USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 23 THR OG1 : rot -45:sc= 1.14 USER MOD Set 1.2: A 26 THR OG1 : rot -160:sc= 1.29 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 8 THR OG1 : rot 60:sc= 1.08 USER MOD Single : A 13 GLN : amide:sc= 0.0175 X(o=0.018,f=-0.033) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= 0.262! C(o=0.26!,f=-5.9!) USER MOD Single : A 40 MET CE :methyl -176:sc= 0 (180deg=-0.0312) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 45 SER OG : rot 81:sc= 1 USER MOD Single : A 49 HIS : no HD1:sc= -0.0953 X(o=-0.095,f=0) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.304 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0149 (180deg=-0.144) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.066 X(o=-0.066,f=-0.066) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0275) USER MOD Single : A 64 ASN : amide:sc= -1.65! C(o=-1.7!,f=-3.4!) USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0832) USER MOD Single : A 75 LYS NZ :NH3+ -108:sc= 1.16 (180deg=0.238) USER MOD Single : A 79 LYS NZ :NH3+ 151:sc= -0.344 (180deg=-1.24) USER MOD Single : A 82 HIS : no HE2:sc= -0.47 X(o=-0.47,f=-0.37) USER MOD Single : A 83 HIS : no HE2:sc= -0.268 X(o=-0.27,f=-0.73) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0615 X(o=-0.062,f=-0.0029) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 PNS O33 : rot -41:sc= 0.446 USER MOD Single : A 88 PNS S44 : rot -22:sc= -2.13! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.797 1.913 7.519 1.00 0.00 N ATOM 2 CA MET A 1 -11.411 2.103 7.059 1.00 0.00 C ATOM 3 C MET A 1 -11.133 3.607 6.852 1.00 0.00 C ATOM 4 O MET A 1 -11.850 4.279 6.103 1.00 0.00 O ATOM 5 CB MET A 1 -11.138 1.269 5.770 1.00 0.00 C ATOM 6 CG MET A 1 -12.068 1.551 4.583 1.00 0.00 C ATOM 7 SD MET A 1 -11.661 0.555 3.127 1.00 0.00 S ATOM 8 CE MET A 1 -13.005 0.968 2.012 1.00 0.00 C ATOM 0 H1 MET A 1 -12.981 0.899 7.657 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.936 2.416 8.419 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.454 2.290 6.806 1.00 0.00 H new ATOM 0 HA MET A 1 -10.722 1.738 7.821 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.111 1.450 5.454 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.212 0.211 6.022 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.098 1.352 4.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.009 2.608 4.323 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.881 0.425 1.075 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.955 0.691 2.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.997 2.040 1.814 1.00 0.00 H new ATOM 20 N PRO A 2 -10.087 4.179 7.531 1.00 0.00 N ATOM 21 CA PRO A 2 -9.744 5.609 7.434 1.00 0.00 C ATOM 22 C PRO A 2 -8.680 5.850 6.348 1.00 0.00 C ATOM 23 O PRO A 2 -7.744 6.613 6.553 1.00 0.00 O ATOM 24 CB PRO A 2 -9.200 5.871 8.855 1.00 0.00 C ATOM 25 CG PRO A 2 -8.440 4.615 9.196 1.00 0.00 C ATOM 26 CD PRO A 2 -9.132 3.479 8.441 1.00 0.00 C ATOM 0 HA PRO A 2 -10.568 6.263 7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.552 6.747 8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.008 6.053 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.395 4.700 8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.452 4.432 10.271 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.416 2.877 7.881 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.651 2.805 9.122 1.00 0.00 H new ATOM 34 N THR A 3 -8.862 5.207 5.187 1.00 0.00 N ATOM 35 CA THR A 3 -7.835 5.144 4.136 1.00 0.00 C ATOM 36 C THR A 3 -7.515 6.548 3.553 1.00 0.00 C ATOM 37 O THR A 3 -6.534 7.161 3.974 1.00 0.00 O ATOM 38 CB THR A 3 -8.258 4.141 3.022 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.485 4.562 2.420 1.00 0.00 O ATOM 40 CG2 THR A 3 -8.427 2.713 3.565 1.00 0.00 C ATOM 0 H THR A 3 -9.724 4.716 4.949 1.00 0.00 H new ATOM 0 HA THR A 3 -6.914 4.779 4.590 1.00 0.00 H new ATOM 0 HB THR A 3 -7.460 4.130 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.741 3.926 1.720 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.722 2.048 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.483 2.371 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.196 2.706 4.338 1.00 0.00 H new ATOM 48 N LEU A 4 -8.397 7.089 2.675 1.00 0.00 N ATOM 49 CA LEU A 4 -8.233 8.445 2.100 1.00 0.00 C ATOM 50 C LEU A 4 -8.291 9.491 3.228 1.00 0.00 C ATOM 51 O LEU A 4 -7.564 10.477 3.205 1.00 0.00 O ATOM 52 CB LEU A 4 -9.346 8.756 1.052 1.00 0.00 C ATOM 53 CG LEU A 4 -9.382 7.868 -0.234 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.552 8.269 -1.163 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.034 7.902 -0.987 1.00 0.00 C ATOM 0 H LEU A 4 -9.232 6.603 2.350 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.267 8.486 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.312 8.670 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.238 9.795 0.742 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.551 6.840 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.549 7.632 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.496 8.147 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.437 9.310 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.097 7.273 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.808 8.926 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.244 7.530 -0.335 1.00 0.00 H new ATOM 67 N ASP A 5 -9.158 9.198 4.217 1.00 0.00 N ATOM 68 CA ASP A 5 -9.468 10.072 5.371 1.00 0.00 C ATOM 69 C ASP A 5 -8.214 10.497 6.154 1.00 0.00 C ATOM 70 O ASP A 5 -8.007 11.683 6.411 1.00 0.00 O ATOM 71 CB ASP A 5 -10.464 9.354 6.319 1.00 0.00 C ATOM 72 CG ASP A 5 -11.754 8.923 5.603 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.766 7.825 4.993 1.00 0.00 O ATOM 74 OD2 ASP A 5 -12.750 9.683 5.623 1.00 0.00 O ATOM 0 H ASP A 5 -9.679 8.321 4.238 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.916 10.982 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.982 8.477 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.716 10.018 7.146 1.00 0.00 H new ATOM 79 N ALA A 6 -7.377 9.509 6.505 1.00 0.00 N ATOM 80 CA ALA A 6 -6.144 9.727 7.295 1.00 0.00 C ATOM 81 C ALA A 6 -5.014 10.251 6.399 1.00 0.00 C ATOM 82 O ALA A 6 -4.106 10.939 6.874 1.00 0.00 O ATOM 83 CB ALA A 6 -5.722 8.435 8.013 1.00 0.00 C ATOM 0 H ALA A 6 -7.531 8.533 6.251 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.352 10.481 8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.814 8.618 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.518 8.116 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.534 7.654 7.276 1.00 0.00 H new ATOM 89 N LEU A 7 -5.075 9.919 5.102 1.00 0.00 N ATOM 90 CA LEU A 7 -4.089 10.388 4.119 1.00 0.00 C ATOM 91 C LEU A 7 -4.262 11.895 3.833 1.00 0.00 C ATOM 92 O LEU A 7 -3.269 12.591 3.644 1.00 0.00 O ATOM 93 CB LEU A 7 -4.204 9.572 2.801 1.00 0.00 C ATOM 94 CG LEU A 7 -3.813 8.066 2.888 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.109 7.334 1.559 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.342 7.901 3.319 1.00 0.00 C ATOM 0 H LEU A 7 -5.803 9.323 4.707 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.096 10.235 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.232 9.639 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.575 10.046 2.048 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.431 7.600 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.826 6.285 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.173 7.404 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.537 7.796 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.095 6.841 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.693 8.389 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.197 8.357 4.298 1.00 0.00 H new ATOM 108 N THR A 8 -5.521 12.394 3.841 1.00 0.00 N ATOM 109 CA THR A 8 -5.842 13.790 3.445 1.00 0.00 C ATOM 110 C THR A 8 -5.005 14.857 4.234 1.00 0.00 C ATOM 111 O THR A 8 -4.353 15.681 3.588 1.00 0.00 O ATOM 112 CB THR A 8 -7.388 14.082 3.512 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.099 13.090 2.754 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.739 15.465 2.952 1.00 0.00 C ATOM 0 H THR A 8 -6.337 11.848 4.119 1.00 0.00 H new ATOM 0 HA THR A 8 -5.543 13.885 2.401 1.00 0.00 H new ATOM 0 HB THR A 8 -7.678 14.052 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.922 12.202 3.129 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.816 15.622 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.224 16.233 3.529 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.428 15.525 1.909 1.00 0.00 H new ATOM 122 N PRO A 9 -4.941 14.831 5.619 1.00 0.00 N ATOM 123 CA PRO A 9 -4.064 15.755 6.394 1.00 0.00 C ATOM 124 C PRO A 9 -2.556 15.601 6.048 1.00 0.00 C ATOM 125 O PRO A 9 -1.808 16.585 6.109 1.00 0.00 O ATOM 126 CB PRO A 9 -4.342 15.390 7.884 1.00 0.00 C ATOM 127 CG PRO A 9 -4.953 14.025 7.833 1.00 0.00 C ATOM 128 CD PRO A 9 -5.731 13.972 6.540 1.00 0.00 C ATOM 0 HA PRO A 9 -4.286 16.796 6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.423 15.391 8.470 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.017 16.109 8.349 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.185 13.252 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.606 13.856 8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.814 12.952 6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.746 14.349 6.667 1.00 0.00 H new ATOM 136 N ILE A 10 -2.131 14.375 5.662 1.00 0.00 N ATOM 137 CA ILE A 10 -0.712 14.085 5.335 1.00 0.00 C ATOM 138 C ILE A 10 -0.303 14.808 4.039 1.00 0.00 C ATOM 139 O ILE A 10 0.723 15.478 4.001 1.00 0.00 O ATOM 140 CB ILE A 10 -0.422 12.539 5.179 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.878 11.742 6.445 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.077 12.275 4.854 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.163 12.114 7.732 1.00 0.00 C ATOM 0 H ILE A 10 -2.750 13.570 5.569 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.121 14.450 6.175 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.011 12.179 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.948 11.894 6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.729 10.678 6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.244 11.203 4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.340 12.773 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.698 12.664 5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.549 11.507 8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.906 11.934 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.332 13.168 7.951 1.00 0.00 H new ATOM 155 N PHE A 11 -1.151 14.694 2.999 1.00 0.00 N ATOM 156 CA PHE A 11 -0.901 15.309 1.675 1.00 0.00 C ATOM 157 C PHE A 11 -1.006 16.847 1.780 1.00 0.00 C ATOM 158 O PHE A 11 -0.200 17.578 1.190 1.00 0.00 O ATOM 159 CB PHE A 11 -1.902 14.755 0.615 1.00 0.00 C ATOM 160 CG PHE A 11 -1.694 13.285 0.204 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.658 12.265 1.150 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.540 12.925 -1.135 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.483 10.945 0.781 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.367 