USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot -122:sc= -2.34! USER MOD Set 1.2: A 119 ASN : amide:sc= -0.679 K(o=-3,f=-4.9!) USER MOD Set 2.1: A 21 THR OG1 : rot -12:sc= 0.727! USER MOD Set 2.2: A 100 GLN : amide:sc= -0.62 K(o=0.11,f=-4.6!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -6.06! C(o=-8.6!,f=-6.1!) USER MOD Single : A 15 ASN : amide:sc= -1.04 X(o=-1,f=-0.58) USER MOD Single : A 16 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : A 31 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= -1.24 (180deg=-4.25!) USER MOD Single : A 42 MET CE :methyl 173:sc= -1.59 (180deg=-1.88) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 48 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.015) USER MOD Single : A 55 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.059) USER MOD Single : A 61 THR OG1 : rot 104:sc= 0.377 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -19.5! C(o=-21!,f=-20!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00647 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.168) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -1.59 F(o=-3.3!,f=-1.6) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.505 USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 0.166 (180deg=0.091) USER MOD Single : A 105 MET CE :methyl 151:sc= -0.978 (180deg=-2.4!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.99 USER MOD Single : A 111 ASN : amide:sc= -1.18 K(o=-1.2,f=-7.3!) USER MOD Single : A 125 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.272) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.547 -6.338 -2.768 1.00 0.00 N ATOM 21 CA LYS A 2 -20.503 -5.320 -2.753 1.00 0.00 C ATOM 22 C LYS A 2 -19.140 -5.943 -2.472 1.00 0.00 C ATOM 23 O LYS A 2 -18.930 -6.554 -1.425 1.00 0.00 O ATOM 24 CB LYS A 2 -20.816 -4.253 -1.702 1.00 0.00 C ATOM 25 CG LYS A 2 -20.382 -2.854 -2.107 1.00 0.00 C ATOM 26 CD LYS A 2 -21.423 -1.813 -1.727 1.00 0.00 C ATOM 27 CE LYS A 2 -22.284 -1.427 -2.919 1.00 0.00 C ATOM 28 NZ LYS A 2 -23.641 -0.976 -2.501 1.00 0.00 N ATOM 0 HA LYS A 2 -20.473 -4.852 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.889 -4.250 -1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.324 -4.521 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.434 -2.613 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.211 -2.823 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.056 -2.204 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.926 -0.926 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -21.793 -0.631 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.376 -2.280 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.197 -0.722 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -24.120 -1.744 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.555 -0.147 -1.879 1.00 0.00 H new ATOM 42 N LYS A 3 -18.216 -5.782 -3.414 1.00 0.00 N ATOM 43 CA LYS A 3 -16.872 -6.327 -3.268 1.00 0.00 C ATOM 44 C LYS A 3 -15.828 -5.346 -3.791 1.00 0.00 C ATOM 45 O LYS A 3 -15.984 -4.776 -4.871 1.00 0.00 O ATOM 46 CB LYS A 3 -16.755 -7.662 -4.007 1.00 0.00 C ATOM 47 CG LYS A 3 -16.890 -7.536 -5.517 1.00 0.00 C ATOM 48 CD LYS A 3 -17.660 -8.706 -6.107 1.00 0.00 C ATOM 49 CE LYS A 3 -16.723 -9.787 -6.623 1.00 0.00 C ATOM 50 NZ LYS A 3 -16.517 -9.689 -8.094 1.00 0.00 N ATOM 0 H LYS A 3 -18.374 -5.278 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.687 -6.493 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.791 -8.114 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.523 -8.341 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.399 -6.604 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.899 -7.486 -5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.321 -9.127 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.293 -8.353 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.762 -9.706 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.131 -10.768 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.872 -10.443 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.431 -9.792 -8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.104 -8.763 -8.326 1.00 0.00 H new ATOM 64 N LEU A 4 -14.768 -5.150 -3.015 1.00 0.00 N ATOM 65 CA LEU A 4 -13.703 -4.233 -3.399 1.00 0.00 C ATOM 66 C LEU A 4 -12.344 -4.732 -2.909 1.00 0.00 C ATOM 67 O LEU A 4 -12.144 -4.947 -1.714 1.00 0.00 O ATOM 68 CB LEU A 4 -13.990 -2.839 -2.837 1.00 0.00 C ATOM 69 CG LEU A 4 -14.035 -2.752 -1.310 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.689 -2.309 -0.764 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.134 -1.800 -0.862 1.00 0.00 C ATOM 0 H LEU A 4 -14.624 -5.613 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.669 -4.182 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.226 -2.153 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.945 -2.494 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.258 -3.743 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.738 -2.252 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.924 -3.028 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.438 -1.328 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.151 -1.751 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.942 -0.806 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.097 -2.160 -1.224 1.00 0.00 H new ATOM 83 N GLN A 5 -11.418 -4.927 -3.843 1.00 0.00 N ATOM 84 CA GLN A 5 -10.083 -5.413 -3.511 1.00 0.00 C ATOM 85 C GLN A 5 -9.048 -4.297 -3.527 1.00 0.00 C ATOM 86 O GLN A 5 -9.174 -3.321 -4.264 1.00 0.00 O ATOM 87 CB GLN A 5 -9.660 -6.503 -4.489 1.00 0.00 C ATOM 88 CG GLN A 5 -10.695 -7.596 -4.636 1.00 0.00 C ATOM 89 CD GLN A 5 -10.145 -8.842 -5.302 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.537 -9.691 -4.651 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.357 -8.958 -6.608 1.00 0.00 N ATOM 0 H GLN A 5 -11.568 -4.756 -4.837 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.132 -5.817 -2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.471 -6.055 -5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.721 -6.942 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.083 -7.857 -3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.535 -7.219 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.866 -8.230 -7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.011 -9.775 -7.110 1.00 0.00 H new ATOM 100 N ILE A 6 -8.016 -4.471 -2.713 1.00 0.00 N ATOM 101 CA ILE A 6 -6.929 -3.510 -2.617 1.00 0.00 C ATOM 102 C ILE A 6 -5.613 -4.227 -2.338 1.00 0.00 C ATOM 103 O ILE A 6 -5.515 -5.023 -1.405 1.00 0.00 O ATOM 104 CB ILE A 6 -7.186 -2.474 -1.504 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.379 -1.589 -1.869 1.00 0.00 C ATOM 106 CG2 ILE A 6 -5.944 -1.626 -1.263 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.644 -1.948 -1.121 1.00 0.00 C ATOM 0 H ILE A 6 -7.910 -5.281 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.871 -2.987 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.418 -3.007 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.127 -0.549 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.565 -1.666 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.146 -0.901 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.117 -2.269 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.679 -1.100 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.450 -1.281 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.920 -2.978 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.475 -1.844 -0.049 1.00 0.00 H new ATOM 119 N ALA A 7 -4.597 -3.928 -3.136 1.00 0.00 N ATOM 120 CA ALA A 7 -3.288 -4.534 -2.951 1.00 0.00 C ATOM 121 C ALA A 7 -2.235 -3.455 -2.814 1.00 0.00 C ATOM 122 O ALA A 7 -2.123 -2.588 -3.670 1.00 0.00 O ATOM 123 CB ALA A 7 -2.956 -5.454 -4.110 1.00 0.00 C ATOM 0 H ALA A 7 -4.655 -3.272 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.304 -5.130 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.973 -5.897 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.704 -6.244 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.952 -4.883 -5.038 1.00 0.00 H new ATOM 129 N VAL A 8 -1.465 -3.497 -1.745 1.00 0.00 N ATOM 130 CA VAL A 8 -0.440 -2.491 -1.541 1.00 0.00 C ATOM 131 C VAL A 8 0.857 -3.113 -1.051 1.00 0.00 C ATOM 132 O VAL A 8 0.873 -4.241 -0.567 1.00 0.00 O ATOM 133 CB VAL A 8 -0.911 -1.384 -0.561 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.389 -1.539 -0.229 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.077 -1.377 0.714 1.00 0.00 C ATOM 0 H VAL A 8 -1.527 -4.205 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.253 -2.027 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.770 -0.426 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.692 -0.750 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.977 -1.468 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.558 -2.510 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.434 -0.590 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.168 -2.342 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.968 -1.195 0.464 1.00 0.00 H new ATOM 145 N GLY A 9 1.940 -2.364 -1.183 1.00 0.00 N ATOM 146 CA GLY A 9 3.230 -2.848 -0.748 1.00 0.00 C ATOM 147 C GLY A 9 4.144 -1.723 -0.324 1.00 0.00 C ATOM 148 O GLY A 9 4.349 -0.764 -1.069 1.00 0.00 O ATOM 0 H GLY A 9 1.947 -1.427 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.096 -3.539 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.698 -3.410 -1.557 1.00 0.00 H new ATOM 152 N ILE A 10 4.701 -1.838 0.873 1.00 0.00 N ATOM 153 CA ILE A 10 5.604 -0.824 1.387 1.00 0.00 C ATOM 154 C ILE A 10 6.917 -0.872 0.620 1.00 0.00 C ATOM 155 O ILE A 10 7.676 -1.830 0.745 1.00 0.00 O ATOM 156 CB ILE A 10 5.888 -1.007 2.900 1.00 0.00 C ATOM 157 CG1 ILE A 10 5.505 -2.408 3.390 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.153 0.051 3.707 1.00 0.00 C ATOM 159 CD1 ILE A 10 6.004 -2.717 4.784 1.00 0.00 C ATOM 0 H ILE A 10 4.542 -2.623 1.504 1.00 0.00 H new ATOM 0 HA ILE A 10 5.120 0.143 1.253 1.00 0.00 H new ATOM 0 HB ILE A 