.488 1.00 0.00 O ATOM 0 H SER A 65 -11.367 7.748 1.852 1.00 0.00 H new ATOM 0 HA SER A 65 -10.259 8.987 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.698 7.895 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.992 6.583 4.453 1.00 0.00 H new ATOM 0 HG SER A 65 -13.141 8.084 5.798 1.00 0.00 H new ATOM 1037 N ILE A 66 -9.096 7.026 5.411 1.00 0.00 N ATOM 1038 CA ILE A 66 -8.128 6.062 5.913 1.00 0.00 C ATOM 1039 C ILE A 66 -8.730 4.662 5.969 1.00 0.00 C ATOM 1040 O ILE A 66 -8.074 3.678 5.625 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.619 6.441 7.316 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.793 7.936 7.567 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -6.162 6.036 7.480 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -8.979 8.263 8.449 1.00 0.00 C ATOM 0 H ILE A 66 -9.388 7.726 6.093 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.288 6.073 5.219 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.212 5.901 8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.887 8.327 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.909 8.446 6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.818 6.311 8.477 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.067 4.958 7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.556 6.548 6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.044 9.342 8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.893 7.902 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.855 7.781 9.419 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.995 4.556 6.410 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.691 3.269 6.514 1.00 0.00 C ATOM 1058 C PRO A 67 -10.774 2.546 5.177 1.00 0.00 C ATOM 1059 O PRO A 67 -10.105 1.541 4.964 1.00 0.00 O ATOM 1060 CB PRO A 67 -12.094 3.644 7.012 1.00 0.00 C ATOM 1061 CG PRO A 67 -12.231 5.104 6.741 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.846 5.676 6.838 1.00 0.00 C ATOM 0 HA PRO A 67 -10.166 2.582 7.178 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.862 3.073 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.204 3.429 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.657 5.279 5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.898 5.574 7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.723 6.546 6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.612 5.996 7.853 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.599 3.060 4.274 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.760 2.450 2.959 1.00 0.00 C ATOM 1072 C ASP A 68 -10.410 2.065 2.362 1.00 0.00 C ATOM 1073 O ASP A 68 -10.325 1.186 1.504 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.489 3.412 2.017 1.00 0.00 C ATOM 1075 CG ASP A 68 -11.607 4.561 1.570 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -10.446 4.631 2.027 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -12.075 5.391 0.762 1.00 0.00 O ATOM 0 H ASP A 68 -12.165 3.895 4.426 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.353 1.543 3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.839 2.864 1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.372 3.809 2.519 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.360 2.740 2.810 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.012 2.491 2.313 1.00 0.00 C ATOM 1084 C ALA A 69 -7.423 1.184 2.840 1.00 0.00 C ATOM 1085 O ALA A 69 -7.566 0.126 2.223 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.102 3.655 2.673 1.00 0.00 C ATOM 0 H ALA A 69 -9.416 3.469 3.521 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.082 2.396 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.097 3.461 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.487 4.570 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.069 3.770 3.756 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.739 1.277 3.973 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.093 0.119 4.585 1.00 0.00 C ATOM 1094 C VAL A 70 -7.108 -0.920 5.048 1.00 0.00 C ATOM 1095 O VAL A 70 -6.755 -2.067 5.321 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.224 0.539 5.785 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.097 1.021 6.934 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.333 -0.610 6.227 1.00 0.00 C ATOM 0 H VAL A 70 -6.616 2.147 4.491 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.463 -0.326 3.815 