11.602 -1.499 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.336 10.614 -0.544 1.00 0.00 C ATOM 0 H PHE A 11 -2.028 14.175 3.049 1.00 0.00 H new ATOM 0 HA PHE A 11 0.107 15.051 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.914 14.864 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.837 15.376 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.769 12.511 2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.556 13.690 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.462 10.172 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.255 11.343 -2.542 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.197 9.583 -0.834 1.00 0.00 H new ATOM 175 N ARG A 12 -2.003 17.316 2.561 1.00 0.00 N ATOM 176 CA ARG A 12 -2.175 18.752 2.898 1.00 0.00 C ATOM 177 C ARG A 12 -0.911 19.346 3.551 1.00 0.00 C ATOM 178 O ARG A 12 -0.600 20.526 3.355 1.00 0.00 O ATOM 179 CB ARG A 12 -3.396 18.948 3.841 1.00 0.00 C ATOM 180 CG ARG A 12 -4.777 18.768 3.166 1.00 0.00 C ATOM 181 CD ARG A 12 -5.956 18.908 4.153 1.00 0.00 C ATOM 182 NE ARG A 12 -7.251 18.948 3.446 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.455 18.727 3.994 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.574 18.370 5.265 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.535 18.835 3.242 1.00 0.00 N ATOM 0 H ARG A 12 -2.713 16.713 2.977 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.350 19.283 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.316 18.240 4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.346 19.948 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.886 19.507 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.820 17.786 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.948 18.072 4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.833 19.817 4.742 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.228 19.163 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.741 18.259 5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.498 18.206 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.448 19.084 2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.457 18.670 3.646 1.00 0.00 H new ATOM 199 N GLN A 13 -0.201 18.518 4.335 1.00 0.00 N ATOM 200 CA GLN A 13 1.028 18.930 5.032 1.00 0.00 C ATOM 201 C GLN A 13 2.248 18.921 4.079 1.00 0.00 C ATOM 202 O GLN A 13 2.927 19.944 3.922 1.00 0.00 O ATOM 203 CB GLN A 13 1.276 18.008 6.258 1.00 0.00 C ATOM 204 CG GLN A 13 2.503 18.373 7.115 1.00 0.00 C ATOM 205 CD GLN A 13 2.448 19.799 7.680 1.00 0.00 C ATOM 206 OE1 GLN A 13 1.912 20.029 8.764 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.009 20.758 6.951 1.00 0.00 N ATOM 0 H GLN A 13 -0.462 17.546 4.503 1.00 0.00 H new ATOM 0 HA GLN A 13 0.897 19.954 5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.390 18.028 6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.391 16.983 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.584 17.666 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.404 18.263 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.444 20.530 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.004 21.722 7.285 1.00 0.00 H new ATOM 216 N VAL A 14 2.495 17.751 3.457 1.00 0.00 N ATOM 217 CA VAL A 14 3.662 17.496 2.582 1.00 0.00 C ATOM 218 C VAL A 14 3.734 18.495 1.414 1.00 0.00 C ATOM 219 O VAL A 14 4.734 19.198 1.247 1.00 0.00 O ATOM 220 CB VAL A 14 3.610 16.016 2.024 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.633 15.776 0.883 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.805 14.997 3.171 1.00 0.00 C ATOM 0 H VAL A 14 1.881 16.942 3.549 1.00 0.00 H new ATOM 0 HA VAL A 14 4.560 17.628 3.186 1.00 0.00 H new ATOM 0 HB VAL A 14 2.621 15.869 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.556 14.746 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.422 16.454 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.641 15.960 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.766 13.985 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.773 15.163 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.013 15.124 3.909 1.00 0.00 H new ATOM 232 N PHE A 15 2.640 18.573 0.646 1.00 0.00 N ATOM 233 CA PHE A 15 2.563 19.404 -0.574 1.00 0.00 C ATOM 234 C PHE A 15 2.213 20.859 -0.224 1.00 0.00 C ATOM 235 O PHE A 15 2.399 21.753 -1.060 1.00 0.00 O ATOM 236 CB PHE A 15 1.542 18.789 -1.569 1.00 0.00 C ATOM 237 CG PHE A 15 1.893 17.347 -1.946 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.876 17.077 -2.896 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.279 16.267 -1.315 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.219 15.775 -3.205 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.622 14.969 -1.630 1.00 0.00 C ATOM 242 CZ PHE A 15 2.597 14.726 -2.566 1.00 0.00 C ATOM 0 H PHE A 15 1.780 18.063 0.848 1.00 0.00 H new ATOM 0 HA PHE A 15 3.540 19.418 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.546 18.814 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.505 19.399 -2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.375 17.894 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.522 16.449 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.977 15.580 -3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.124 14.145 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.877 13.710 -2.801 1.00 0.00 H new ATOM 252 N ASP A 16 1.719 21.070 1.020 1.00 0.00 N ATOM 253 CA ASP A 16 1.398 22.403 1.576 1.00 0.00 C ATOM 254 C ASP A 16 0.202 23.035 0.829 1.00 0.00 C ATOM 255 O ASP A 16 0.383 23.826 -0.100 1.00 0.00 O ATOM 256 CB ASP A 16 2.652 23.336 1.602 1.00 0.00 C ATOM 257 CG ASP A 16 2.360 24.737 2.174 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.194 24.862 3.409 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.300 25.718 1.400 1.00 0.00 O ATOM 0 H ASP A 16 1.531 20.308 1.672 1.00 0.00 H new ATOM 0 HA ASP A 16 1.096 22.274 2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.434 22.865 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.040 23.439 0.589 1.00 0.00 H new ATOM 264 N ASP A 17 -1.012 22.605 1.221 1.00 0.00 N ATOM 265 CA ASP A 17 -2.290 23.107 0.682 1.00 0.00 C ATOM 266 C ASP A 17 -3.447 22.438 1.433 1.00 0.00 C ATOM 267 O ASP A 17 -3.634 21.228 1.316 1.00 0.00 O ATOM 268 CB ASP A 17 -2.424 22.839 -0.848 1.00 0.00 C ATOM 269 CG ASP A 17 -3.771 23.282 -1.435 1.00 0.00 C ATOM 270 OD1 ASP A 17 -4.017 24.499 -1.530 1.00 0.00 O ATOM 271 OD2 ASP A 17 -4.590 22.421 -1.809 1.00 0.00 O ATOM 0 H ASP A 17 -1.134 21.886 1.934 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.319 24.187 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.621 23.359 -1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.289 21.774 -1.035 1.00 0.00 H new ATOM 276 N ASP A 18 -4.234 23.230 2.185 1.00 0.00 N ATOM 277 CA ASP A 18 -5.361 22.709 2.994 1.00 0.00 C ATOM 278 C ASP A 18 -6.598 22.402 2.114 1.00 0.00 C ATOM 279 O ASP A 18 -7.560 21.793 2.584 1.00 0.00 O ATOM 280 CB ASP A 18 -5.732 23.710 4.132 1.00 0.00 C ATOM 281 CG ASP A 18 -6.610 24.893 3.676 1.00 0.00 C ATOM 282 OD1 ASP A 18 -6.170 25.670 2.806 1.00 0.00 O ATOM 283 OD2 ASP A 18 -7.746 25.048 4.183 1.00 0.00 O ATOM 0 H ASP A 18 -4.112 24.240 2.252 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.036 21.773 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.254 23.168 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.813 24.102 4.569 1.00 0.00 H new ATOM 288 N SER A 19 -6.548 22.816 0.833 1.00 0.00 N ATOM 289 CA SER A 19 -7.660 22.639 -0.119 1.00 0.00 C ATOM 290 C SER A 19 -7.653 21.218 -0.736 1.00 0.00 C ATOM 291 O SER A 19 -8.621 20.829 -1.397 1.00 0.00 O ATOM 292 CB SER A 19 -7.588 23.719 -1.219 1.00 0.00 C ATOM 293 OG SER A 19 -7.549 25.023 -0.663 1.00 0.00 O ATOM 0 H SER A 19 -5.735 23.282 0.430 1.00 0.00 H new ATOM 0 HA SER A 19 -8.599 22.753 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.702 23.557 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.452 23.628 -1.877 1.00 0.00 H new ATOM 0 HG SER A 19 -7.502 25.685 -1.384 1.00 0.00 H new ATOM 299 N ILE A 20 -6.540 20.468 -0.536 1.00 0.00 N ATOM 300 CA ILE A 20 -6.403 19.065 -0.991 1.00 0.00 C ATOM 301 C ILE A 20 -7.540 18.188 -0.412 1.00 0.00 C ATOM 302 O ILE A 20 -7.689 18.064 0.805 1.00 0.00 O ATOM 303 CB ILE A 20 -4.974 18.477 -0.607 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.843 19.166 -1.451 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.906 16.936 -0.754 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.416 18.710 -1.141 1.00 0.00 C ATOM 0 H ILE A 20 -5.713 20.821 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.486 19.052 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.813 18.702 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.042 18.985 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.903 20.243 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.910 16.588 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.645 16.475 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.115 16.660 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.715 19.248 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.187 18.917 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.328 17.640 -1.327 1.00 0.00 H new ATOM 318 N VAL A 21 -8.359 17.626 -1.320 1.00 0.00 N ATOM 319 CA VAL A 21 -9.451 16.692 -1.000 1.00 0.00 C ATOM 320 C VAL A 21 -9.248 15.457 -1.891 1.00 0.00 C ATOM 321 O VAL A 21 -9.562 15.480 -3.092 1.00 0.00 O ATOM 322 CB VAL A 21 -10.883 17.322 -1.219 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.013 16.295 -0.922 1.00 0.00 C ATOM 324 CG2 VAL A 21 -11.069 18.612 -0.375 1.00 0.00 C ATOM 0 H VAL A 21 -8.277 17.814 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.414 16.433 0.058 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.956 17.597 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.983 16.765 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.910 15.438 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.939 15.962 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.065 19.020 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.954 18.375 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.319 19.348 -0.665 1.00 0.00 H new ATOM 334 N LEU A 22 -8.640 14.422 -1.297 1.00 0.00 N ATOM 335 CA LEU A 22 -8.220 13.207 -2.014 1.00 0.00 C ATOM 336 C LEU A 22 -9.408 12.396 -2.547 1.00 0.00 C ATOM 337 O LEU A 22 -10.465 12.313 -1.911 1.00 0.00 O ATOM 338 CB LEU A 22 -7.335 12.330 -1.093 1.00 0.00 C ATOM 339 CG LEU A 22 -6.007 13.000 -0.606 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.258 12.095 0.377 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.110 13.399 -1.801 1.00 0.00 C ATOM 0 H LEU A 22 -8.424 14.402 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.642 13.525 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.920 12.044 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.086 11.411 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.272 13.914 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.340 12.587 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.888 11.901 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.013 11.152 