10 6.962 -0.890 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.420 -2.507 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.905 -3.148 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.362 -0.090 4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.489 1.041 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.081 -0.039 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.697 -3.724 5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.092 -2.651 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.584 -1.999 5.488 1.00 0.00 H new ATOM 171 N ILE A 11 7.180 0.160 -0.183 1.00 0.00 N ATOM 172 CA ILE A 11 8.403 0.206 -0.978 1.00 0.00 C ATOM 173 C ILE A 11 9.616 0.435 -0.093 1.00 0.00 C ATOM 174 O ILE A 11 9.708 1.439 0.607 1.00 0.00 O ATOM 175 CB ILE A 11 8.366 1.304 -2.061 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.942 1.499 -2.597 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.320 0.941 -3.192 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.892 2.162 -3.957 1.00 0.00 C ATOM 0 H ILE A 11 6.567 0.967 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 11 8.477 -0.762 -1.474 1.00 0.00 H new ATOM 0 HB ILE A 11 8.684 2.246 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.449 0.529 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.375 2.101 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.292 1.718 -3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.333 0.854 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.019 -0.010 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.854 2.267 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.355 3.147 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.431 1.550 -4.680 1.00 0.00 H new ATOM 190 N ARG A 12 10.537 -0.518 -0.123 1.00 0.00 N ATOM 191 CA ARG A 12 11.747 -0.443 0.687 1.00 0.00 C ATOM 192 C ARG A 12 12.818 0.406 0.022 1.00 0.00 C ATOM 193 O ARG A 12 13.263 0.107 -1.089 1.00 0.00 O ATOM 194 CB ARG A 12 12.294 -1.843 0.960 1.00 0.00 C ATOM 195 CG ARG A 12 12.106 -2.292 2.398 1.00 0.00 C ATOM 196 CD ARG A 12 13.439 -2.495 3.102 1.00 0.00 C ATOM 197 NE ARG A 12 13.269 -2.768 4.527 1.00 0.00 N ATOM 198 CZ ARG A 12 14.230 -3.259 5.308 1.00 0.00 C ATOM 199 NH1 ARG A 12 15.428 -3.530 4.806 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.992 -3.477 6.593 1.00 0.00 N ATOM 0 H ARG A 12 10.470 -1.355 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 12 11.477 0.031 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.800 -2.554 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.356 -1.864 0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.519 -1.549 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.538 -3.222 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.973 -3.323 2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.056 -1.605 2.974 1.00 0.00 H new ATOM 0 HE ARG A 12 12.361 -2.571 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.617 -3.362 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.160 -3.906 5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.073 -3.269 6.984 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.728 -3.853 7.191 1.00 0.00 H new ATOM 214 N ASN A 13 13.229 1.459 0.728 1.00 0.00 N ATOM 215 CA ASN A 13 14.261 2.372 0.240 1.00 0.00 C ATOM 216 C ASN A 13 15.656 1.816 0.479 1.00 0.00 C ATOM 217 O ASN A 13 15.832 0.666 0.881 1.00 0.00 O ATOM 218 CB ASN A 13 14.139 3.740 0.902 1.00 0.00 C ATOM 219 CG ASN A 13 14.841 4.858 0.145 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.828 4.791 -1.183 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 15.390 5.777 0.752 1.00 0.00 N flip ATOM 0 H ASN A 13 12.859 1.702 1.647 1.00 0.00 H new ATOM 0 HA ASN A 13 14.109 2.480 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.083 3.991 1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.551 3.683 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.378 5.793 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.857 6.522 0.235 1.00 0.00 H new ATOM 228 N GLU A 14 16.640 2.654 0.204 1.00 0.00 N ATOM 229 CA GLU A 14 18.046 2.300 0.350 1.00 0.00 C ATOM 230 C GLU A 14 18.536 2.438 1.796 1.00 0.00 C ATOM 231 O GLU A 14 19.721 2.246 2.071 1.00 0.00 O ATOM 232 CB GLU A 14 18.884 3.194 -0.565 1.00 0.00 C ATOM 233 CG GLU A 14 20.383 2.970 -0.448 1.00 0.00 C ATOM 234 CD GLU A 14 21.132 3.368 -1.705 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.540 3.281 -2.802 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.311 3.765 -1.593 1.00 0.00 O ATOM 0 H GLU A 14 16.488 3.606 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 14 18.157 1.252 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.581 3.023 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.664 4.237 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.767 3.543 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.574 1.919 -0.233 1.00 0.00 H new ATOM 243 N ASN A 15 17.639 2.775 2.718 1.00 0.00 N ATOM 244 CA ASN A 15 18.024 2.937 4.118 1.00 0.00 C ATOM 245 C ASN A 15 16.968 2.359 5.056 1.00 0.00 C ATOM 246 O ASN A 15 16.511 3.030 5.981 1.00 0.00 O ATOM 247 CB ASN A 15 18.249 4.417 4.432 1.00 0.00 C ATOM 248 CG ASN A 15 18.726 4.641 5.854 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.855 4.296 6.205 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.866 5.223 6.682 1.00 0.00 N ATOM 0 H ASN A 15 16.651 2.940 2.525 1.00 0.00 H new ATOM 0 HA ASN A 15 18.952 2.388 4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.983 4.825 3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.320 4.965 4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.131 5.400 7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.940 5.493 6.349 1.00 0.00 H new ATOM 257 N ASN A 16 16.581 1.109 4.810 1.00 0.00 N ATOM 258 CA ASN A 16 15.572 0.433 5.632 1.00 0.00 C ATOM 259 C ASN A 16 14.363 1.337 5.878 1.00 0.00 C ATOM 260 O ASN A 16 13.632 1.165 6.853 1.00 0.00 O ATOM 261 CB ASN A 16 16.163 -0.029 6.974 1.00 0.00 C ATOM 262 CG ASN A 16 17.580 0.463 7.209 1.00 0.00 C ATOM 263 OD1 ASN A 16 18.513 0.059 6.515 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.747 1.340 8.192 1.00 0.00 N ATOM 0 H ASN A 16 16.950 0.541 4.048 1.00 0.00 H new ATOM 0 HA ASN A 16 15.242 -0.446 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.525 0.323 7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.153 -1.118 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.677 1.706 8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.945 1.648 8.742 1.00 0.00 H new ATOM 271 N GLU A 17 14.155 2.290 4.976 1.00 0.00 N ATOM 272 CA GLU A 17 13.033 3.210 5.075 1.00 0.00 C ATOM 273 C GLU A 17 12.120 3.015 3.878 1.00 0.00 C ATOM 274 O GLU A 17 12.587 2.720 2.783 1.00 0.00 O ATOM 275 CB GLU A 17 13.527 4.657 5.134 1.00 0.00 C ATOM 276 CG GLU A 17 14.413 5.046 3.962 1.00 0.00 C ATOM 277 CD GLU A 17 15.091 6.387 4.164 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.610 7.175 5.006 1.00 0.00 O ATOM 279 OE2 GLU A 17 16.101 6.651 3.478 1.00 0.00 O ATOM 0 H GLU A 17 14.754 2.444 4.165 1.00 0.00 H new ATOM 0 HA GLU A 17 12.481 3.003 5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.666 5.325 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.080 4.806 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.172 4.278 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.813 5.080 3.053 1.00 0.00 H new ATOM 286 N ILE A 18 10.822 3.153 4.083 1.00 0.00 N ATOM 287 CA ILE A 18 9.873 2.961 2.998 1.00 0.00 C ATOM 288 C ILE A 18 9.119 4.245 2.670 1.00 0.00 C ATOM 289 O ILE A 18 8.807 5.044 3.553 1.00 0.00 O ATOM 290 CB ILE A 18 8.873 1.838 3.342 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.552 0.472 3.239 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.645 1.895 2.442 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.167 -0.479 4.352 1.00 0.00 C ATOM 0 H ILE A 18 10.403 3.395 4.981 1.00 0.00 H new ATOM 0 HA ILE A 18 10.446 2.673 2.117 1.00 0.00 H new ATOM 0 HB ILE A 18 8.539 1.987 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.297 0.020 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.633 0.611 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.960 1.091 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.145 2.855 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.950 1.780 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.686 -1.428 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.447 -0.047 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.090 -0.648 4.330 1.00 0.00 H new ATOM 305 N PHE A 19 8.823 4.424 1.386 1.00 0.00 N ATOM 306 CA PHE A 19 8.098 5.594 0.918 1.00 0.00 C ATOM 307 C PHE A 19 6.593 5.331 0.940 1.00 0.00 C ATOM 308 O PHE A 19 6.080 4.532 0.156 1.00 0.00 O ATOM 309 CB PHE A 19 8.571 5.973 -0.498 1.00 0.00 C ATOM 310 CG PHE A 19 7.465 6.139 -1.506 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.811 7.351 -1.644 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.081 5.078 -2.310 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.794 7.505 -2.567 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.065 5.226 -3.235 1.00 0.00 C ATOM 315 CZ PHE A 19 5.420 6.441 -3.363 1.00 0.00 C ATOM 0 H PHE A 19 9.078 3.767 0.649 1.00 0.00 H new ATOM 0 HA PHE A 19 8.303 6.431 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.135 6.904 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.258 5.205 -0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.099 8.186 -1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.581 4.126 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.293 8.456 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.775 4.392 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.625 6.558 -4.084 1.00 0.00 H new ATOM 325 N ILE A 20 5.892 6.009 1.840 1.00 0.00 N ATOM 326 CA ILE A 20 4.450 5.854 1.956 1.00 0.00 C ATOM 327 C ILE A 20 3.749 7.146 1.558 1.00 0.00 C ATOM 328 O ILE A 20 4.236 8.238 1.850 1.00 0.00 O ATOM 329 CB ILE A 20 4.024 5.467 3.393 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.215 5.513 4.354 