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.584 1.365 5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.465 1.313 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.687 1.878 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.765 0.218 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.726 -0.294 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.952 -1.459 6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.681 -0.902 5.404 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.364 -0.513 5.141 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.424 -1.405 5.574 1.00 0.00 C ATOM 1110 C GLU A 71 -9.853 -2.340 4.447 1.00 0.00 C ATOM 1111 O GLU A 71 -10.055 -3.534 4.663 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.628 -0.602 6.070 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.269 0.460 7.097 1.00 0.00 C ATOM 1114 CD GLU A 71 -9.906 -0.132 8.445 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -10.067 -1.359 8.618 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -9.462 0.631 9.328 1.00 0.00 O ATOM 0 H GLU A 71 -8.674 0.434 4.921 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.036 -2.010 6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.111 -0.123 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.356 -1.286 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.431 1.050 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.111 1.142 7.218 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.999 -1.790 3.243 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.414 -2.584 2.095 1.00 0.00 C ATOM 1125 C TYR A 72 -9.361 -3.622 1.727 1.00 0.00 C ATOM 1126 O TYR A 72 -9.679 -4.795 1.534 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.731 -1.680 0.900 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.775 -1.832 -0.259 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.563 -1.158 -0.269 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -10.083 -2.647 -1.340 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.683 -1.289 -1.324 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -9.206 -2.785 -2.400 1.00 0.00 C ATOM 1133 CZ TYR A 72 -8.007 -2.104 -2.387 1.00 0.00 C ATOM 1134 OH TYR A 72 -7.132 -2.238 -3.440 1.00 0.00 O ATOM 0 H TYR A 72 -9.837 -0.804 3.041 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.322 -3.120 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.742 -1.895 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.721 -0.642 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.303 -0.520 0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.022 -3.181 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.744 -0.755 -1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.459 -3.423 -3.234 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.512 -2.849 -4.105 1.00 0.00 H new ATOM 1144 N ILE A 73 -8.107 -3.196 1.638 1.00 0.00 N ATOM 1145 CA ILE A 73 -7.027 -4.119 1.302 1.00 0.00 C ATOM 1146 C ILE A 73 -6.790 -5.115 2.430 1.00 0.00 C ATOM 1147 O ILE A 73 -6.352 -6.242 2.197 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.696 -3.403 0.965 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.822 -3.231 2.203 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.945 -2.054 0.321 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.571 -2.744 3.422 1.00 0.00 C ATOM 0 H ILE A 73 -7.814 -2.231 1.791 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.355 -4.644 0.405 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.166 -4.038 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.349 -4.185 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.022 -2.526 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.991 -1.576 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.509 -2.190 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.514 -1.424 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.880 -2.647 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.021 -1.774 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.353 -3.459 3.678 1.00 0.00 H new ATOM 1163 N ALA A 74 -7.086 -4.689 3.653 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.906 -5.538 4.825 1.00 0.00 C ATOM 1165 C ALA A 74 -7.770 -6.786 4.740 1.00 0.00 C ATOM 1166 O ALA A 74 -7.344 -7.879 5.113 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.221 -4.760 6.094 1.00 0.00 C ATOM 0 H ALA A 74 -7.452 -3.759 3.859 