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.195 13.862 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.858 12.510 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.643 14.107 -2.436 1.00 0.00 H new ATOM 353 N THR A 23 -9.206 11.815 -3.729 1.00 0.00 N ATOM 354 CA THR A 23 -10.136 10.870 -4.359 1.00 0.00 C ATOM 355 C THR A 23 -9.338 9.612 -4.744 1.00 0.00 C ATOM 356 O THR A 23 -8.128 9.527 -4.459 1.00 0.00 O ATOM 357 CB THR A 23 -10.839 11.479 -5.630 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.877 11.750 -6.661 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.623 12.768 -5.310 1.00 0.00 C ATOM 0 H THR A 23 -8.373 11.990 -4.291 1.00 0.00 H new ATOM 0 HA THR A 23 -10.930 10.630 -3.652 1.00 0.00 H new ATOM 0 HB THR A 23 -11.552 10.731 -5.978 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.097 12.197 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.088 13.146 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.395 12.551 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.941 13.519 -4.912 1.00 0.00 H new ATOM 367 N ARG A 24 -10.020 8.627 -5.353 1.00 0.00 N ATOM 368 CA ARG A 24 -9.374 7.420 -5.903 1.00 0.00 C ATOM 369 C ARG A 24 -8.292 7.813 -6.923 1.00 0.00 C ATOM 370 O ARG A 24 -7.122 7.482 -6.768 1.00 0.00 O ATOM 371 CB ARG A 24 -10.412 6.501 -6.605 1.00 0.00 C ATOM 372 CG ARG A 24 -11.677 6.170 -5.784 1.00 0.00 C ATOM 373 CD ARG A 24 -12.714 5.388 -6.613 1.00 0.00 C ATOM 374 NE ARG A 24 -13.035 6.083 -7.880 1.00 0.00 N ATOM 375 CZ ARG A 24 -13.600 5.523 -8.954 1.00 0.00 C ATOM 376 NH1 ARG A 24 -13.984 4.251 -8.943 1.00 0.00 N ATOM 377 NH2 ARG A 24 -13.778 6.255 -10.044 1.00 0.00 N ATOM 0 H ARG A 24 -11.032 8.644 -5.478 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.923 6.879 -5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.720 6.977 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.920 5.566 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.398 5.585 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.126 7.094 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.330 4.392 -6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.625 5.257 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.805 7.075 -7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.849 3.685 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.414 3.841 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.485 7.232 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.208 5.841 -10.871 1.00 0.00 H new ATOM 391 N GLU A 25 -8.708 8.592 -7.932 1.00 0.00 N ATOM 392 CA GLU A 25 -7.894 8.894 -9.125 1.00 0.00 C ATOM 393 C GLU A 25 -7.147 10.243 -8.992 1.00 0.00 C ATOM 394 O GLU A 25 -6.658 10.791 -9.989 1.00 0.00 O ATOM 395 CB GLU A 25 -8.812 8.834 -10.376 1.00 0.00 C ATOM 396 CG GLU A 25 -10.055 9.754 -10.318 1.00 0.00 C ATOM 397 CD GLU A 25 -11.215 9.253 -11.198 1.00 0.00 C ATOM 398 OE1 GLU A 25 -11.214 9.515 -12.416 1.00 0.00 O ATOM 399 OE2 GLU A 25 -12.118 8.559 -10.667 1.00 0.00 O ATOM 0 H GLU A 25 -9.626 9.035 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.108 8.146 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.223 9.099 -11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.146 7.806 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.396 9.830 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.773 10.758 -10.635 1.00 0.00 H new ATOM 406 N THR A 26 -7.063 10.777 -7.750 1.00 0.00 N ATOM 407 CA THR A 26 -6.039 11.779 -7.392 1.00 0.00 C ATOM 408 C THR A 26 -4.660 11.103 -7.486 1.00 0.00 C ATOM 409 O THR A 26 -4.528 9.947 -7.099 1.00 0.00 O ATOM 410 CB THR A 26 -6.259 12.361 -5.950 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.529 13.018 -5.887 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.160 13.357 -5.524 1.00 0.00 C ATOM 0 H THR A 26 -7.690 10.530 -6.985 1.00 0.00 H new ATOM 0 HA THR A 26 -6.110 12.619 -8.083 1.00 0.00 H new ATOM 0 HB THR A 26 -6.219 11.517 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.539 13.638 -5.128 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.370 13.723 -4.519 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.192 12.856 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.141 14.197 -6.219 1.00 0.00 H new ATOM 420 N SER A 27 -3.655 11.817 -7.996 1.00 0.00 N ATOM 421 CA SER A 27 -2.337 11.239 -8.299 1.00 0.00 C ATOM 422 C SER A 27 -1.315 12.350 -8.546 1.00 0.00 C ATOM 423 O SER A 27 -1.618 13.539 -8.382 1.00 0.00 O ATOM 424 CB SER A 27 -2.438 10.329 -9.547 1.00 0.00 C ATOM 425 OG SER A 27 -2.781 11.080 -10.705 1.00 0.00 O ATOM 0 H SER A 27 -3.728 12.811 -8.212 1.00 0.00 H new ATOM 0 HA SER A 27 -2.009 10.644 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.487 9.821 -9.708 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.187 9.556 -9.377 1.00 0.00 H new ATOM 0 HG SER A 27 -2.836 10.481 -11.479 1.00 0.00 H new ATOM 431 N ALA A 28 -0.106 11.944 -8.961 1.00 0.00 N ATOM 432 CA ALA A 28 0.947 12.852 -9.394 1.00 0.00 C ATOM 433 C ALA A 28 0.604 13.616 -10.688 1.00 0.00 C ATOM 434 O ALA A 28 1.249 14.617 -10.998 1.00 0.00 O ATOM 435 CB ALA A 28 2.224 12.053 -9.556 1.00 0.00 C ATOM 0 H ALA A 28 0.164 10.961 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 28 1.068 13.622 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.028 12.714 -9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.491 11.597 -8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.073 11.272 -10.302 1.00 0.00 H new ATOM 441 N ASN A 29 -0.400 13.133 -11.439 1.00 0.00 N ATOM 442 CA ASN A 29 -0.899 13.807 -12.653 1.00 0.00 C ATOM 443 C ASN A 29 -1.976 14.838 -12.266 1.00 0.00 C ATOM 444 O ASN A 29 -2.045 15.930 -12.843 1.00 0.00 O ATOM 445 CB ASN A 29 -1.461 12.756 -13.649 1.00 0.00 C ATOM 446 CG ASN A 29 -2.120 13.365 -14.892 1.00 0.00 C ATOM 447 OD1 ASN A 29 -3.338 13.537 -14.949 1.00 0.00 O ATOM 448 ND2 ASN A 29 -1.314 13.714 -15.887 1.00 0.00 N ATOM 0 H ASN A 29 -0.889 12.265 -11.223 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.080 14.333 -13.143 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.650 12.100 -13.965 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.191 12.134 -13.131 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.699 14.138 -16.731 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.309 13.558 -15.808 1.00 0.00 H new ATOM 455 N ASP A 30 -2.805 14.471 -11.267 1.00 0.00 N ATOM 456 CA ASP A 30 -3.883 15.333 -10.743 1.00 0.00 C ATOM 457 C ASP A 30 -3.315 16.465 -9.857 1.00 0.00 C ATOM 458 O ASP A 30 -3.979 17.475 -9.633 1.00 0.00 O ATOM 459 CB ASP A 30 -4.912 14.467 -9.965 1.00 0.00 C ATOM 460 CG ASP A 30 -6.039 15.274 -9.286 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.857 15.888 -9.997 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.122 15.283 -8.043 1.00 0.00 O ATOM 0 H ASP A 30 -2.745 13.566 -10.800 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.391 15.810 -11.581 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.359 13.750 -10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.384 13.892 -9.204 1.00 0.00 H new ATOM 467 N ILE A 31 -2.068 16.306 -9.378 1.00 0.00 N ATOM 468 CA ILE A 31 -1.383 17.324 -8.567 1.00 0.00 C ATOM 469 C ILE A 31 -0.125 17.763 -9.333 1.00 0.00 C ATOM 470 O ILE A 31 0.820 16.987 -9.472 1.00 0.00 O ATOM 471 CB ILE A 31 -1.018 16.782 -7.122 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.312 16.300 -6.370 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.245 17.848 -6.293 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.123 15.866 -4.918 1.00 0.00 C ATOM 0 H ILE A 31 -1.509 15.469 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.046 18.175 -8.409 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.356 15.924 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.044 17.108 -6.394 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.740 15.465 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.011 17.443 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.680 18.109 -6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.862 18.740 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.082 15.555 -4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.422 15.033 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.730 16.700 -4.337 1.00 0.00 H new ATOM 486 N ASP A 32 -0.161 18.983 -9.894 1.00 0.00 N ATOM 487 CA ASP A 32 0.972 19.582 -10.635 1.00 0.00 C ATOM 488 C ASP A 32 2.188 19.793 -9.714 1.00 0.00 C ATOM 489 O ASP A 32 3.335 19.590 -10.130 1.00 0.00 O ATOM 490 CB ASP A 32 0.541 20.933 -11.270 1.00 0.00 C ATOM 491 CG ASP A 32 1.653 21.616 -12.093 1.00 0.00 C ATOM 492 OD1 ASP A 32 1.801 21.301 -13.295 1.00 0.00 O ATOM 493 OD2 ASP A 32 2.383 22.480 -11.548 1.00 0.00 O ATOM 0 H ASP A 32 -0.980 19.589 -9.848 1.00 0.00 H new ATOM 0 HA ASP A 32 1.262 18.891 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.322 20.763 -11.914 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.220 21.610 -10.478 1.00 0.00 H new ATOM 498 N ALA A 33 1.914 20.199 -8.456 1.00 0.00 N ATOM 499 CA ALA A 33 2.954 20.409 -7.418 1.00 0.00 C ATOM 500 C ALA A 33 3.618 19.089 -6.957 1.00 0.00 C ATOM 501 O ALA A 33 4.595 19.115 -6.190 1.00 0.00 O ATOM 502 CB ALA A 33 2.351 21.145 -6.213 1.00 0.00 C ATOM 0 H ALA A 33 0.967 20.391 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 33 3.738 21.017 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.121 21.295 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.964 22.112 -6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.540 20.551 -5.793 1.00 0.00 H new ATOM 508 N TRP A 34 3.066 17.942 -7.398 1.00 0.00 N ATOM 509 CA TRP A 34 3.641 16.626 -7.116 1.00 0.00 C ATOM 510 C TRP A 34 4.890 16.438 -7.992 1.00 0.00 C ATOM 511 O TRP A 34 4.800 16.342 -9.221 1.00 0.00 O ATOM 512 CB TRP A 34 2.614 15.498 -7.384 1.00 0.00 C ATOM 513 CG TRP A 34 2.920 14.182 -6.702 1.00 0.00 C ATOM 514 CD1 TRP A 34 4.059 13.426 -6.791 1.00 0.00 C ATOM 515 CD2 TRP A 34 2.035 13.458 -5.850 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.924 12.296 -6.037 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.703 12.303 -5.434 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.749 13.703 -5.377 1.00 0.00 C ATOM 519 CZ2 TRP A 34 2.123 11.377 -4.582 1.00 0.00 C ATOM 520 CZ3 TRP A 34 0.168 12.786 -4.531 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.864 11.639 -4.130 1.00 0.00 C ATOM 0 H TRP A 34 2.213 17.909 -7.957 1.00 0.00 H new ATOM 0 HA TRP A 34 3.915 16.571 -6.062 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.630 15.838 -7.060 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.555 15.328 -8.459 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.933 13.685 -7.371 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.626 11.563 -5.941 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.217 14.596 -5.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.649 10.481 -4.