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.386 4.086 3.404 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.833 5.292 5.802 1.00 0.00 C ATOM 0 H ILE A 20 6.300 6.671 2.500 1.00 0.00 H new ATOM 0 HA ILE A 20 4.157 5.047 1.284 1.00 0.00 H new ATOM 0 HB ILE A 20 3.288 6.196 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.940 4.754 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.710 6.480 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.092 3.829 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.506 4.087 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.103 3.351 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.726 5.338 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.132 6.065 6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.366 4.313 5.910 1.00 0.00 H new ATOM 344 N THR A 21 2.607 7.022 0.895 1.00 0.00 N ATOM 345 CA THR A 21 1.855 8.194 0.467 1.00 0.00 C ATOM 346 C THR A 21 1.231 8.889 1.672 1.00 0.00 C ATOM 347 O THR A 21 0.361 8.330 2.338 1.00 0.00 O ATOM 348 CB THR A 21 0.767 7.807 -0.542 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.429 7.433 0.122 1.00 0.00 O ATOM 350 CG2 THR A 21 1.161 6.664 -1.454 1.00 0.00 C ATOM 0 H THR A 21 2.183 6.129 0.643 1.00 0.00 H new ATOM 0 HA THR A 21 2.545 8.882 -0.021 1.00 0.00 H new ATOM 0 HB THR A 21 0.620 8.698 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.251 7.324 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.342 6.447 -2.140 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.047 6.942 -2.024 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.378 5.779 -0.856 1.00 0.00 H new ATOM 358 N ARG A 22 1.684 10.107 1.947 1.00 0.00 N ATOM 359 CA ARG A 22 1.174 10.874 3.076 1.00 0.00 C ATOM 360 C ARG A 22 0.788 12.278 2.636 1.00 0.00 C ATOM 361 O ARG A 22 1.514 12.921 1.879 1.00 0.00 O ATOM 362 CB ARG A 22 2.222 10.944 4.189 1.00 0.00 C ATOM 363 CG ARG A 22 1.749 11.695 5.423 1.00 0.00 C ATOM 364 CD ARG A 22 2.678 11.466 6.605 1.00 0.00 C ATOM 365 NE ARG A 22 2.923 12.697 7.354 1.00 0.00 N ATOM 366 CZ ARG A 22 2.069 13.209 8.236 1.00 0.00 C ATOM 367 NH1 ARG A 22 0.914 12.605 8.482 1.00 0.00 N ATOM 368 NH2 ARG A 22 2.371 14.332 8.876 1.00 0.00 N ATOM 0 H ARG A 22 2.403 10.584 1.403 1.00 0.00 H new ATOM 0 HA ARG A 22 0.286 10.371 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.503 9.931 4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.119 11.427 3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.695 12.761 5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.741 11.371 5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.243 10.718 7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.626 11.063 6.249 1.00 0.00 H new ATOM 0 HE ARG A 22 3.800 13.192 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.676 11.742 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.264 13.004 9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.257 14.802 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.717 14.725 9.552 1.00 0.00 H new ATOM 493 N ASN A 31 -4.985 12.895 6.411 1.00 0.00 N ATOM 494 CA ASN A 31 -5.388 11.576 6.883 1.00 0.00 C ATOM 495 C ASN A 31 -5.361 10.554 5.750 1.00 0.00 C ATOM 496 O ASN A 31 -6.132 9.594 5.751 1.00 0.00 O ATOM 497 CB ASN A 31 -6.789 11.640 7.498 1.00 0.00 C ATOM 498 CG ASN A 31 -6.873 10.904 8.821 1.00 0.00 C ATOM 499 OD1 ASN A 31 -6.422 11.402 9.852 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.454 9.710 8.797 1.00 0.00 N ATOM 0 HA ASN A 31 -4.676 11.258 7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.070 12.683 7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.509 11.212 6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.540 9.167 9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.814 9.336 7.919 1.00 0.00 H new ATOM 507 N LYS A 32 -4.474 10.766 4.783 1.00 0.00 N ATOM 508 CA LYS A 32 -4.353 9.860 3.645 1.00 0.00 C ATOM 509 C LYS A 32 -3.009 9.146 3.644 1.00 0.00 C ATOM 510 O LYS A 32 -2.509 8.733 2.597 1.00 0.00 O ATOM 511 CB LYS A 32 -4.553 10.617 2.330 1.00 0.00 C ATOM 512 CG LYS A 32 -5.594 9.988 1.420 1.00 0.00 C ATOM 513 CD LYS A 32 -6.979 10.031 2.044 1.00 0.00 C ATOM 514 CE LYS A 32 -8.029 9.444 1.115 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.557 10.459 0.162 1.00 0.00 N ATOM 0 H LYS A 32 -3.829 11.556 4.764 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.134 9.106 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.848 11.643 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.602 10.667 1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.608 10.512 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.320 8.954 1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.973 9.478 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.239 11.062 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.597 8.613 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.851 9.039 1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.270 10.019 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.992 11.240 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.778 10.828 -0.420 1.00 0.00 H new ATOM 529 N LEU A 33 -2.432 9.008 4.825 1.00 0.00 N ATOM 530 CA LEU A 33 -1.142 8.344 4.977 1.00 0.00 C ATOM 531 C LEU A 33 -1.258 6.855 4.659 1.00 0.00 C ATOM 532 O LEU A 33 -1.274 6.018 5.562 1.00 0.00 O ATOM 533 CB LEU A 33 -0.612 8.537 6.399 1.00 0.00 C ATOM 534 CG LEU A 33 0.909 8.459 6.544 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.308 8.513 8.011 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.446 7.194 5.892 1.00 0.00 C ATOM 0 H LEU A 33 -2.836 9.347 5.698 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.442 8.793 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.946 9.507 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.061 7.781 7.043 1.00 0.00 H new ATOM 0 HG LEU A 33 1.346 9.318 6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.393 8.456 8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.958 9.448 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.859 7.673 8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.529 7.158 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.001 6.321 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.193 7.195 4.832 1.00 0.00 H new ATOM 548 N GLU A 34 -1.340 6.529 3.371 1.00 0.00 N ATOM 549 CA GLU A 34 -1.460 5.138 2.942 1.00 0.00 C ATOM 550 C GLU A 34 -0.282 4.720 2.067 1.00 0.00 C ATOM 551 O GLU A 34 0.716 5.432 1.968 1.00 0.00 O ATOM 552 CB GLU A 34 -2.774 4.928 2.186 1.00 0.00 C ATOM 553 CG GLU A 34 -3.975 5.572 2.861 1.00 0.00 C ATOM 554 CD GLU A 34 -4.597 6.672 2.022 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.888 7.234 1.161 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.792 6.970 2.226 1.00 0.00 O ATOM 0 H GLU A 34 -1.326 7.207 2.609 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.455 4.513 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.673 5.334 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.957 3.858 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.725 4.808 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.669 5.983 3.823 1.00 0.00 H new ATOM 563 N PHE A 35 -0.406 3.551 1.440 1.00 0.00 N ATOM 564 CA PHE A 35 0.650 3.025 0.579 1.00 0.00 C ATOM 565 C PHE A 35 0.159 2.837 -0.858 1.00 0.00 C ATOM 566 O PHE A 35 -1.038 2.911 -1.135 1.00 0.00 O ATOM 567 CB PHE A 35 1.183 1.692 1.115 1.00 0.00 C ATOM 568 CG PHE A 35 0.909 1.451 2.573 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.380 1.215 3.023 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.945 1.457 3.491 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.631 0.991 4.362 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.701 1.233 4.831 1.00 0.00 C ATOM 573 CZ PHE A 35 0.412 1.000 5.268 1.00 0.00 C ATOM 0 H PHE A 35 -1.228 2.951 1.513 1.00 0.00 H new ATOM 0 HA PHE A 35 1.457 3.758 0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.742 0.880 0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.260 1.653 0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.198 1.206 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.955 1.639 3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.640 0.809 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.518 1.240 5.537 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.220 0.825 6.316 1.00 0.00 H new ATOM 583 N PRO A 36 1.097 2.588 -1.791 1.00 0.00 N ATOM 584 CA PRO A 36 0.789 2.384 -3.210 1.00 0.00 C ATOM 585 C PRO A 36 0.236 0.988 -3.506 1.00 0.00 C ATOM 586 O PRO A 36 0.308 0.089 -2.673 1.00 0.00 O ATOM 587 CB PRO A 36 2.141 2.577 -3.890 1.00 0.00 C ATOM 588 CG PRO A 36 3.137 2.146 -2.873 1.00 0.00 C ATOM 589 CD PRO A 36 2.548 2.487 -1.530 1.00 0.00 C ATOM 0 HA PRO A 36 0.013 3.067 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.217 1.979 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.294 3.617 -4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.334 1.077 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.089 2.657 -3.021 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.768 1.717 -0.791 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.950 3.424 -1.144 1.00 0.00 H new ATOM 597 N GLY A 37 -0.309 0.828 -4.708 1.00 0.00 N ATOM 598 CA GLY A 37 -0.875 -0.445 -5.129 1.00 0.00 C ATOM 599 C GLY A 37 -2.393 -0.490 -5.065 1.00 0.00 C ATOM 600 O GLY A 37 -3.004 -1.457 -5.500 1.00 0.00 O ATOM 0 H GLY A 37 -0.370 1.567 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.557 -0.654 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.470 -1.238 -4.501 1.00 0.00 H new ATOM 604 N GLY A 38 -3.001 0.554 -4.545 1.00 0.00 N ATOM 605 CA GLY A 38 -4.447 0.612 -4.453 1.00 0.00 C ATOM 606 C GLY A 38 -5.139 0.556 -5.807 1.00 0.00 C ATOM 607 O GLY A 38 -4.632 1.104 -6.788 1.00 0.00 O ATOM 0 H GLY A 38 -2.519 1.375 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.799 -0.217 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.735 1.531 -3.943 1.00 0.00 H new ATOM 611 N LYS A 39 -6.314 -0.091 -5.846 1.00 0.00 N ATOM 612 CA LYS A 39 -7.118 -0.208 -7.064 