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.863 -5.854 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.082 -5.406 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.553 -3.902 6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.254 -4.413 6.061 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.984 -6.615 4.244 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.914 -7.721 4.104 1.00 0.00 C ATOM 1175 C GLN A 75 -9.588 -8.538 2.862 1.00 0.00 C ATOM 1176 O GLN A 75 -9.899 -9.727 2.785 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.353 -7.204 4.031 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.716 -6.253 5.159 1.00 0.00 C ATOM 1179 CD GLN A 75 -10.702 -6.270 6.286 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -10.287 -7.334 6.748 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -10.296 -5.088 6.734 1.00 0.00 N ATOM 0 H GLN A 75 -9.349 -5.716 3.930 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.817 -8.363 4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.500 -6.696 3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.036 -8.053 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.797 -5.241 4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.696 -6.521 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.666 -4.232 6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.614 -5.036 7.490 1.00 0.00 H new ATOM 1190 N ASN A 76 -8.951 -7.891 1.896 1.00 0.00 N ATOM 1191 CA ASN A 76 -8.570 -8.551 0.656 1.00 0.00 C ATOM 1192 C ASN A 76 -7.800 -9.832 0.949 1.00 0.00 C ATOM 1193 O ASN A 76 -8.241 -10.926 0.600 1.00 0.00 O ATOM 1194 CB ASN A 76 -7.726 -7.614 -0.208 1.00 0.00 C ATOM 1195 CG ASN A 76 -8.531 -6.972 -1.319 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -8.698 -7.547 -2.396 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -9.036 -5.775 -1.060 1.00 0.00 N ATOM 0 H ASN A 76 -8.687 -6.907 1.948 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.478 -8.808 0.110 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.294 -6.835 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.896 -8.172 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.589 -5.291 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.872 -5.337 -0.153 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.632 -9.714 1.598 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.800 -10.863 1.943 1.00 0.00 C ATOM 1206 C PRO A 77 -6.235 -11.522 3.248 1.00 0.00 C ATOM 1207 O PRO A 77 -5.867 -12.662 3.532 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.418 -10.238 2.094 1.00 0.00 C ATOM 1209 CG PRO A 77 -4.685 -8.861 2.601 1.00 0.00 C ATOM 1210 CD PRO A 77 -6.030 -8.450 2.048 1.00 0.00 C ATOM 0 HA PRO A 77 -5.854 -11.657 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.800 -10.805 2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.887 -10.215 1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.693 -8.844 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.906 -8.171 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.642 -7.965 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.924 -7.743 1.225 1.00 0.00 H new ATOM 1218 N MET A 78 -7.014 -10.794 4.043 1.00 0.00 N ATOM 1219 CA MET A 78 -7.492 -11.303 5.323 1.00 0.00 C ATOM 1220 C MET A 78 -8.507 -12.426 5.133 1.00 0.00 C ATOM 1221 O MET A 78 -8.760 -13.205 6.052 1.00 0.00 O ATOM 1222 CB MET A 78 -8.116 -10.172 6.143 1.00 0.00 C ATOM 1223 CG MET A 78 -7.141 -9.508 7.103 1.00 0.00 C ATOM 1224 SD MET A 78 -6.764 -10.539 8.532 1.00 0.00 S ATOM 1225 CE MET A 78 -8.063 -10.040 9.661 1.00 0.00 C ATOM 0 H MET A 78 -7.327 -9.849 3.822 1.00 0.00 H new ATOM 0 HA MET A 78 -6.634 -11.708 5.860 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.514 -9.418 5.463 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.959 -10.567 6.710 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.217 -9.276 6.573 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.560 -8.561 7.443 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.627 -9.498 10.500 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.770 -9.394 9.140 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.583 -10.924 10.031 1.00 0.00 H new ATOM 1235 N ALA A 79 -9.089 -12.506 3.941 1.00 0.00 N ATOM 1236 CA ALA A 79 -10.073 -13.537 3.646 1.00 0.00 C ATOM 1237 C ALA A 79 -10.340 -13.642 2.149 1.00 0.00 C ATOM 1238 O ALA A 