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.837 12.953 -4.172 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.393 10.947 -3.448 1.00 0.00 H new ATOM 532 N ASP A 35 6.035 16.419 -7.330 1.00 0.00 N ATOM 533 CA ASP A 35 7.362 16.217 -7.935 1.00 0.00 C ATOM 534 C ASP A 35 7.957 14.917 -7.360 1.00 0.00 C ATOM 535 O ASP A 35 7.384 14.351 -6.419 1.00 0.00 O ATOM 536 CB ASP A 35 8.249 17.453 -7.602 1.00 0.00 C ATOM 537 CG ASP A 35 9.671 17.398 -8.192 1.00 0.00 C ATOM 538 OD1 ASP A 35 9.865 17.810 -9.353 1.00 0.00 O ATOM 539 OD2 ASP A 35 10.602 16.938 -7.493 1.00 0.00 O ATOM 0 H ASP A 35 6.079 16.548 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 35 7.303 16.122 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.752 18.351 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.322 17.550 -6.519 1.00 0.00 H new ATOM 544 N SER A 36 9.072 14.420 -7.939 1.00 0.00 N ATOM 545 CA SER A 36 9.835 13.280 -7.400 1.00 0.00 C ATOM 546 C SER A 36 10.137 13.445 -5.898 1.00 0.00 C ATOM 547 O SER A 36 9.823 12.576 -5.087 1.00 0.00 O ATOM 548 CB SER A 36 11.171 13.126 -8.184 1.00 0.00 C ATOM 549 OG SER A 36 11.065 12.721 -9.610 1.00 0.00 O ATOM 0 H SER A 36 9.467 14.803 -8.798 1.00 0.00 H new ATOM 0 HA SER A 36 9.222 12.387 -7.520 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.704 14.076 -8.139 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.787 12.390 -7.666 1.00 0.00 H new ATOM 554 N LEU A 37 10.736 14.586 -5.557 1.00 0.00 N ATOM 555 CA LEU A 37 11.163 14.907 -4.182 1.00 0.00 C ATOM 556 C LEU A 37 9.956 15.107 -3.229 1.00 0.00 C ATOM 557 O LEU A 37 10.040 14.765 -2.042 1.00 0.00 O ATOM 558 CB LEU A 37 12.091 16.157 -4.179 1.00 0.00 C ATOM 559 CG LEU A 37 13.541 15.977 -4.748 1.00 0.00 C ATOM 560 CD1 LEU A 37 14.300 14.871 -3.995 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.548 15.752 -6.277 1.00 0.00 C ATOM 0 H LEU A 37 10.943 15.325 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 37 11.727 14.054 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.599 16.944 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.173 16.514 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 37 14.074 16.913 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.302 14.769 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.371 15.132 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.766 13.927 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.575 15.633 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.979 14.854 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.095 16.611 -6.773 1.00 0.00 H new ATOM 573 N SER A 38 8.845 15.640 -3.764 1.00 0.00 N ATOM 574 CA SER A 38 7.583 15.816 -3.010 1.00 0.00 C ATOM 575 C SER A 38 6.956 14.440 -2.682 1.00 0.00 C ATOM 576 O SER A 38 6.358 14.252 -1.616 1.00 0.00 O ATOM 577 CB SER A 38 6.594 16.677 -3.829 1.00 0.00 C ATOM 578 OG SER A 38 7.175 17.900 -4.249 1.00 0.00 O ATOM 0 H SER A 38 8.792 15.962 -4.730 1.00 0.00 H new ATOM 0 HA SER A 38 7.801 16.328 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.261 16.115 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.709 16.884 -3.227 1.00 0.00 H new ATOM 0 HG SER A 38 6.519 18.414 -4.765 1.00 0.00 H new ATOM 584 N HIS A 39 7.115 13.491 -3.631 1.00 0.00 N ATOM 585 CA HIS A 39 6.678 12.088 -3.476 1.00 0.00 C ATOM 586 C HIS A 39 7.488 11.391 -2.376 1.00 0.00 C ATOM 587 O HIS A 39 6.940 10.639 -1.565 1.00 0.00 O ATOM 588 CB HIS A 39 6.840 11.327 -4.815 1.00 0.00 C ATOM 589 CG HIS A 39 6.202 9.955 -4.859 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.861 9.795 -4.636 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.740 8.745 -5.157 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.606 8.515 -4.808 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.714 7.834 -5.119 1.00 0.00 N ATOM 0 H HIS A 39 7.554 13.680 -4.532 1.00 0.00 H new ATOM 0 HA HIS A 39 5.626 12.084 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.413 11.934 -5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.904 11.222 -5.028 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.192 10.523 -4.386 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.776 8.539 -5.381 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.626 8.071 -4.710 1.00 0.00 H new ATOM 601 N MET A 40 8.807 11.663 -2.359 1.00 0.00 N ATOM 602 CA MET A 40 9.715 11.121 -1.339 1.00 0.00 C ATOM 603 C MET A 40 9.319 11.630 0.058 1.00 0.00 C ATOM 604 O MET A 40 9.296 10.853 1.015 1.00 0.00 O ATOM 605 CB MET A 40 11.191 11.479 -1.650 1.00 0.00 C ATOM 606 CG MET A 40 11.713 10.935 -2.989 1.00 0.00 C ATOM 607 SD MET A 40 11.410 9.160 -3.205 1.00 0.00 S ATOM 608 CE MET A 40 12.329 8.437 -1.841 1.00 0.00 C ATOM 0 H MET A 40 9.267 12.260 -3.047 1.00 0.00 H new ATOM 0 HA MET A 40 9.625 10.035 -1.354 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.296 12.564 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.821 11.096 -0.847 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.239 11.480 -3.805 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.784 11.125 -3.059 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.281 7.350 -1.905 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.369 8.758 -1.893 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.895 8.764 -0.896 1.00 0.00 H new ATOM 618 N ASN A 41 8.966 12.936 0.134 1.00 0.00 N ATOM 619 CA ASN A 41 8.456 13.572 1.373 1.00 0.00 C ATOM 620 C ASN A 41 7.145 12.905 1.820 1.00 0.00 C ATOM 621 O ASN A 41 6.933 12.689 3.014 1.00 0.00 O ATOM 622 CB ASN A 41 8.222 15.100 1.181 1.00 0.00 C ATOM 623 CG ASN A 41 9.494 15.894 0.896 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.585 15.528 1.327 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.357 16.996 0.179 1.00 0.00 N ATOM 0 H ASN A 41 9.026 13.576 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 41 9.216 13.436 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.522 15.249 0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.750 15.500 2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.172 17.572 -0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.436 17.271 -0.163 1.00 0.00 H new ATOM 632 N LEU A 42 6.281 12.572 0.843 1.00 0.00 N ATOM 633 CA LEU A 42 4.955 11.972 1.099 1.00 0.00 C ATOM 634 C LEU A 42 5.093 10.585 1.757 1.00 0.00 C ATOM 635 O LEU A 42 4.488 10.325 2.811 1.00 0.00 O ATOM 636 CB LEU A 42 4.143 11.912 -0.242 1.00 0.00 C ATOM 637 CG LEU A 42 2.611 11.569 -0.163 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.330 10.052 -0.065 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.940 12.349 0.989 1.00 0.00 C ATOM 0 H LEU A 42 6.481 12.711 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 42 4.405 12.596 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.244 12.878 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.618 11.173 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 42 2.166 11.889 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.254 9.884 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.734 9.550 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.803 9.652 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.880 12.099 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.412 12.080 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.054 13.420 0.819 1.00 0.00 H new ATOM 651 N ILE A 43 5.913 9.722 1.134 1.00 0.00 N ATOM 652 CA ILE A 43 6.131 8.333 1.590 1.00 0.00 C ATOM 653 C ILE A 43 6.756 8.321 2.994 1.00 0.00 C ATOM 654 O ILE A 43 6.234 7.656 3.885 1.00 0.00 O ATOM 655 CB ILE A 43 6.989 7.492 0.536 1.00 0.00 C ATOM 656 CG1 ILE A 43 6.083 6.895 -0.603 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.821 6.356 1.200 1.00 0.00 C ATOM 658 CD1 ILE A 43 5.251 7.893 -1.386 1.00 0.00 C ATOM 0 H ILE A 43 6.445 9.965 0.299 1.00 0.00 H new ATOM 0 HA ILE A 43 5.162 7.839 1.656 1.00 0.00 H new ATOM 0 HB ILE A 43 7.691 8.200 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.722 6.357 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.410 6.162 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.382 5.821 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.514 6.787 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.150 5.664 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.669 7.367 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.577 8.416 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.909 8.614 -1.871 1.00 0.00 H new ATOM 670 N VAL A 44 7.827 9.121 3.207 1.00 0.00 N ATOM 671 CA VAL A 44 8.550 9.139 4.497 1.00 0.00 C ATOM 672 C VAL A 44 7.686 9.702 5.641 1.00 0.00 C ATOM 673 O VAL A 44 7.901 9.351 6.800 1.00 0.00 O ATOM 674 CB VAL A 44 9.907 9.919 4.421 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.839 9.302 3.354 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.712 11.437 4.195 1.00 0.00 C ATOM 0 H VAL A 44 8.206 9.758 2.506 1.00 0.00 H new ATOM 0 HA VAL A 44 8.776 8.095 4.715 1.00 0.00 H new ATOM 0 HB VAL A 44 10.387 9.815 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.774 9.861 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.046 8.263 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.355 9.346 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.685 11.926 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.181 11.600 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.132 11.856 5.018 1.00 0.00 H new ATOM 686 N SER A 45 6.722 10.584 5.295 1.00 0.00 N ATOM 687 CA SER A 45 5.717 11.087 6.254 1.00 0.00 C ATOM 688 C SER A 45 4.776 9.954 6.708 1.00 0.00 C ATOM 689 O SER A 45 4.431 9.870 7.883 1.00 0.00 O ATOM 690 CB SER A 45 4.915 12.264 5.654 1.00 0.00 C ATOM 691 OG SER A 45 5.745 13.394 5.451 1.00 0.00 O ATOM 0 H SER A 45 6.620 10.963 4.353 1.00 0.00 H new ATOM 0 HA SER A 45 6.247 11.458 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.471 11.960 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.094 12.527 6.321 1.00 0.00 H new ATOM 0 HG SER A 45 6.241 13.289 4.612 1.00 0.00 H new ATOM 697 N LEU A 46 4.386 9.070 5.775 1.00 0.00 N ATOM 698 CA LEU A 46 3.557 7.890 6.097 1.00 0.00 C ATOM 699 C LEU A 46 4.366 6.873 6.939 1.00 0.00 C ATOM 700 O LEU A 46 3.827 6.239 7.858 1.00 0.00 O ATOM 701 CB LEU A 46 3.023 7.235 4.794 1.00 0.00 C ATOM 702 CG LEU A 46 2.117 8.135 3.894 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.706 7.414 2.590 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.887 8.630 4.676 1.00 0.00 C ATOM 0 H LEU A 46 4.631 9.148 4.788 1.00 0.00 H new ATOM 0 HA LEU A 46 2.702 8.214 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.876 6.905 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.459 6.342 5.065 1.00 0.00 H new ATOM 0 HG LEU A 46 2.703 9.007 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.077 8.074 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.599 7.152 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.152 6.508 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.271 9.255 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.304 7.774 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.214 9.212 5.538 1.00 0.00 H new ATOM 716 N GLU A 47 5.672 6.765 6.626 1.00 0.00 N ATOM 717 CA GLU A 47 6.608 5.863 7.318 1.00 0.00 C ATOM 718 C GLU A 47 6.792 6.272 8.790 1.00 0.00 C ATOM 719 O GLU A 47 6.762 5.420 9.668 1.00 0.00 O ATOM 720 CB GLU A 47 7.985 5.840 6.590 1.00 0.00 C ATOM 721 CG GLU A 47 7.952 5.323 5.131 1.00 0.00 C ATOM 722 CD GLU A 47 7.707 3.810 4.998 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.556 3.358 5.160 