1.00 0.00 C ATOM 613 C LYS A 39 -6.775 -1.442 -7.894 1.00 0.00 C ATOM 614 O LYS A 39 -7.256 -1.580 -9.019 1.00 0.00 O ATOM 615 CB LYS A 39 -7.001 1.041 -7.934 1.00 0.00 C ATOM 616 CG LYS A 39 -8.014 1.061 -9.064 1.00 0.00 C ATOM 617 CD LYS A 39 -8.752 2.395 -9.159 1.00 0.00 C ATOM 618 CE LYS A 39 -9.273 2.878 -7.806 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.639 1.752 -6.898 1.00 0.00 N ATOM 0 H LYS A 39 -6.730 -0.546 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.148 -0.316 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.137 1.926 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.995 1.096 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.506 0.862 -10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.737 0.259 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.082 3.147 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.588 2.295 -9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.512 3.494 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.145 3.513 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.452 2.029 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.889 0.916 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.831 1.525 -6.284 1.00 0.00 H new ATOM 633 N ILE A 40 -5.971 -2.350 -7.351 1.00 0.00 N ATOM 634 CA ILE A 40 -5.624 -3.565 -8.088 1.00 0.00 C ATOM 635 C ILE A 40 -6.883 -4.327 -8.457 1.00 0.00 C ATOM 636 O ILE A 40 -6.925 -5.063 -9.442 1.00 0.00 O ATOM 637 CB ILE A 40 -4.671 -4.491 -7.305 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.442 -5.416 -6.344 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.644 -3.658 -6.562 1.00 0.00 C ATOM 640 CD1 ILE A 40 -4.828 -6.794 -6.206 1.00 0.00 C ATOM 0 H ILE A 40 -5.554 -2.274 -6.423 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.098 -3.246 -8.988 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.153 -5.135 -8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.488 -4.948 -5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.468 -5.518 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.973 -4.316 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.069 -3.068 -7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.152 -2.991 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.423 -7.390 -5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.807 -7.282 -7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.811 -6.703 -5.824 1.00 0.00 H new ATOM 652 N GLU A 41 -7.905 -4.130 -7.633 1.00 0.00 N ATOM 653 CA GLU A 41 -9.200 -4.769 -7.810 1.00 0.00 C ATOM 654 C GLU A 41 -9.567 -4.877 -9.284 1.00 0.00 C ATOM 655 O GLU A 41 -9.435 -5.942 -9.883 1.00 0.00 O ATOM 656 CB GLU A 41 -10.275 -3.985 -7.049 1.00 0.00 C ATOM 657 CG GLU A 41 -10.037 -2.475 -7.001 1.00 0.00 C ATOM 658 CD GLU A 41 -11.159 -1.681 -7.644 1.00 0.00 C ATOM 659 OE1 GLU A 41 -11.854 -2.239 -8.520 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.343 -0.503 -7.272 1.00 0.00 O ATOM 0 H GLU A 41 -7.857 -3.518 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.140 -5.780 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.243 -4.174 -7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.331 -4.365 -6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.926 -2.162 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.099 -2.244 -7.506 1.00 0.00 H new ATOM 667 N MET A 42 -10.015 -3.762 -9.857 1.00 0.00 N ATOM 668 CA MET A 42 -10.397 -3.704 -11.270 1.00 0.00 C ATOM 669 C MET A 42 -11.062 -5.003 -11.737 1.00 0.00 C ATOM 670 O MET A 42 -12.286 -5.133 -11.691 1.00 0.00 O ATOM 671 CB MET A 42 -9.172 -3.397 -12.137 1.00 0.00 C ATOM 672 CG MET A 42 -8.647 -1.980 -11.965 1.00 0.00 C ATOM 673 SD MET A 42 -9.238 -0.860 -13.248 1.00 0.00 S ATOM 674 CE MET A 42 -11.002 -1.157 -13.169 1.00 0.00 C ATOM 0 H MET A 42 -10.124 -2.878 -9.361 1.00 0.00 H new ATOM 0 HA MET A 42 -11.128 -2.903 -11.379 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.378 -4.102 -11.893 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.429 -3.556 -13.184 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.950 -1.600 -10.989 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.557 -1.997 -11.976 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.520 -0.448 -13.816 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.215 -2.173 -13.500 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.347 -1.030 -12.143 1.00 0.00 H new ATOM 684 N GLY A 43 -10.252 -5.965 -12.185 1.00 0.00 N ATOM 685 CA GLY A 43 -10.792 -7.230 -12.646 1.00 0.00 C ATOM 686 C GLY A 43 -9.722 -8.201 -13.094 1.00 0.00 C ATOM 687 O GLY A 43 -9.931 -8.985 -14.020 1.00 0.00 O ATOM 0 H GLY A 43 -9.236 -5.888 -12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.374 -7.684 -11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.478 -7.046 -13.473 1.00 0.00 H new ATOM 691 N GLU A 44 -8.577 -8.146 -12.440 1.00 0.00 N ATOM 692 CA GLU A 44 -7.461 -9.027 -12.772 1.00 0.00 C ATOM 693 C GLU A 44 -7.496 -10.295 -11.921 1.00 0.00 C ATOM 694 O GLU A 44 -8.503 -10.588 -11.276 1.00 0.00 O ATOM 695 CB GLU A 44 -6.133 -8.293 -12.585 1.00 0.00 C ATOM 696 CG GLU A 44 -5.435 -7.954 -13.892 1.00 0.00 C ATOM 697 CD GLU A 44 -5.420 -6.465 -14.177 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.918 -5.702 -13.324 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.909 -6.062 -15.254 1.00 0.00 O ATOM 0 H GLU A 44 -8.390 -7.500 -11.673 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.555 -9.319 -13.818 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.311 -7.373 -12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.470 -8.909 -11.978 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.410 -8.324 -13.859 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.934 -8.472 -14.711 1.00 0.00 H new ATOM 706 N THR A 45 -6.395 -11.046 -11.917 1.00 0.00 N ATOM 707 CA THR A 45 -6.316 -12.274 -11.139 1.00 0.00 C ATOM 708 C THR A 45 -5.586 -12.020 -9.825 1.00 0.00 C ATOM 709 O THR A 45 -4.769 -11.109 -9.733 1.00 0.00 O ATOM 710 CB THR A 45 -5.592 -13.364 -11.940 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.335 -12.928 -13.264 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.369 -14.659 -12.030 1.00 0.00 C ATOM 0 H THR A 45 -5.550 -10.823 -12.443 1.00 0.00 H new ATOM 0 HA THR A 45 -7.329 -12.612 -10.919 1.00 0.00 H new ATOM 0 HB THR A 45 -4.666 -13.551 -11.397 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.871 -13.636 -13.758 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.800 -15.385 -12.610 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.542 -15.050 -11.027 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.326 -14.476 -12.518 1.00 0.00 H new ATOM 720 N PRO A 46 -5.858 -12.827 -8.788 1.00 0.00 N ATOM 721 CA PRO A 46 -5.211 -12.684 -7.485 1.00 0.00 C ATOM 722 C PRO A 46 -3.707 -12.445 -7.606 1.00 0.00 C ATOM 723 O PRO A 46 -3.086 -11.877 -6.707 1.00 0.00 O ATOM 724 CB PRO A 46 -5.494 -14.027 -6.786 1.00 0.00 C ATOM 725 CG PRO A 46 -6.174 -14.887 -7.805 1.00 0.00 C ATOM 726 CD PRO A 46 -6.802 -13.947 -8.790 1.00 0.00 C ATOM 0 HA PRO A 46 -5.591 -11.822 -6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.570 -14.489 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.127 -13.885 -5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.460 -15.547 -8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.927 -15.523 -7.339 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.899 -14.397 -9.778 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.801 -13.639 -8.480 1.00 0.00 H new ATOM 734 N GLU A 47 -3.124 -12.891 -8.717 1.00 0.00 N ATOM 735 CA GLU A 47 -1.694 -12.733 -8.945 1.00 0.00 C ATOM 736 C GLU A 47 -1.384 -11.528 -9.837 1.00 0.00 C ATOM 737 O GLU A 47 -0.527 -10.710 -9.502 1.00 0.00 O ATOM 738 CB GLU A 47 -1.119 -14.005 -9.573 1.00 0.00 C ATOM 739 CG GLU A 47 0.036 -14.603 -8.787 1.00 0.00 C ATOM 740 CD GLU A 47 -0.386 -15.788 -7.941 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.597 -15.914 -7.658 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.493 -16.589 -7.560 1.00 0.00 O ATOM 0 H GLU A 47 -3.622 -13.364 -9.471 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.227 -12.557 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.912 -14.748 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.781 -13.780 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.818 -14.915 -9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.468 -13.837 -8.143 1.00 0.00 H new ATOM 749 N GLN A 48 -2.067 -11.422 -10.978 1.00 0.00 N ATOM 750 CA GLN A 48 -1.830 -10.317 -11.903 1.00 0.00 C ATOM 751 C GLN A 48 -2.554 -9.048 -11.467 1.00 0.00 C ATOM 752 O GLN A 48 -2.334 -7.977 -12.034 1.00 0.00 O ATOM 753 CB GLN A 48 -2.268 -10.706 -13.316 1.00 0.00 C ATOM 754 CG GLN A 48 -1.613 -11.978 -13.827 1.00 0.00 C ATOM 755 CD GLN A 48 -0.324 -11.709 -14.580 1.00 0.00 C ATOM 756 OE1 GLN A 48 0.737 -12.215 -14.217 1.00 0.00 O ATOM 757 NE2 GLN A 48 -0.411 -10.906 -15.635 1.00 0.00 N ATOM 0 H GLN A 48 -2.783 -12.083 -11.280 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.760 -10.110 -11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.350 -10.834 -13.330 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.035 -9.888 -13.998 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.406 -12.639 -12.985 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.309 -12.503 -14.481 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.312 -10.508 -15.900 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.423 -10.687 -16.180 1.00 0.00 H new ATOM 766 N ALA A 49 -3.412 -9.163 -10.461 1.00 0.00 N ATOM 767 CA ALA A 49 -4.151 -8.014 -9.968 1.00 0.00 C ATOM 768 C ALA A 49 -3.200 -6.960 -9.436 1.00 0.00 C ATOM 769 O ALA A 49 -3.203 -5.818 -9.895 1.00 0.00 O ATOM 770 CB ALA A 49 -5.139 -8.437 -8.892 1.00 0.00 C ATOM 0 H ALA A 49 -3.611 -10.037 -9.974 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.712 -7.583 -10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.684 -7.563 -8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.843 -9.158 