79 -11.443 -13.994 1.729 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.366 -13.263 4.398 1.00 0.00 C ATOM 0 H ALA A 79 -8.896 -11.871 3.167 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.666 -14.492 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.093 -14.042 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.169 -13.256 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.764 -12.294 4.096 1.00 0.00 H new ATOM 1245 N LYS A 80 -9.326 -13.335 1.349 1.00 0.00 N ATOM 1246 CA LYS A 80 -9.453 -13.396 -0.103 1.00 0.00 C ATOM 1247 C LYS A 80 -10.646 -14.253 -0.511 1.00 0.00 C ATOM 1248 O LYS A 80 -11.655 -13.680 -0.972 1.00 0.00 O ATOM 1249 CB LYS A 80 -8.171 -13.956 -0.724 1.00 0.00 C ATOM 1250 CG LYS A 80 -6.902 -13.456 -0.054 1.00 0.00 C ATOM 1251 CD LYS A 80 -6.409 -14.428 1.005 1.00 0.00 C ATOM 1252 CE LYS A 80 -5.881 -15.709 0.383 1.00 0.00 C ATOM 1253 NZ LYS A 80 -5.533 -16.727 1.414 1.00 0.00 N ATOM 1254 OXT LYS A 80 -10.561 -15.491 -0.368 1.00 0.00 O ATOM 0 H LYS A 80 -8.407 -13.041 1.680 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.615 -12.383 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.196 -15.044 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.143 -13.690 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.126 -13.311 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.089 -12.484 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.622 -13.957 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.223 -14.664 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.631 -16.120 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.999 -15.484 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.177 -17.586 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.799 -16.346 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.380 -16.961 1.970 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 -0.381 12.994 -9.040 1.00 0.00 P HETATM 1270 O25 PNS A 101 0.341 11.966 -10.047 1.00 0.00 O HETATM 1271 O26 PNS A 101 -1.879 13.286 -9.555 1.00 0.00 O HETATM 1272 O27 PNS A 101 0.449 14.373 -8.996 1.00 0.00 O HETATM 1273 C28 PNS A 101 1.181 14.529 -10.213 1.00 0.00 C HETATM 1274 C29 PNS A 101 2.659 14.311 -9.954 1.00 0.00 C HETATM 1275 C30 PNS A 101 3.114 15.222 -8.843 1.00 0.00 C HETATM 1276 C31 PNS A 101 2.893 12.877 -9.555 1.00 0.00 C HETATM 1277 C32 PNS A 101 3.447 14.621 -11.219 1.00 0.00 C HETATM 1278 O33 PNS A 101 3.484 16.004 -11.561 1.00 0.00 O HETATM 1279 C34 PNS A 101 4.579 13.722 -11.628 1.00 0.00 C HETATM 1280 O35 PNS A 101 4.776 13.453 -12.813 1.00 0.00 O HETATM 1281 N36 PNS A 101 5.556 13.803 -10.731 1.00 0.00 N HETATM 1282 C37 PNS A 101 5.957 15.048 -10.083 1.00 0.00 C HETATM 1283 C38 PNS A 101 6.763 15.940 -11.013 1.00 0.00 C HETATM 1284 C39 PNS A 101 7.737 15.158 -11.873 1.00 0.00 C HETATM 1285 O40 PNS A 101 8.952 15.280 -11.724 1.00 0.00 O HETATM 1286 N41 PNS A 101 7.175 14.891 -13.048 1.00 0.00 N HETATM 1287 C42 PNS A 101 7.096 15.853 -14.143 1.00 0.00 C HETATM 1288 C43 PNS A 101 7.421 17.265 -13.686 1.00 0.00 C HETATM 1289 S44 PNS A 101 9.104 17.731 -14.157 1.00 0.00 S HETATM 0 H432 PNS A 101 6.710 17.965 -14.125 1.00 0.00 H new HETATM 0 H431 PNS A 101 7.310 17.335 -12.604 1.00 0.00 H new HETATM 0 H422 PNS A 101 6.094 15.832 -14.572 1.00 0.00 H new HETATM 0 H421 PNS A 101 7.787 15.560 -14.933 1.00 0.00 H new HETATM 0 H382 PNS A 101 7.313 16.672 -10.422 1.00 0.00 H new HETATM 0 H381 PNS A 101 6.082 16.497 -11.657 1.00 0.00 H new HETATM 0 H372 PNS A 101 6.548 14.821 -9.196 1.00 0.00 H new HETATM 0 H371 PNS A 101 5.069 15.584 -9.746 1.00 0.00 H new HETATM 0 H313 PNS A 101 3.955 12.720 -9.369 1.00 0.00 H new HETATM 0 H312 PNS A 101 2.564 12.218 -10.358 1.00 0.00 H new HETATM 0 H311 PNS A 101 2.329 12.655 -8.649 1.00 0.00 H new HETATM 0 H303 PNS A 101 4.176 15.066 -8.656 1.00 0.00 H new HETATM 0 H302 PNS A 101 2.550 15.001 -7.937 1.00 0.00 H new HETATM 0 H301 PNS A 101 2.945 16.260 -9.131 1.00 0.00 H new HETATM 0 H282 PNS A 101 1.017 15.526 -10.622 1.00 0.00 H new HETATM 0 H281 PNS A 101 0.824 13.817 -10.957 1.00 0.00 H new HETATM 0 H44 PNS A 101 9.348 18.942 -13.753 1.00 0.00 H new HETATM 0 H41 PNS A 101 6.777 13.963 -13.192 1.00 0.00 H new HETATM 0 H36 PNS A 101 6.053 12.948 -10.481 1.00 0.00 H new HETATM 0 H33 PNS A 101 4.042 16.129 -12.357 1.00 0.00 H new HETATM 0 H32 PNS A 101 2.806 14.209 -11.999 1.00 0.00 H new