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.670 3.064 4.707 1.00 0.00 O ATOM 0 H GLU A 47 6.108 7.306 5.880 1.00 0.00 H new ATOM 0 HA GLU A 47 6.181 4.860 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.395 6.850 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.671 5.217 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.171 5.854 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.899 5.569 4.650 1.00 0.00 H new ATOM 731 N VAL A 48 7.015 7.580 9.048 1.00 0.00 N ATOM 732 CA VAL A 48 7.238 8.086 10.418 1.00 0.00 C ATOM 733 C VAL A 48 5.929 8.144 11.237 1.00 0.00 C ATOM 734 O VAL A 48 5.912 7.725 12.402 1.00 0.00 O ATOM 735 CB VAL A 48 7.968 9.487 10.435 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.380 9.388 9.817 1.00 0.00 C ATOM 737 CG2 VAL A 48 7.148 10.607 9.746 1.00 0.00 C ATOM 0 H VAL A 48 7.045 8.301 8.327 1.00 0.00 H new ATOM 0 HA VAL A 48 7.902 7.366 10.897 1.00 0.00 H new ATOM 0 HB VAL A 48 8.062 9.767 11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.858 10.367 9.843 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.978 8.677 10.388 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.302 9.049 8.784 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.703 11.544 9.791 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.971 10.340 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.193 10.726 10.258 1.00 0.00 H new ATOM 747 N HIS A 49 4.839 8.653 10.619 1.00 0.00 N ATOM 748 CA HIS A 49 3.531 8.813 11.296 1.00 0.00 C ATOM 749 C HIS A 49 2.950 7.457 11.721 1.00 0.00 C ATOM 750 O HIS A 49 2.745 7.208 12.912 1.00 0.00 O ATOM 751 CB HIS A 49 2.510 9.579 10.400 1.00 0.00 C ATOM 752 CG HIS A 49 2.630 11.080 10.446 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.682 11.886 11.039 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.581 11.914 9.974 1.00 0.00 C ATOM 755 CE1 HIS A 49 2.045 13.148 10.932 1.00 0.00 C ATOM 756 NE2 HIS A 49 3.199 13.191 10.290 1.00 0.00 N ATOM 0 H HIS A 49 4.840 8.962 9.647 1.00 0.00 H new ATOM 0 HA HIS A 49 3.709 9.407 12.192 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.635 9.250 9.368 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.501 9.300 10.703 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.478 11.627 9.445 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.495 13.999 11.304 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.721 14.038 10.066 1.00 0.00 H new ATOM 765 N TYR A 50 2.740 6.574 10.741 1.00 0.00 N ATOM 766 CA TYR A 50 2.051 5.290 10.954 1.00 0.00 C ATOM 767 C TYR A 50 3.045 4.188 11.358 1.00 0.00 C ATOM 768 O TYR A 50 2.626 3.063 11.590 1.00 0.00 O ATOM 769 CB TYR A 50 1.279 4.884 9.668 1.00 0.00 C ATOM 770 CG TYR A 50 0.249 5.930 9.216 1.00 0.00 C ATOM 771 CD1 TYR A 50 0.615 6.981 8.374 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.082 5.872 9.637 1.00 0.00 C ATOM 773 CE1 TYR A 50 -0.296 7.935 7.980 1.00 0.00 C ATOM 774 CE2 TYR A 50 -1.999 6.831 9.245 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.601 7.855 8.408 1.00 0.00 C ATOM 776 OH TYR A 50 -2.503 8.819 8.029 1.00 0.00 O ATOM 0 H TYR A 50 3.041 6.725 9.778 1.00 0.00 H new ATOM 0 HA TYR A 50 1.340 5.412 11.771 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.994 4.718 8.862 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.770 3.936 9.843 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.635 7.047 8.024 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.401 5.065 10.280 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.013 8.745 7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.021 6.779 9.592 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.251 9.176 7.152 1.00 0.00 H new ATOM 786 N LYS A 51 4.358 4.549 11.467 1.00 0.00 N ATOM 787 CA LYS A 51 5.491 3.622 11.750 1.00 0.00 C ATOM 788 C LYS A 51 5.360 2.280 11.001 1.00 0.00 C ATOM 789 O LYS A 51 5.325 1.195 11.593 1.00 0.00 O ATOM 790 CB LYS A 51 5.853 3.505 13.289 1.00 0.00 C ATOM 791 CG LYS A 51 4.713 3.717 14.319 1.00 0.00 C ATOM 792 CD LYS A 51 3.781 2.498 14.499 1.00 0.00 C ATOM 793 CE LYS A 51 2.676 2.750 15.543 1.00 0.00 C ATOM 794 NZ LYS A 51 3.236 3.061 16.888 1.00 0.00 N ATOM 0 H LYS A 51 4.662 5.516 11.357 1.00 0.00 H new ATOM 0 HA LYS A 51 6.380 4.087 11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.278 2.516 13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.638 4.230 13.504 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.154 3.968 15.284 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.115 4.574 14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.322 2.251 13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.372 1.634 14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.047 3.577 15.212 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.036 1.871 15.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.474 3.040 17.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.958 2.354 17.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.668 4.007 16.874 1.00 0.00 H new ATOM 808 N ILE A 52 5.264 2.411 9.662 1.00 0.00 N ATOM 809 CA ILE A 52 5.045 1.302 8.716 1.00 0.00 C ATOM 810 C ILE A 52 6.273 1.150 7.791 1.00 0.00 C ATOM 811 O ILE A 52 7.275 1.855 7.971 1.00 0.00 O ATOM 812 CB ILE A 52 3.730 1.518 7.865 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.762 2.881 7.095 1.00 0.00 C ATOM 814 CG2 ILE A 52 2.473 1.398 8.759 1.00 0.00 C ATOM 815 CD1 ILE A 52 2.519 3.188 6.261 1.00 0.00 C ATOM 0 H ILE A 52 5.339 3.316 9.198 1.00 0.00 H new ATOM 0 HA ILE A 52 4.915 0.385 9.290 1.00 0.00 H new ATOM 0 HB ILE A 52 3.682 0.729 7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.902 3.685 7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.631 2.888 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.580 1.550 8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.441 0.406 9.210 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.512 2.153 9.544 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.641 4.153 5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.384 2.411 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.644 3.220 6.910 1.00 0.00 H new ATOM 827 N LYS A 53 6.203 0.219 6.820 1.00 0.00 N ATOM 828 CA LYS A 53 7.301 -0.019 5.860 1.00 0.00 C ATOM 829 C LYS A 53 6.747 -0.260 4.443 1.00 0.00 C ATOM 830 O LYS A 53 6.120 -1.290 4.191 1.00 0.00 O ATOM 831 CB LYS A 53 8.163 -1.236 6.303 1.00 0.00 C ATOM 832 CG LYS A 53 9.338 -1.554 5.345 1.00 0.00 C ATOM 833 CD LYS A 53 10.117 -2.833 5.731 1.00 0.00 C ATOM 834 CE LYS A 53 11.287 -3.121 4.768 1.00 0.00 C ATOM 835 NZ LYS A 53 12.016 -4.371 5.121 1.00 0.00 N ATOM 0 H LYS A 53 5.393 -0.384 6.679 1.00 0.00 H new ATOM 0 HA LYS A 53 7.929 0.872 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.561 -1.043 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.522 -2.114 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.951 -1.665 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.026 -0.709 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.502 -2.729 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.435 -3.683 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.905 -3.201 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.982 -2.281 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.793 -4.522 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.404 -4.287 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.361 -5.178 5.081 1.00 0.00 H new ATOM 849 N PHE A 54 6.965 0.705 3.535 1.00 0.00 N ATOM 850 CA PHE A 54 6.753 0.517 2.087 1.00 0.00 C ATOM 851 C PHE A 54 8.025 -0.071 1.454 1.00 0.00 C ATOM 852 O PHE A 54 9.143 0.313 1.820 1.00 0.00 O ATOM 853 CB PHE A 54 6.428 1.860 1.388 1.00 0.00 C ATOM 854 CG PHE A 54 5.127 2.532 1.827 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.907 1.867 1.725 1.00 0.00 C ATOM 856 CD2 PHE A 54 5.121 3.836 2.324 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.728 2.483 2.108 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.946 4.447 2.701 1.00 0.00 C ATOM 859 CZ PHE A 54 2.750 3.770 2.597 1.00 0.00 C ATOM 0 H PHE A 54 7.293 1.639 3.782 1.00 0.00 H new ATOM 0 HA PHE A 54 5.910 -0.161 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.252 2.551 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.383 1.688 0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.881 0.858 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.053 4.375 2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.790 1.954 2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.962 5.459 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.830 4.249 2.899 1.00 0.00 H new ATOM 869 N ALA A 55 7.835 -1.010 0.522 1.00 0.00 N ATOM 870 CA ALA A 55 8.896 -1.507 -0.367 1.00 0.00 C ATOM 871 C ALA A 55 8.774 -0.788 -1.724 1.00 0.00 C ATOM 872 O ALA A 55 7.682 -0.328 -2.071 1.00 0.00 O ATOM 873 CB ALA A 55 8.784 -3.039 -0.527 1.00 0.00 C ATOM 0 H ALA A 55 6.931 -1.453 0.360 1.00 0.00 H new ATOM 0 HA ALA A 55 9.877 -1.297 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.575 -3.395 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.884 -3.515 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.814 -3.290 -0.955 1.00 0.00 H new ATOM 879 N LEU A 56 9.888 -0.683 -2.473 1.00 0.00 N ATOM 880 CA LEU A 56 9.918 -0.042 -3.815 1.00 0.00 C ATOM 881 C LEU A 56 8.919 -0.734 -4.773 1.00 0.00 C ATOM 882 O LEU A 56 8.248 -0.062 -5.561 1.00 0.00 O ATOM 883 CB LEU A 56 11.378 -0.070 -4.385 1.00 0.00 C ATOM 884 CG LEU A 56 11.828 1.137 -5.282 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.028 1.244 -6.594 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.789 2.462 -4.488 1.00 0.00 C ATOM 0 H LEU A 56 10.795 -1.038 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 56 9.609 0.999 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.067 -0.139 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.494 -0.984 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 56 12.860 0.941 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.386 2.097 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.160 0.332 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.971 1.378 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.105 3.282 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.773 2.647 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.461 2.393 -3.632 1.00 0.00 H new ATOM 898 N GLY A 57 8.803 -2.071 -4.643 1.00 0.00 N ATOM 899 CA GLY A 57 7.820 -2.857 -5.399 1.00 0.00 C ATOM 900 C GLY A 57 6.371 -2.435 -5.118 1.00 0.00 C ATOM 901 O GLY A 57 5.533 -2.413 -6.024 1.00 0.00 O ATOM 0 H GLY A 57 9.384 -2.627 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.023 -2.754 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.940 -3.912 -5.153 1.00 0.00 H new ATOM 905 N GLU A 58 6.107 -2.065 -3.850 1.00 0.00 N ATOM 906 CA GLU A 58 4.788 -1.583 -3.385 1.00 0.00 C ATOM 907 C GLU A 58 4.560 -0.106 -3.763 1.00 0.00 C ATOM 908 O GLU A 58 3.411 0.351 -3.818 1.00 0.00 O ATOM 909 CB GLU A 58 4.657 -1.781 -1.857 1.00 0.00 C ATOM 910 CG GLU A 58 4.856 -3.233 -1.405 1.00 0.00 C ATOM 911 CD GLU A 58 4.691 -3.397 0.107 1.00 0.00 C ATOM 912 OE1 GLU A 58 5.539 -2.877 0.859 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.694 -4.004 0.558 1.00 0.00 O ATOM 0 H GLU A 58 6.809 -2.092 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 58 4.019 -2.171 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.389 -1.149 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.671 -1.442 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.138 -3.873 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.850 -3.570 -1.699 1.00 0.00 H new ATOM 920 N LEU A 59 5.659 0.628 -4.035 1.00 0.00 N ATOM 921 CA LEU A 59 5.592 2.014 -4.543 1.00 0.00 C ATOM 922 C LEU A 59 5.238 2.003 -6.048 1.00 0.00 C ATOM 923 O LEU A 59 4.592 2.929 -6.553 1.00 0.00 O ATOM 924 CB LEU A 59 6.927 2.772 -4.286 1.00 0.00 C ATOM 925 CG LEU A 59 7.368 2.905 -2.795 1.00 0.00 C ATOM 926 CD1 LEU A 59 8.658 3.743 -2.659 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.229 3.470 -1.919 1.00 0.00 C ATOM 0 H LEU A 59 6.610 0.280 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 59 4.809 2.546 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.720 2.264 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.839 3.773 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 59 7.593 1.903 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.936 3.815 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.464 3.264 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.486 4.743 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.569 3.550 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.944 4.457 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.368 2.803 -1.967 1.00 0.00 H new ATOM 939 N GLN A 60 5.681 0.939 -6.759 1.00 0.00 N ATOM 940 CA GLN A 60 5.273 0.670 -8.159 1.00 0.00 C ATOM 941 C GLN A 60 3.775 0.297 -8.249 1.00 0.00 C ATOM 942 O GLN A 60 3.173 0.383 -9.325 1.00 0.00 O ATOM 943 CB GLN A 60 6.145 -0.458 -8.789 1.00 0.00 C ATOM 944 CG GLN A 60 7.671 -0.211 -8.750 1.00 0.00 C ATOM 945 CD GLN A 60 8.078 1.184 -9.243 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.287 1.395 -10.435 1.00 0.00 O ATOM 947 NE2 GLN A 60 8.204 2.137 -8.323 1.00 0.00 N ATOM 0 H GLN A 60 6.328 0.246 -6.381 1.00 0.00 H new ATOM 0 HA GLN A 60 5.430 1.589 -8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.931 -1.393 -8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.841 -0.593 -9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.027 -0.345 -7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.169 -0.963 -9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.022 1.926 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.482 3.079 -8.599 1.00 0.00 H new ATOM 956 N LYS A 61 3.181 -0.113 -7.112 1.00 0.00 N ATOM 957 CA LYS A 61 1.734 -0.407 -7.024 1.00 0.00 C ATOM 958 C LYS A 61 0.913 0.896 -6.899 1.00 0.00 C ATOM 959 O LYS A 61 -0.300 0.883 -7.103 1.00 0.00 O ATOM 960 CB LYS A 61 1.435 -1.350 -5.826 1.00 0.00 C ATOM 961 CG LYS A 61 2.234 -2.669 -5.823 1.00 0.00 C ATOM 962 CD LYS A 61 1.981 -3.551 -7.067 1.00 0.00 C ATOM 963 CE LYS A 61 2.829 -4.836 -7.058 1.00 0.00 C ATOM 964 NZ LYS A 61 2.534 -5.696 -8.227 1.00 0.00 N ATOM 0 H LYS A 61 3.683 -0.249 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 61 1.439 -0.912 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.643 -0.814 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.371 -1.587 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.298 -2.439 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.978 -3.236 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.925 -3.816 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.204 -2.978 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.887 -4.574 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.638 -5.392 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.124 -6.551 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.530 -5.967 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.741 -5.174 -9.103 1.00 0.00 H new ATOM 978 N LEU A 62 1.593 2.022 -6.601 1.00 0.00 N ATOM 979 CA LEU A 62 0.936 3.314 -6.339 1.00 0.00 C ATOM 980 C LEU A 62 0.842 4.131 -7.634 1.00 0.00 C ATOM 981 O LEU A 62 1.765 4.864 -7.965 1.00 0.00 O ATOM 982 CB LEU A 62 1.721 4.103 -5.250 1.00 0.00 C ATOM 983 CG LEU A 62 1.964 3.347 -3.911 1.00 0.00 C ATOM 984 CD1 LEU A 62 2.782 4.206 -2.924 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.635 2.866 -3.291 1.00 0.00 C ATOM 0 H LEU A 62 2.610 2.059 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.074 3.130 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.687 4.392 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.179 5.023 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 62 2.556 2.459 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.935 3.651 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.748 4.448 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.241 5.128 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.838 2.342 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.006 3.725 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.133 2.191 -3.984 1.00 0.00 H new ATOM 997 N LYS A 63 -0.242 3.949 -8.397 1.00 0.00 N ATOM 998 CA LYS A 63 -0.542 4.790 -9.576 1.00 0.00 C ATOM 999 C LYS A 63 -1.293 6.040 -9.089 1.00 0.00 C ATOM 1000 O LYS A 63 -1.067 7.152 -9.578 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.370 3.970 -10.626 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.578 4.615 -12.035 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.617 5.772 -12.073 1.00 0.00 C ATOM 1004 CE LYS A 63 -2.883 6.314 -13.485 1.00 0.00 C ATOM 1005 NZ LYS A 63 -3.556 5.316 -14.353 1.00 0.00 N ATOM 0 H LYS A 63 -0.935 3.222 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 63 0.374 5.103 -10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.879 3.007 -10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.352 3.769 -10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.620 4.993 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.893 3.839 -12.732 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.556 5.420 -11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.264 6.587 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.501 7.209 -13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.939 6.612 -13.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.806 5.758 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.915 4.515 -14.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.419 4.975 -13.885 1.00 0.00 H new ATOM 1019 N ASN A 64 -2.162 5.844 -8.094 1.00 0.00 N ATOM 1020 CA ASN A 64 -3.027 6.899 -7.544 1.00 0.00 C ATOM 1021 C ASN A 64 -3.177 6.756 -6.011 1.00 0.00 C ATOM 1022 O ASN A 64 -2.665 5.809 -5.416 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.404 6.876 -8.260 1.00 0.00 C ATOM 1024 CG ASN A 64 -5.039 5.487 -8.286 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -5.673 5.061 -7.326 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.884 4.779 -9.393 1.00 0.00 N ATOM 0 H ASN A 64 -2.289 4.939 -7.640 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.562 7.868 -7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.080 7.569 -7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.282 7.233 -9.283 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.298 3.850 -9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.351 5.163 -10.173 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.860 7.740 -5.390 1.00 0.00 N ATOM 1034 CA VAL A 65 -4.115 7.797 -3.930 1.00 0.00 C ATOM 1035 C VAL A 65 -5.164 6.743 -3.506 1.00 0.00 C ATOM 1036 O VAL A 65 -5.269 6.389 -2.328 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.569 9.240 -3.482 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.750 9.341 -1.949 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.575 10.316 -3.984 1.00 0.00 C ATOM 0 H VAL A 65 -4.258 8.532 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.176 7.567 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.541 9.425 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.063 10.351 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.510 8.630 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.805 9.113 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.912 11.301 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.586 10.118 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.527 10.287 -5.073 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.918 6.228 -4.487 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.768 5.060 -4.278 1.00 0.00 C ATOM 1051 C GLY A 66 -5.926 3.818 -4.016 1.00 0.00 C ATOM 1052 O GLY A 66 -6.293 2.974 -3.202 1.00 0.00 O ATOM 0 H GLY A 66 -5.953 6.607 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.436 5.237 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.397 4.901 -5.154 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.763 3.731 -4.702 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.764 2.673 -4.465 1.00 0.00 C ATOM 1058 C ASP A 67 -3.063 2.886 -3.122 1.00 0.00 C ATOM 1059 O ASP A 67 -2.710 1.910 -2.469 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.709 2.607 -5.591 1.00 0.00 C ATOM 1061 CG ASP A 67 -3.285 2.187 -6.946 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.919 1.113 -7.017 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.083 2.897 -7.944 1.00 0.00 O ATOM 0 H ASP A 67 -4.495 4.391 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.303 1.726 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.237 3.584 -5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.927 1.904 -5.304 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.827 4.169 -2.732 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.358 4.513 -1.362 1.00 0.00 C ATOM 1070 C LEU A 68 -3.392 4.057 -0.326 1.00 0.00 C ATOM 1071 O LEU A 68 -3.025 3.565 0.731 1.00 0.00 O ATOM 1072 CB LEU A 68 -2.074 6.051 -1.175 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.645 6.576 -1.501 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.421 5.814 -0.687 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.367 6.563 -3.019 1.00 0.00 C ATOM 0 H LEU A 68 -2.953 4.976 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.413 3.990 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.781 6.599 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.296 6.308 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.587 7.620 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.411 6.199 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.232 5.951 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.374 4.752 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.640 6.936 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.453 5.544 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.091 7.200 -3.527 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.682 4.226 -0.655 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.792 3.856 0.235 1.00 0.00 C ATOM 1089 C ALA A 69 -5.733 2.353 0.556 1.00 0.00 C ATOM 1090 O ALA A 69 -5.794 1.957 1.723 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.137 4.245 -0.404 1.00 0.00 C ATOM 0 H ALA A 69 -4.984 4.623 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.699 4.403 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.952 3.966 