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.600 -8.893 -8.062 1.00 0.00 H new ATOM 776 N VAL A 50 -2.378 -7.350 -8.472 1.00 0.00 N ATOM 777 CA VAL A 50 -1.417 -6.426 -7.896 1.00 0.00 C ATOM 778 C VAL A 50 -0.202 -6.246 -8.793 1.00 0.00 C ATOM 779 O VAL A 50 0.241 -5.133 -9.016 1.00 0.00 O ATOM 780 CB VAL A 50 -0.936 -6.857 -6.492 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.705 -8.358 -6.413 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.330 -6.095 -6.119 1.00 0.00 C ATOM 0 H VAL A 50 -2.358 -8.290 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.950 -5.480 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.721 -6.614 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.368 -8.622 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.636 -8.881 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.054 -8.648 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.662 -6.405 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.112 -6.310 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.123 -5.025 -6.114 1.00 0.00 H new ATOM 792 N VAL A 51 0.351 -7.343 -9.289 1.00 0.00 N ATOM 793 CA VAL A 51 1.537 -7.270 -10.132 1.00 0.00 C ATOM 794 C VAL A 51 1.354 -6.268 -11.261 1.00 0.00 C ATOM 795 O VAL A 51 2.285 -5.544 -11.618 1.00 0.00 O ATOM 796 CB VAL A 51 1.899 -8.647 -10.725 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.168 -8.558 -11.561 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.058 -9.680 -9.619 1.00 0.00 C ATOM 0 H VAL A 51 0.002 -8.287 -9.125 1.00 0.00 H new ATOM 0 HA VAL A 51 2.354 -6.938 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 51 1.084 -8.963 -11.376 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.404 -9.541 -11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.017 -7.852 -12.378 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.993 -8.217 -10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.313 -10.645 -10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.852 -9.368 -8.941 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.123 -9.768 -9.066 1.00 0.00 H new ATOM 808 N ARG A 52 0.159 -6.230 -11.824 1.00 0.00 N ATOM 809 CA ARG A 52 -0.124 -5.312 -12.916 1.00 0.00 C ATOM 810 C ARG A 52 -0.379 -3.895 -12.413 1.00 0.00 C ATOM 811 O ARG A 52 0.236 -2.940 -12.888 1.00 0.00 O ATOM 812 CB ARG A 52 -1.318 -5.803 -13.737 1.00 0.00 C ATOM 813 CG ARG A 52 -1.035 -7.076 -14.519 1.00 0.00 C ATOM 814 CD ARG A 52 -2.221 -7.475 -15.381 1.00 0.00 C ATOM 815 NE ARG A 52 -2.178 -6.846 -16.699 1.00 0.00 N ATOM 816 CZ ARG A 52 -3.133 -6.979 -17.616 1.00 0.00 C ATOM 817 NH1 ARG A 52 -4.208 -7.716 -17.363 1.00 0.00 N ATOM 818 NH2 ARG A 52 -3.014 -6.373 -18.789 1.00 0.00 N ATOM 0 H ARG A 52 -0.626 -6.819 -11.547 1.00 0.00 H new ATOM 0 HA ARG A 52 0.759 -5.285 -13.554 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.161 -5.977 -13.069 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.618 -5.019 -14.432 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.158 -6.929 -15.150 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.798 -7.884 -13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.236 -8.559 -15.497 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.146 -7.196 -14.876 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.368 -6.271 -16.930 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.305 -8.184 -16.462 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.937 -7.814 -18.070 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.191 -5.805 -18.988 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.746 -6.475 -19.492 1.00 0.00 H new ATOM 832 N GLU A 53 -1.289 -3.763 -11.458 1.00 0.00 N ATOM 833 CA GLU A 53 -1.622 -2.457 -10.901 1.00 0.00 C ATOM 834 C GLU A 53 -0.469 -1.902 -10.068 1.00 0.00 C ATOM 835 O GLU A 53 -0.397 -0.700 -9.816 1.00 0.00 O ATOM 836 CB GLU A 53 -2.891 -2.551 -10.050 1.00 0.00 C ATOM 837 CG GLU A 53 -4.051 -1.740 -10.605 1.00 0.00 C ATOM 838 CD GLU A 53 -4.460 -0.602 -9.692 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.204 -0.695 -8.473 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.035 0.384 -10.197 1.00 0.00 O ATOM 0 H GLU A 53 -1.809 -4.541 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.800 -1.773 -11.731 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.192 -3.596 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.668 -2.208 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.774 -1.337 -11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.906 -2.398 -10.764 1.00 0.00 H new ATOM 847 N LEU A 54 0.426 -2.786 -9.641 1.00 0.00 N ATOM 848 CA LEU A 54 1.570 -2.387 -8.834 1.00 0.00 C ATOM 849 C LEU A 54 2.416 -1.365 -9.577 1.00 0.00 C ATOM 850 O LEU A 54 2.782 -0.339 -9.018 1.00 0.00 O ATOM 851 CB LEU A 54 2.411 -3.614 -8.476 1.00 0.00 C ATOM 852 CG LEU A 54 3.549 -3.343 -7.504 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.009 -3.118 -6.100 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.557 -4.484 -7.520 1.00 0.00 C ATOM 0 H LEU A 54 0.380 -3.785 -9.841 1.00 0.00 H new ATOM 0 HA LEU A 54 1.206 -1.928 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.757 -4.373 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.826 -4.033 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 54 4.062 -2.436 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.837 -2.926 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.335 -2.262 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.468 -4.005 -5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.362 -4.268 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.062 -5.411 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.970 -4.591 -8.523 1.00 0.00 H new ATOM 866 N GLN A 55 2.685 -1.629 -10.850 1.00 0.00 N ATOM 867 CA GLN A 55 3.461 -0.708 -11.673 1.00 0.00 C ATOM 868 C GLN A 55 2.686 0.586 -11.883 1.00 0.00 C ATOM 869 O GLN A 55 3.270 1.647 -12.090 1.00 0.00 O ATOM 870 CB GLN A 55 3.789 -1.357 -13.022 1.00 0.00 C ATOM 871 CG GLN A 55 5.268 -1.650 -13.212 1.00 0.00 C ATOM 872 CD GLN A 55 5.638 -3.067 -12.821 1.00 0.00 C ATOM 873 OE1 GLN A 55 6.547 -3.285 -12.020 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.933 -4.040 -13.386 1.00 0.00 N ATOM 0 H GLN A 55 2.378 -2.472 -11.335 1.00 0.00 H new ATOM 0 HA GLN A 55 4.395 -0.476 -11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.228 -2.287 -13.114 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.451 -0.700 -13.824 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.536 -1.483 -14.255 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.853 -0.949 -12.617 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.188 -3.814 -14.045 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.136 -5.014 -13.161 1.00 0.00 H new ATOM 883 N GLU A 56 1.365 0.490 -11.818 1.00 0.00 N ATOM 884 CA GLU A 56 0.509 1.653 -11.987 1.00 0.00 C ATOM 885 C GLU A 56 0.715 2.639 -10.848 1.00 0.00 C ATOM 886 O GLU A 56 0.444 3.830 -10.991 1.00 0.00 O ATOM 887 CB GLU A 56 -0.958 1.229 -12.025 1.00 0.00 C ATOM 888 CG GLU A 56 -1.848 2.175 -12.815 1.00 0.00 C ATOM 889 CD GLU A 56 -2.755 3.004 -11.925 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.069 2.548 -10.804 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.150 4.111 -12.349 1.00 0.00 O ATOM 0 H GLU A 56 0.864 -0.382 -11.649 1.00 0.00 H new ATOM 0 HA GLU A 56 0.774 2.134 -12.929 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.027 0.232 -12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.333 1.159 -11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.225 2.840 -13.412 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.457 1.598 -13.511 1.00 0.00 H new ATOM 898 N GLU A 57 1.175 2.134 -9.706 1.00 0.00 N ATOM 899 CA GLU A 57 1.388 2.979 -8.542 1.00 0.00 C ATOM 900 C GLU A 57 2.872 3.204 -8.234 1.00 0.00 C ATOM 901 O GLU A 57 3.211 3.840 -7.236 1.00 0.00 O ATOM 902 CB GLU A 57 0.667 2.401 -7.329 1.00 0.00 C ATOM 903 CG GLU A 57 -0.544 3.222 -6.914 1.00 0.00 C ATOM 904 CD GLU A 57 -1.849 2.464 -7.061 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.043 1.809 -8.107 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.679 2.527 -6.132 1.00 0.00 O ATOM 0 H GLU A 57 1.405 1.150 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 57 0.968 3.957 -8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.350 1.382 -7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.364 2.342 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.426 3.535 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.586 4.129 -7.518 1.00 0.00 H new ATOM 913 N VAL A 58 3.754 2.716 -9.106 1.00 0.00 N ATOM 914 CA VAL A 58 5.190 2.910 -8.928 1.00 0.00 C ATOM 915 C VAL A 58 5.805 3.357 -10.247 1.00 0.00 C ATOM 916 O VAL A 58 6.597 4.298 -10.296 1.00 0.00 O ATOM 917 CB VAL A 58 5.923 1.636 -8.434 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.811 1.960 -7.241 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.959 0.527 -8.067 1.00 0.00 C ATOM 0 H VAL A 58 3.499 2.186 -9.939 1.00 0.00 H new ATOM 0 HA VAL A 58 5.313 3.671 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 58 6.538 1.282 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.317 1.054 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.552 2.705 -7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.200 2.354 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.519 -0.344 -7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.299 0.868 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.364 0.258 -8.940 1.00 0.00 H new ATOM 929 N GLY A 59 5.395 2.691 -11.322 1.00 0.00 N ATOM 930 CA GLY A 59 5.860 3.028 -12.654 1.00 0.00 C ATOM 931 C GLY A 59 7.320 2.725 -12.925 1.00 0.00 C ATOM 932 O GLY A 59 7.681 2.352 -14.041 1.00 0.00 O ATOM 0 H GLY A 59 4.738 1.911 -11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.253 2.488 -13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.689 4.091 -12.823 1.00 0.00 H new ATOM 936 N ILE A 60 8.157 2.889 -11.923 1.00 0.00 N ATOM 937 CA ILE A 60 9.584 2.635 -12.079 1.00 0.00 C ATOM 938 C ILE A 60 9.877 1.143 -12.042 1.00 0.00 C ATOM 939 O ILE A 60 8.962 0.319 -12.035 1.00 0.00 O ATOM 940 CB ILE A 60 10.453 3.335 -11.001 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.611 3.909 -9.864 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.310 4.426 -11.628 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.007 2.843 -8.984 1.00 0.00 C ATOM 0 H ILE A 60 7.880 3.196 -10.991 1.00 0.00 H new ATOM 0 HA ILE A 60 9.850 3.053 -13.050 1.00 0.00 H new ATOM 0 HB ILE A 60 11.104 2.574 -10.571 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.232 4.567 -9.255 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.813 4.522 -10.283 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.912 4.905 -10.856 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.966 3.987 -12.379 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.666 5.169 -12.099 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.420 3.312 -8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.362 2.200 -9.582 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.802 2.245 -8.538 1.00 0.00 H new ATOM 955 N THR A 61 11.159 0.805 -12.026 1.00 0.00 N ATOM 956 CA THR A 61 11.592 -0.570 -11.993 1.00 0.00 C ATOM 957 C THR A 61 12.275 -0.880 -10.668 1.00 0.00 C ATOM 958 O THR A 61 13.486 -0.709 -10.533 1.00 0.00 O ATOM 959 CB THR A 61 12.568 -0.788 -13.133 1.00 0.00 C ATOM 960 OG1 THR A 61 13.286 0.403 -13.407 1.00 0.00 O ATOM 961 CG2 THR A 61 11.898 -1.222 -14.416 1.00 0.00 C ATOM 0 H THR A 61 11.922 1.482 -12.036 1.00 0.00 H new ATOM 0 HA THR A 61 10.730 -1.230 -12.097 1.00 0.00 H new ATOM 0 HB THR A 61 13.232 -1.586 -12.800 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.192 0.331 -13.040 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.652 -1.361 -15.191 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.370 -2.161 -14.251 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.188 -0.458 -14.732 1.00 0.00 H new ATOM 969 N PRO A 62 11.507 -1.302 -9.653 1.00 0.00 N ATOM 970 CA PRO A 62 12.023 -1.588 -8.334 1.00 0.00 C ATOM 971 C PRO A 62 12.056 -3.068 -7.997 1.00 0.00 C ATOM 972 O PRO A 62 11.177 -3.823 -8.411 1.00 0.00 O ATOM 973 CB PRO A 62 10.947 -0.915 -7.498 1.00 0.00 C ATOM 974 CG PRO A 62 9.677 -1.271 -8.208 1.00 0.00 C ATOM 975 CD PRO A 62 10.046 -1.484 -9.662 1.00 0.00 C ATOM 0 HA PRO A 62 13.053 -1.258 -8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.949 -1.281 -6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.092 0.164 -7.452 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.234 -2.172 -7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.939 -0.475 -8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.763 -2.477 -10.010 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.552 -0.765 -10.315 1.00 0.00 H new ATOM 983 N GLN A 63 13.019 -3.471 -7.173 1.00 0.00 N ATOM 984 CA GLN A 63 13.075 -4.826 -6.722 1.00 0.00 C ATOM 985 C GLN A 63 12.012 -4.912 -5.635 1.00 0.00 C ATOM 986 O GLN A 63 12.280 -4.746 -4.445 1.00 0.00 O ATOM 987 CB GLN A 63 14.489 -5.146 -6.217 1.00 0.00 C ATOM 988 CG GLN A 63 14.517 -5.952 -4.944 1.00 0.00 C ATOM 989 CD GLN A 63 15.518 -7.089 -4.982 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.174 -8.224 -5.313 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.767 -6.791 -4.641 1.00 0.00 N ATOM 0 H GLN A 63 13.760 -2.869 -6.815 1.00 0.00 H new ATOM 0 HA GLN A 63 12.878 -5.560 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.026 -5.692 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.026 -4.211 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.756 -5.293 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.523 -6.357 -4.756 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.009 -5.837 -4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.484 -7.516 -4.647 1.00 0.00 H new ATOM 1000 N HIS A 64 10.784 -5.069 -6.089 1.00 0.00 N ATOM 1001 CA HIS A 64 9.628 -5.075 -5.214 1.00 0.00 C ATOM 1002 C HIS A 64 8.799 -6.333 -5.412 1.00 0.00 C ATOM 1003 O HIS A 64 8.540 -6.745 -6.543 1.00 0.00 O ATOM 1004 CB HIS A 64 8.816 -3.814 -5.538 1.00 0.00 C ATOM 1005 CG HIS A 64 7.387 -3.791 -5.055 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.450 -4.769 -4.950 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.759 -2.630 -4.655 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 5.295 -4.184 -4.495 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.507 -2.894 -4.326 1.00 0.00 N flip ATOM 0 H HIS A 64 10.559 -5.196 -7.076 1.00 0.00 H new ATOM 0 HA HIS A 64 9.935 -5.073 -4.168 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.334 -2.955 -5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.813 -3.679 -6.620 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.220 -1.654 -4.617 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.364 -4.697 -4.306 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.821 -2.215 -3.997 1.00 0.00 H new ATOM 1018 N PHE A 65 8.390 -6.942 -4.304 1.00 0.00 N ATOM 1019 CA PHE A 65 7.598 -8.159 -4.354 1.00 0.00 C ATOM 1020 C PHE A 65 7.268 -8.649 -2.937 1.00 0.00 C ATOM 1021 O PHE A 65 7.026 -7.847 -2.038 1.00 0.00 O ATOM 1022 CB PHE A 65 8.382 -9.220 -5.124 1.00 0.00 C ATOM 1023 CG PHE A 65 7.516 -10.195 -5.872 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.479 -9.747 -6.675 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.739 -11.559 -5.773 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.682 -10.640 -7.365 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.945 -12.458 -6.460 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.916 -11.997 -7.256 1.00 0.00 C ATOM 0 H PHE A 65 8.596 -6.610 -3.362 1.00 0.00 H new ATOM 0 HA PHE A 65 6.654 -7.962 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.048 -8.724 -5.831 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.012 -9.771 -4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.292 -8.687 -6.762 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.543 -11.924 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.878 -10.278 -7.988 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.129 -13.519 -6.374 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.294 -12.697 -7.794 1.00 0.00 H new ATOM 1038 N SER A 66 7.268 -9.968 -2.752 1.00 0.00 N ATOM 1039 CA SER A 66 6.989 -10.590 -1.459 1.00 0.00 C ATOM 1040 C SER A 66 5.704 -10.060 -0.838 1.00 0.00 C ATOM 1041 O SER A 66 5.069 -9.150 -1.369 1.00 0.00 O ATOM 1042 CB SER A 66 8.159 -10.366 -0.502 1.00 0.00 C ATOM 1043 OG SER A 66 8.181 -11.350 0.518 1.00 0.00 O ATOM 0 H SER A 66 7.462 -10.637 -3.497 1.00 0.00 H new ATOM 0 HA SER A 66 6.858 -11.658 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.097 -10.392 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.082 -9.375 -0.054 1.00 0.00 H new ATOM 0 HG SER A 66 8.940 -11.185 1.116 1.00 0.00 H new ATOM 1049 N LEU A 67 5.331 -10.634 0.303 1.00 0.00 N ATOM 1050 CA LEU A 67 4.129 -10.216 1.010 1.00 0.00 C ATOM 1051 C LEU A 67 4.348 -10.234 2.520 1.00 0.00 C ATOM 1052 O LEU A 67 4.736 -11.252 3.091 1.00 0.00 O ATOM 1053 CB LEU A 67 2.940 -11.104 0.621 1.00 0.00 C ATOM 1054 CG LEU A 67 2.683 -12.307 1.532 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.855 -11.897 2.740 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.986 -13.415 0.758 1.00 0.00 C ATOM 0 H LEU A 67 5.845 -11.390 0.756 1.00 0.00 H new ATOM 0 HA LEU A 67 3.902 -9.191 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.041 -10.488 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.099 -11.468 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 67 3.642 -12.683 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.683 -12.766 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.390 -11.134 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.898 -11.497 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.809 -14.264 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.033 -13.048 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.615 -13.728 -0.075 1.00 0.00 H new ATOM 1068 N PHE A 68 4.094 -9.098 3.160 1.00 0.00 N ATOM 1069 CA PHE A 68 4.260 -8.983 4.601 1.00 0.00 C ATOM 1070 C PHE A 68 3.087 -9.652 5.317 1.00 0.00 C ATOM 1071 O PHE A 68 3.278 -10.487 6.200 1.00 0.00 O ATOM 1072 CB PHE A 68 4.394 -7.502 4.995 1.00 0.00 C ATOM 1073 CG PHE A 68 3.431 -7.026 6.053 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.167 -6.576 5.706 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.798 -7.016 7.388 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.286 -6.126 6.672 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.923 -6.565 8.358 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.665 -6.119 7.999 1.00 0.00 C ATOM 0 H PHE A 68 3.773 -8.245 2.702 1.00 0.00 H new ATOM 0 HA PHE A 68 5.172 -9.495 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.411 -7.328 5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.257 -6.892 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.867 -6.577 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.779 -7.365 7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.303 -5.781 6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.222 -6.561 9.396 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.980 -5.766 8.755 1.00 0.00 H new ATOM 1088 N GLU A 69 1.877 -9.282 4.915 1.00 0.00 N ATOM 1089 CA GLU A 69 0.665 -9.846 5.495 1.00 0.00 C ATOM 1090 C GLU A 69 -0.561 -9.393 4.707 1.00 0.00 C ATOM 1091 O GLU A 69 -0.721 -8.209 4.425 1.00 0.00 O ATOM 1092 CB GLU A 69 0.533 -9.432 6.962 1.00 0.00 C ATOM 1093 CG GLU A 69 0.962 -10.514 7.939 1.00 0.00 C ATOM 1094 CD GLU A 69 0.153 -10.498 9.221 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -1.082 -10.671 9.146 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.752 -10.312 10.300 1.00 0.00 O ATOM 0 H GLU A 69 1.709 -8.590 4.185 1.00 0.00 H new ATOM 0 HA GLU A 69 0.731 -10.933 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.134 -8.539 7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.504 -9.162 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.861 -11.489 