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.161 5.321 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.253 3.724 -1.354 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.544 1.548 -0.505 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.373 0.090 -0.388 1.00 0.00 C ATOM 1099 C ASP A 70 -4.077 -0.247 0.371 1.00 0.00 C ATOM 1100 O ASP A 70 -4.118 -0.958 1.364 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.363 -0.585 -1.784 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.716 -0.500 -2.511 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.687 -1.148 -2.057 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -6.819 0.212 -3.532 1.00 0.00 O ATOM 0 H ASP A 70 -5.506 1.890 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.221 -0.299 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.597 -0.116 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.084 -1.633 -1.671 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.951 0.344 -0.076 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.579 -0.029 0.368 1.00 0.00 C ATOM 1111 C LEU A 71 -1.398 0.255 1.874 1.00 0.00 C ATOM 1112 O LEU A 71 -0.962 -0.623 2.629 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.491 0.742 -0.478 1.00 0.00 C ATOM 1114 CG LEU A 71 0.795 -0.049 -0.904 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.617 -0.533 0.296 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.444 -1.211 -1.850 1.00 0.00 C ATOM 0 H LEU A 71 -2.961 1.100 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.446 -1.098 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.971 1.114 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.175 1.613 0.096 1.00 0.00 H new ATOM 0 HG LEU A 71 1.428 0.652 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.495 -1.074 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.934 0.325 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.007 -1.194 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.355 -1.741 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.236 -1.898 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.036 -0.818 -2.746 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.715 1.500 2.281 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.669 1.940 3.687 1.00 0.00 C ATOM 1130 C VAL A 72 -2.650 1.114 4.556 1.00 0.00 C ATOM 1131 O VAL A 72 -2.320 0.787 5.690 1.00 0.00 O ATOM 1132 CB VAL A 72 -1.959 3.493 3.820 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -1.934 3.964 5.301 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -0.961 4.323 2.954 1.00 0.00 C ATOM 0 H VAL A 72 -2.012 2.233 1.637 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.658 1.764 4.056 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.967 3.667 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.137 5.034 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.695 3.426 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.952 3.763 5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.181 5.385 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.059 4.128 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.062 4.037 1.907 1.00 0.00 H new ATOM 1144 N ASP A 73 -3.827 0.736 3.998 1.00 0.00 N ATOM 1145 CA ASP A 73 -4.818 -0.123 4.717 1.00 0.00 C ATOM 1146 C ASP A 73 -4.292 -1.566 4.882 1.00 0.00 C ATOM 1147 O ASP A 73 -4.659 -2.261 5.830 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.184 -0.138 3.982 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.318 -0.804 4.791 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.920 -0.128 5.656 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.615 -2.004 4.571 1.00 0.00 O ATOM 0 H ASP A 73 -4.118 1.007 3.059 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.961 0.309 5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.471 0.887 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.070 -0.663 3.033 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.429 -1.996 3.952 1.00 0.00 N ATOM 1157 CA LYS A 74 -2.757 -3.309 4.033 1.00 0.00 C ATOM 1158 C LYS A 74 -1.665 -3.277 5.122 1.00 0.00 C ATOM 1159 O LYS A 74 -1.359 -4.304 5.736 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.165 -3.734 2.662 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.194 -3.917 1.525 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.295 -4.956 1.841 1.00 0.00 C ATOM 1163 CE LYS A 74 -3.769 -6.399 1.901 1.00 0.00 C ATOM 1164 NZ LYS A 74 -3.275 -6.868 0.578 1.00 0.00 N ATOM 0 H LYS A 74 -3.175 -1.452 3.127 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.502 -4.056 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.436 -2.985 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.624 -4.671 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.664 -2.956 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.670 -4.221 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.758 -4.705 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.074 -4.892 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.963 -6.461 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.564 -7.060 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.056 -7.883 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.007 -6.707 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.416 -6.341 0.322 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.101 -2.079 5.366 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.163 -1.843 6.478 1.00 0.00 C ATOM 1180 C LYS A 75 -0.930 -1.783 7.808 1.00 0.00 C ATOM 1181 O LYS A 75 -0.453 -2.262 8.840 1.00 0.00 O ATOM 1182 CB LYS A 75 0.630 -0.530 6.245 1.00 0.00 C ATOM 1183 CG LYS A 75 1.413 -0.490 4.918 1.00 0.00 C ATOM 1184 CD LYS A 75 2.405 -1.666 4.789 1.00 0.00 C ATOM 1185 CE LYS A 75 3.071 -1.735 3.415 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.977 -2.897 3.312 1.00 0.00 N ATOM 0 H LYS A 75 -1.282 -1.250 4.799 1.00 0.00 H new ATOM 0 HA LYS A 75 0.548 -2.668 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.065 0.310 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.328 -0.390 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.712 -0.515 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.958 0.452 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.174 -1.572 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.879 -2.601 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.306 -1.799 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.632 -0.818 3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.964 -2.569 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.818 -3.534 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.788 -3.407 2.426 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.146 -1.212 7.759 1.00 0.00 N ATOM 1201 CA LEU A 76 -3.067 -1.169 8.905 1.00 0.00 C ATOM 1202 C LEU A 76 -3.677 -2.568 9.145 1.00 0.00 C ATOM 1203 O LEU A 76 -4.179 -2.842 10.220 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.179 -0.098 8.682 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.686 1.373 8.471 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.867 2.340 8.219 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.783 1.846 9.642 1.00 0.00 C ATOM 0 H LEU A 76 -2.518 -0.766 6.920 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.508 -0.881 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.768 -0.391 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.849 -0.115 9.541 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.071 1.385 7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.485 3.351 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.409 2.028 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.540 2.323 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.460 2.871 9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.345 1.802 10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.910 1.197 9.713 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.645 -3.437 8.117 1.00 0.00 N ATOM 1220 CA ALA A 77 -3.981 -4.872 8.263 1.00 0.00 C ATOM 1221 C ALA A 77 -2.889 -5.584 9.075 1.00 0.00 C ATOM 1222 O ALA A 77 -3.179 -6.473 9.876 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.165 -5.535 6.887 1.00 0.00 C ATOM 0 H ALA A 77 -3.388 -3.170 7.167 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.926 -4.958 8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.411 -6.588 7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.973 -5.039 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.241 -5.448 6.315 1.00 0.00 H new ATOM 1229 N ARG A 78 -1.628 -5.162 8.853 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.462 -5.663 9.610 1.00 0.00 C ATOM 1231 C ARG A 78 -0.493 -5.181 11.082 1.00 0.00 C ATOM 1232 O ARG A 78 0.018 -5.865 11.969 1.00 0.00 O ATOM 1233 CB ARG A 78 0.865 -5.215 8.935 1.00 0.00 C ATOM 1234 CG ARG A 78 1.024 -5.654 7.463 1.00 0.00 C ATOM 1235 CD ARG A 78 1.023 -7.181 7.290 1.00 0.00 C ATOM 1236 NE ARG A 78 1.130 -7.565 5.876 1.00 0.00 N ATOM 1237 CZ ARG A 78 1.199 -8.818 5.408 1.00 0.00 C ATOM 1238 NH1 ARG A 78 1.188 -9.871 6.230 1.00 0.00 N ATOM 1239 NH2 ARG A 78 1.273 -8.999 4.100 1.00 0.00 N ATOM 0 H ARG A 78 -1.389 -4.466 8.146 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.514 -6.752 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.932 -4.128 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.701 -5.613 9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.214 -5.226 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.955 -5.249 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.854 -7.612 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.107 -7.595 7.712 1.00 0.00 H new ATOM 0 HE ARG A 78 1.154 -6.811 5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.126 -9.730 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.242 -10.816 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.277 -8.194 3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.327 -9.943 3.718 1.00 0.00 H new ATOM 1253 N LYS A 79 -1.084 -3.995 11.327 1.00 0.00 N ATOM 1254 CA LYS A 79 -1.161 -3.401 12.685 1.00 0.00 C ATOM 1255 C LYS A 79 -2.360 -3.966 13.459 1.00 0.00 C ATOM 1256 O LYS A 79 -2.221 -4.434 14.591 1.00 0.00 O ATOM 1257 CB LYS A 79 -1.232 -1.854 12.596 1.00 0.00 C ATOM 1258 CG LYS A 79 -0.029 -1.214 11.865 1.00 0.00 C ATOM 1259 CD LYS A 79 1.336 -1.720 12.401 1.00 0.00 C ATOM 1260 CE LYS A 79 2.528 -1.017 11.750 1.00 0.00 C ATOM 1261 NZ LYS A 79 2.565 0.418 12.102 1.00 0.00 N ATOM 0 H LYS A 79 -1.518 -3.424 10.602 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.256 -3.668 13.231 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.150 -1.571 12.081 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.292 -1.444 13.604 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.099 -1.431 10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.078 -0.130 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.376 -1.568 13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.414 -2.793 12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.454 -1.496 12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.470 -1.126 10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.550 0.752 12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.009 0.960 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.162 0.553 13.051 1.00 0.00 H new ATOM 1275 N LEU A 80 -3.529 -3.950 12.805 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.786 -4.515 13.344 1.00 0.00 C ATOM 1277 C LEU A 80 -4.788 -6.057 13.235 1.00 0.00 C ATOM 1278 O LEU A 80 -5.801 -6.698 13.521 1.00 0.00 O ATOM 1279 CB LEU A 80 -6.044 -3.888 12.647 1.00 0.00 C ATOM 1280 CG LEU A 80 -6.457 -2.435 13.070 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.825 -2.363 14.563 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -5.390 -1.386 12.699 1.00 0.00 C ATOM 0 H LEU A 80 -3.636 -3.541 11.877 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.842 -4.255 14.401 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.868 -3.888 11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.893 -4.546 12.831 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.350 -2.187 12.497 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.106 -1.342 14.820 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.663 -3.031 14.764 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.968 -2.666 15.164 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.726 -0.398 13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.453 -1.627 13.200 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.236 -1.390 11.620 1.00 0.00 H new ATOM 1294 N GLU A 81 -3.647 -6.639 12.808 1.00 0.00 N ATOM 1295 CA GLU A 81 -3.348 -8.064 13.004 1.00 0.00 C ATOM 1296 C GLU A 81 -3.401 -8.361 14.511 1.00 0.00 C ATOM 1297 O GLU A 81 -2.542 -7.908 15.270 1.00 0.00 O ATOM 1298 CB GLU A 81 -1.954 -8.409 12.380 1.00 0.00 C ATOM 1299 CG GLU A 81 -1.487 -9.893 12.475 1.00 0.00 C ATOM 1300 CD GLU A 81 -0.797 -10.271 13.810 1.00 0.00 C ATOM 1301 OE1 GLU A 81 0.391 -9.937 13.980 1.00 0.00 O ATOM 1302 OE2 GLU A 81 -1.440 -10.877 14.697 1.00 0.00 O ATOM 0 H GLU A 81 -2.911 -6.130 12.319 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.083 -8.691 12.499 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.974 -8.126 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.202 -7.785 12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.351 -10.541 12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.798 -10.096 11.655 1.00 0.00 H new ATOM 1309 N HIS A 82 -4.466 -9.047 14.928 1.00 0.00 N ATOM 1310 CA HIS A 82 -4.688 -9.474 16.310 1.00 0.00 C ATOM 1311 C HIS A 82 -4.969 -10.977 16.303 1.00 0.00 C ATOM 1312 O HIS A 82 -6.118 -11.412 16.182 1.00 0.00 O ATOM 1313 CB HIS A 82 -5.862 -8.681 16.947 1.00 0.00 C ATOM 1314 CG HIS A 82 -5.603 -7.211 17.172 1.00 0.00 C ATOM 1315 ND1 HIS A 82 -6.164 -6.217 16.402 1.00 0.00 N ATOM 1316 CD2 HIS A 82 -4.889 -6.573 18.125 1.00 0.00 C ATOM 1317 CE1 HIS A 82 -5.812 -5.042 16.875 1.00 0.00 C ATOM 1318 NE2 HIS A 82 -5.039 -5.232 17.919 1.00 0.00 N ATOM 0 H HIS A 82 -5.217 -9.328 14.298 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.804 -9.271 16.915 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.738 -8.784 16.307 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.111 -9.139 17.904 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -6.761 -6.369 15.589 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.307 -7.038 18.906 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.108 -4.084 16.473 1.00 0.00 H new ATOM 1327 N HIS A 83 -3.888 -11.762 16.307 1.00 0.00 N ATOM 1328 CA HIS A 83 -3.935 -13.230 16.404 1.00 0.00 C ATOM 1329 C HIS A 83 -3.646 -13.652 17.848 1.00 0.00 C ATOM 1330 O HIS A 83 -2.671 -13.191 18.451 1.00 0.00 O ATOM 1331 CB HIS A 83 -2.915 -13.883 15.434 1.00 0.00 C ATOM 1332 CG HIS A 83 -3.323 -13.852 13.984 1.00 0.00 C ATOM 1333 ND1 HIS A 83 -3.518 -14.993 13.246 1.00 0.00 N ATOM 1334 CD2 HIS A 83 -3.552 -12.820 13.137 1.00 0.00 C ATOM 1335 CE1 HIS A 83 -3.837 -14.672 12.012 1.00 0.00 C ATOM 1336 NE2 HIS A 83 -3.866 -13.356 11.914 1.00 0.00 N ATOM 0 H HIS A 83 -2.939 -11.393 16.242 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.930 -13.571 16.119 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -1.956 -13.375 15.539 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.761 -14.920 15.733 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -3.429 -15.945 13.601 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.497 -11.769 13.380 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.041 -15.368 11.212 1.00 0.00 H new ATOM 1345 N HIS A 84 -4.507 -14.530 18.375 1.00 0.00 N ATOM 1346 CA HIS A 84 -4.434 -15.030 19.753 1.00 0.00 C ATOM 1347 C HIS A 84 -5.440 -16.181 19.889 1.00 0.00 C ATOM 1348 O HIS A 84 -5.071 -17.299 20.258 1.00 0.00 O ATOM 1349 CB HIS A 84 -4.731 -13.898 20.778 1.00 0.00 C ATOM 1350 CG HIS A 84 -4.470 -14.268 22.212 1.00 0.00 C ATOM 1351 ND1 HIS A 84 -5.465 -14.636 23.091 1.00 0.00 N ATOM 1352 CD2 HIS A 84 -3.317 -14.307 22.920 1.00 0.00 C ATOM 1353 CE1 HIS A 84 -4.937 -14.876 24.277 1.00 0.00 C ATOM 1354 NE2 HIS A 84 -3.634 -14.684 24.203 1.00 0.00 N ATOM 0 H HIS A 84 -5.288 -14.920 17.847 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.427 -15.388 19.968 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -4.125 -13.028 20.525 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -5.774 -13.599 20.678 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.329 -14.083 22.545 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.481 -15.179 25.160 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -2.972 -14.797 24.971 1.00 0.00 H new ATOM 1363 N HIS A 85 -6.714 -15.892 19.548 1.00 0.00 N ATOM 1364 CA HIS A 85 -7.791 -16.901 19.541 1.00 0.00 C ATOM 1365 C HIS A 85 -7.518 -17.960 18.457 1.00 0.00 C ATOM 1366 O HIS A 85 -7.237 -17.593 17.310 1.00 0.00 O ATOM 1367 CB HIS A 85 -9.189 -16.235 19.350 1.00 0.00 C ATOM 1368 CG HIS A 85 -9.397 -15.461 18.053 1.00 0.00 C ATOM 1369 ND1 HIS A 85 -9.348 -14.084 17.976 1.00 0.00 N ATOM 1370 CD2 HIS A 85 -9.676 -15.881 16.791 1.00 0.00 C ATOM 1371 CE1 HIS A 85 -9.592 -13.698 16.733 1.00 0.00 C ATOM 1372 NE2 HIS A 85 -9.789 -14.771 15.998 1.00 0.00 N ATOM 0 H HIS A 85 -7.022 -14.960 19.272 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.804 -17.400 20.510 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.950 -17.013 19.410 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.361 -15.556 20.185 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -9.788 -16.906 16.471 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -9.624 -12.677 16.383 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -9.993 -14.775 14.999 1.00 0.00 H new ATOM 1381 N HIS A 86 -7.555 -19.259 18.862 1.00 0.00 N ATOM 1382 CA HIS A 86 -7.342 -20.434 17.981 1.00 0.00 C ATOM 1383 C HIS A 86 -5.881 -20.490 17.481 1.00 0.00 C ATOM 1384 O HIS A 86 -5.107 -21.376 17.867 1.00 0.00 O ATOM 1385 CB HIS A 86 -8.364 -20.447 16.809 1.00 0.00 C ATOM 1386 CG HIS A 86 -8.194 -21.573 15.830 1.00 0.00 C ATOM 1387 ND1 HIS A 86 -7.623 -21.398 14.589 1.00 0.00 N ATOM 1388 CD2 HIS A 86 -8.580 -22.867 15.885 1.00 0.00 C ATOM 1389 CE1 HIS A 86 -7.660 -22.532 13.928 1.00 0.00 C ATOM 1390 NE2 HIS A 86 -8.236 -23.442 14.686 1.00 0.00 N ATOM 0 H HIS A 86 -7.738 -19.520 19.831 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.517 -21.337 18.566 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -9.370 -20.496 17.225 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -8.288 -19.503 16.270 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -9.067 -23.357 16.715 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.281 -22.692 12.929 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -8.400 -24.414 14.425 1.00 0.00 H new ATOM 1399 N HIS A 87 -5.532 -19.531 16.616 1.00 0.00 N ATOM 1400 CA HIS A 87 -4.168 -19.263 16.181 1.00 0.00 C ATOM 1401 C HIS A 87 -4.079 -17.757 15.852 1.00 0.00 C ATOM 1402 O HIS A 87 -4.559 -17.340 14.779 1.00 0.00 O ATOM 1403 CB HIS A 87 -3.772 -20.167 14.975 1.00 0.00 C ATOM 1404 CG HIS A 87 -2.365 -19.959 14.481 1.00 0.00 C ATOM 1405 ND1 HIS A 87 -1.258 -20.277 15.233 1.00 0.00 N ATOM 1406 CD2 HIS A 87 -1.889 -19.454 13.315 1.00 0.00 C ATOM 1407 CE1 HIS A 87 -0.168 -19.978 14.560 1.00 0.00 C ATOM 1408 NE2 HIS A 87 -0.519 -19.479 13.392 1.00 0.00 N ATOM 1409 OXT HIS A 87 -3.562 -16.988 16.688 1.00 0.00 O ATOM 0 H HIS A 87 -6.215 -18.905 16.190 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.454 -19.505 16.968 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.893 -21.211 15.264 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.464 -19.981 14.154 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.478 -19.099 12.482 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.845 -20.118 14.907 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.122 -19.163 12.664 1.00 0.00 H new TER 1418 HIS A 87 HETATM 1419 P24 PNS A 88 9.781 12.891 -10.614 1.00 0.00 P HETATM 1420 O25 PNS A 88 11.166 12.384 -10.691 1.00 0.00 O HETATM 1421 O26 PNS A 88 9.434 14.332 -10.691 1.00 0.00 O HETATM 1422 O27 PNS A 88 8.701 11.914 -9.949 1.00 0.00 O HETATM 1423 C28 PNS A 88 7.333 11.934 -10.342 1.00 0.00 C HETATM 1424 C29 PNS A 88 6.604 10.627 -9.891 1.00 0.00 C HETATM 1425 C30 PNS A 88 5.137 10.649 -10.412 1.00 0.00 C HETATM 1426 C31 PNS A 88 6.561 10.596 -8.338 1.00 0.00 C HETATM 1427 C32 PNS A 88 7.369 9.358 -10.502 1.00 0.00 C HETATM 1428 O33 PNS A 88 8.603 9.092 -9.802 1.00 0.00 O HETATM 1429 C34 PNS A 88 6.495 8.089 -10.456 1.00 0.00 C HETATM 1430 O35 PNS A 88 6.077 7.584 -11.508 1.00 0.00 O HETATM 1431 N36 PNS A 88 6.249 7.573 -9.243 1.00 0.00 N HETATM 1432 C37 PNS A 88 5.417 6.383 -9.028 1.00 0.00 C HETATM 1433 C38 PNS A 88 3.932 6.709 -9.236 1.00 0.00 C HETATM 1434 C39 PNS A 88 3.396 7.819 -8.310 1.00 0.00 C HETATM 1435 O40 PNS A 88 4.156 8.647 -7.805 1.00 0.00 O HETATM 1436 N41 PNS A 88 2.072 7.846 -8.109 1.00 0.00 N HETATM 1437 C42 PNS A 88 1.415 8.848 -7.242 1.00 0.00 C HETATM 1438 C43 PNS A 88 0.052 8.367 -6.772 1.00 0.00 C HETATM 1439 S44 PNS A 88 -0.780 9.514 -5.672 1.00 0.00 S HETATM 0 H432 PNS A 88 -0.580 8.189 -7.642 1.00 0.00 H new HETATM 0 H431 PNS A 88 0.170 7.411 -6.263 1.00 0.00 H new HETATM 0 H422 PNS A 88 1.304 9.785 -7.787 1.00 0.00 H new HETATM 0 H421 PNS A 88 2.047 9.054 -6.378 1.00 0.00 H new HETATM 0 H382 PNS A 88 3.346 5.804 -9.077 1.00 0.00 H new HETATM 0 H381 PNS A 88 3.779 7.010 -10.272 1.00 0.00 H new HETATM 0 H372 PNS A 88 5.572 6.003 -8.018 1.00 0.00 H new HETATM 0 H371 PNS A 88 5.720 5.593 -9.716 1.00 0.00 H new HETATM 0 H313 PNS A 88 6.055 9.689 -8.006 1.00 0.00 H new HETATM 0 H312 PNS A 88 6.020 11.468 -7.972 1.00 0.00 H new HETATM 0 H311 PNS A 88 7.578 10.608 -7.946 1.00 0.00 H new HETATM 0 H303 PNS A 88 4.626 9.739 -10.099 1.00 0.00 H new HETATM 0 H302 PNS A 88 5.138 10.708 -11.500 1.00 0.00 H new HETATM 0 H301 PNS A 88 4.618 11.516 -10.002 1.00 0.00 H new HETATM 0 H282 PNS A 88 7.263 12.039 -11.425 1.00 0.00 H new HETATM 0 H281 PNS A 88 6.838 12.801 -9.905 1.00 0.00 H new HETATM 0 H44 PNS A 88 0.096 10.302 -5.123 1.00 0.00 H new HETATM 0 H41 PNS A 88 1.493 7.146 -8.573 1.00 0.00 H new HETATM 0 H36 PNS A 88 6.660 8.030 -8.429 1.00 0.00 H new HETATM 0 H33 PNS A 88 9.060 9.938 -9.612 1.00 0.00 H new HETATM 0 H32 PNS A 88 7.588 9.608 -11.540 1.00 0.00 H new