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.017 -10.384 8.178 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.427 -10.335 4.357 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.634 -10.008 3.604 1.00 0.00 C ATOM 1105 C LYS A 70 -3.875 -10.179 4.476 1.00 0.00 C ATOM 1106 O LYS A 70 -4.155 -11.273 4.966 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.749 -10.886 2.351 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.123 -12.264 2.497 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.928 -13.150 3.433 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.790 -14.619 3.067 1.00 0.00 C ATOM 1111 NZ LYS A 70 -1.365 -15.017 2.898 1.00 0.00 N ATOM 0 H LYS A 70 -1.319 -11.325 4.580 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.564 -8.966 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.803 -11.003 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.276 -10.371 1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.053 -12.738 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.106 -12.164 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.593 -12.997 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.978 -12.862 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.248 -15.231 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.334 -14.816 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.293 -16.054 2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.001 -14.634 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.803 -14.641 3.688 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.614 -9.092 4.668 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.818 -9.122 5.481 1.00 0.00 C ATOM 1127 C LEU A 71 -7.064 -9.217 4.604 1.00 0.00 C ATOM 1128 O LEU A 71 -7.283 -8.377 3.732 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.886 -7.869 6.355 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.175 -7.724 7.160 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.895 -7.836 8.651 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.864 -6.404 6.844 1.00 0.00 C ATOM 0 H LEU A 71 -4.397 -8.178 4.269 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.782 -10.005 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.042 -7.877 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.770 -6.992 5.719 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.844 -8.536 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.827 -7.730 9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.454 -8.809 8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.203 -7.049 8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.780 -6.323 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.199 -5.577 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.107 -6.365 5.782 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.876 -10.242 4.842 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.096 -10.441 4.075 1.00 0.00 C ATOM 1146 C GLU A 72 -10.315 -10.478 4.995 1.00 0.00 C ATOM 1147 O GLU A 72 -10.511 -11.432 5.747 1.00 0.00 O ATOM 1148 CB GLU A 72 -8.996 -11.739 3.265 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.336 -12.288 2.807 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.206 -13.270 1.660 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.729 -14.400 1.898 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -10.579 -12.909 0.524 1.00 0.00 O ATOM 0 H GLU A 72 -7.709 -10.947 5.560 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.217 -9.603 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.370 -11.562 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.493 -12.494 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.828 -12.779 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.977 -11.461 2.501 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.133 -9.433 4.923 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.339 -9.342 5.739 1.00 0.00 C ATOM 1161 C TYR A 73 -13.481 -8.726 4.937 1.00 0.00 C ATOM 1162 O TYR A 73 -13.282 -7.757 4.206 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.072 -8.515 6.998 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.773 -7.056 6.723 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.690 -6.684 5.937 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.574 -6.053 7.254 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.414 -5.353 5.687 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.305 -4.720 7.007 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.223 -4.376 6.224 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.952 -3.050 5.977 1.00 0.00 O ATOM 0 H TYR A 73 -10.982 -8.635 4.306 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.627 -10.350 6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.940 -8.580 7.654 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.231 -8.953 7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.053 -7.447 5.514 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.420 -6.319 7.870 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.568 -5.080 5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.939 -3.952 7.425 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.819 -2.580 6.826 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.676 -9.290 5.075 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.837 -8.781 4.352 1.00 0.00 C ATOM 1182 C GLU A 74 -16.946 -8.358 5.306 1.00 0.00 C ATOM 1183 O GLU A 74 -17.407 -9.143 6.135 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.374 -9.825 3.369 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.370 -11.243 3.911 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.307 -12.287 2.813 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.365 -12.599 2.229 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -15.199 -12.794 2.539 1.00 0.00 O ATOM 0 H GLU A 74 -14.866 -10.093 5.675 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.507 -7.905 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.393 -9.556 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.776 -9.793 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.517 -11.371 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.268 -11.402 4.508 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.379 -7.115 5.161 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.446 -6.566 5.976 1.00 0.00 C ATOM 1197 C PHE A 75 -19.781 -7.184 5.569 1.00 0.00 C ATOM 1198 O PHE A 75 -19.894 -7.774 4.494 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.492 -5.045 5.819 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.826 -4.300 6.940 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.444 -4.267 7.042 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -18.580 -3.629 7.890 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.827 -3.582 8.072 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.968 -2.941 8.922 1.00 0.00 C ATOM 1205 CZ PHE A 75 -16.590 -2.918 9.013 1.00 0.00 C ATOM 0 H PHE A 75 -17.000 -6.461 4.476 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.256 -6.803 7.023 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -18.014 -4.771 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.532 -4.727 5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.842 -4.783 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -19.658 -3.644 7.824 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.749 -3.566 8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -18.567 -2.422 9.656 1.00 0.00 H new ATOM 0 HZ PHE A 75 -16.110 -2.382 9.818 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.813 -7.060 6.420 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.150 -7.603 6.154 1.00 0.00 C ATOM 1217 C PRO A 76 -22.577 -7.446 4.700 1.00 0.00 C ATOM 1218 O PRO A 76 -23.367 -8.234 4.182 1.00 0.00 O ATOM 1219 CB PRO A 76 -23.062 -6.780 7.084 1.00 0.00 C ATOM 1220 CG PRO A 76 -22.165 -5.794 7.771 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.783 -6.372 7.708 1.00 0.00 C ATOM 0 HA PRO A 76 -22.192 -8.677 6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.841 -6.270 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.564 -7.422 7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -22.204 -4.823 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.476 -5.639 8.804 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -20.014 -5.600 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.586 -7.056 8.534 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.045 -6.426 4.054 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.356 -6.150 2.655 1.00 0.00 C ATOM 1231 C ASP A 77 -21.109 -5.715 1.887 1.00 0.00 C ATOM 1232 O ASP A 77 -20.936 -6.059 0.718 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.432 -5.068 2.556 1.00 0.00 C ATOM 1234 CG ASP A 77 -23.023 -3.781 3.244 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -22.191 -3.043 2.675 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -23.536 -3.510 4.350 1.00 0.00 O ATOM 0 H ASP A 77 -21.390 -5.767 4.475 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.729 -7.071 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.643 -4.864 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.356 -5.437 3.001 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.247 -4.949 2.550 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.020 -4.455 1.932 1.00 0.00 C ATOM 1243 C ARG A 78 -17.884 -5.472 2.051 1.00 0.00 C ATOM 1244 O ARG A 78 -17.279 -5.617 3.110 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.608 -3.137 2.591 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.672 -2.293 1.741 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.406 -0.938 2.378 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.910 -1.058 3.748 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.424 -0.039 4.454 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.358 1.175 3.920 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.001 -0.232 5.697 1.00 0.00 N ATOM 0 H ARG A 78 -20.376 -4.656 3.518 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.215 -4.293 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.504 -2.557 2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.123 -3.353 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.729 -2.822 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.106 -2.151 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -16.678 -0.393 1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.325 -0.351 2.376 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.938 -1.977 4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.680 1.330 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.985 1.952 4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.048 -1.162 6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.629 0.550 6.236 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.591 -6.167 0.956 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.519 -7.157 0.948 1.00 0.00 C ATOM 1267 C HIS A 79 -15.203 -6.513 0.525 1.00 0.00 C ATOM 1268 O HIS A 79 -14.958 -6.299 -0.662 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.874 -8.313 0.005 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.790 -9.339 -0.140 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.541 -9.395 0.383 1.00 0.00 N flip ATOM 1272 CD2 HIS A 79 -15.933 -10.478 -0.905 1.00 0.00 C flip ATOM 1273 CE1 HIS A 79 -13.961 -10.555 -0.071 1.00 0.00 C flip ATOM 1274 NE2 HIS A 79 -14.822 -11.190 -0.845 1.00 0.00 N flip ATOM 0 H HIS A 79 -18.079 -6.064 0.066 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.402 -7.552 1.957 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.776 -8.803 0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -17.109 -7.906 -0.979 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.816 -10.746 -1.466 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.963 -10.893 0.167 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.657 -12.079 -1.317 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.359 -6.203 1.505 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.076 -5.583 1.237 1.00 0.00 C ATOM 1285 C ILE A 80 -11.943 -6.601 1.315 1.00 0.00 C ATOM 1286 O ILE A 80 -11.979 -7.532 2.120 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.791 -4.433 2.228 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.352 -3.947 2.074 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.044 -4.888 3.658 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.017 -2.748 2.931 1.00 0.00 C ATOM 0 H ILE A 80 -14.546 -6.374 2.493 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.125 -5.179 0.226 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.465 -3.607 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.674 -4.763 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.173 -3.696 1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.838 -4.066 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.084 -5.196 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.391 -5.728 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.978 -2.462 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.669 -1.916 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.162 -3.000 3.982 1.00 0.00 H new ATOM 1302 N THR A 81 -10.931 -6.404 0.481 1.00 0.00 N ATOM 1303 CA THR A 81 -9.771 -7.283 0.453 1.00 0.00 C ATOM 1304 C THR A 81 -8.495 -6.449 0.417 1.00 0.00 C ATOM 1305 O THR A 81 -8.282 -5.674 -0.513 1.00 0.00 O ATOM 1306 CB THR A 81 -9.830 -8.209 -0.764 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.125 -8.202 -1.339 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.481 -9.645 -0.441 1.00 0.00 C ATOM 0 H THR A 81 -10.891 -5.637 -0.190 1.00 0.00 H new ATOM 0 HA THR A 81 -9.773 -7.897 1.353 1.00 0.00 H new ATOM 0 HB THR A 81 -9.087 -7.818 -1.459 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.302 -9.070 -1.757 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.542 -10.247 -1.348 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.468 -9.692 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.181 -10.032 0.300 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.654 -6.595 1.435 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.415 -5.828 1.496 1.00 0.00 C ATOM 1318 C LEU A 82 -5.191 -6.735 1.554 1.00 0.00 C ATOM 1319 O LEU A 82 -4.976 -7.447 2.534 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.430 -4.903 2.714 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.061 -3.529 2.478 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.284 -2.810 3.799 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.187 -2.694 1.556 1.00 0.00 C ATOM 0 H LEU A 82 -7.804 -7.229 2.220 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.350 -5.234 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.969 -5.399 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.405 -4.761 3.056 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.029 -3.672 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.733 -1.835 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.950 -3.401 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.329 -2.678 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.650 -1.720 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.205 -2.560 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.078 -3.203 0.598 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.382 -6.684 0.501 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.163 -7.480 0.431 1.00 0.00 C ATOM 1337 C TRP A 83 -1.951 -6.575 0.555 1.00 0.00 C ATOM 1338 O TRP A 83 -1.771 -5.651 -0.239 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.091 -8.253 -0.889 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.185 -9.259 -1.053 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.466 -9.145 -0.608 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.097 -10.528 -1.709 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.186 -10.263 -0.945 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.367 -11.129 -1.622 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.069 -11.215 -2.361 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.636 -12.385 -2.162 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.337 -12.461 -2.897 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.611 -13.035 -2.795 1.00 0.00 C ATOM 0 H TRP A 83 -4.549 -6.098 -0.317 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.173 -8.196 1.253 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.132 -7.546 -1.717 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.129 -8.761 -0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.859 -8.297 -0.067 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.170 -10.424 -0.727 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.084 -10.781 -2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.617 -12.829 -2.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.551 -13.001 -3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.788 -14.010 -3.224 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.119 -6.838 1.551 1.00 0.00 N ATOM 1360 CA PHE A 84 0.079 -6.031 1.764 1.00 0.00 C ATOM 1361 C PHE A 84 1.335 -6.805 1.365 1.00 0.00 C ATOM 1362 O PHE A 84 1.674 -7.816 1.979 1.00 0.00 O ATOM 1363 CB PHE A 84 0.182 -5.566 3.224 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.722 -4.410 3.582 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.736 -4.001 2.727 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.557 -3.732 4.784 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.563 -2.945 3.060 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.383 -2.677 5.121 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.387 -2.284 4.259 1.00 0.00 C ATOM 0 H PHE A 84 -1.247 -7.597 2.221 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.001 -5.148 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.051 -6.407 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.214 -5.280 3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.881 -4.515 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.227 -4.034 5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.346 -2.637 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.243 -2.160 6.059 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.034 -1.460 4.522 1.00 0.00 H new ATOM 1379 N TRP A 85 2.019 -6.322 0.328 1.00 0.00 N ATOM 1380 CA TRP A 85 3.233 -6.966 -0.160 1.00 0.00 C ATOM 1381 C TRP A 85 4.477 -6.336 0.464 1.00 0.00 C ATOM 1382 O TRP A 85 4.489 -5.145 0.773 1.00 0.00 O ATOM 1383 CB TRP A 85 3.305 -6.869 -1.685 1.00 0.00 C ATOM 1384 CG TRP A 85 2.303 -7.741 -2.379 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.945 -7.684 -2.255 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.579 -8.801 -3.301 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.359 -8.644 -3.043 1.00 0.00 N ATOM 1388 CE2 TRP A 85 1.340 -9.342 -3.696 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.751 -9.345 -3.834 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 1.243 -10.400 -4.597 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.653 -10.395 -4.727 1.00 0.00 C ATOM 1392 CH2 TRP A 85 2.407 -10.913 -5.101 1.00 0.00 C ATOM 0 H TRP A 85 1.750 -5.485 -0.190 1.00 0.00 H new ATOM 0 HA TRP A 85 3.200 -8.016 0.130 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.145 -5.833 -1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.307 -7.145 -2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.409 -6.986 -1.629 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.644 -8.810 -3.128 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.717 -8.951 -3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.283 -10.801 -4.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.553 -10.823 -5.144 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.364 -11.734 -5.801 1.00 0.00 H new ATOM 1403 N LEU A 86 5.520 -7.143 0.657 1.00 0.00 N ATOM 1404 CA LEU A 86 6.759 -6.656 1.255 1.00 0.00 C ATOM 1405 C LEU A 86 7.806 -6.335 0.189 1.00 0.00 C ATOM 1406 O LEU A 86 8.456 -7.223 -0.360 1.00 0.00 O ATOM 1407 CB LEU A 86 7.312 -7.690 2.239 1.00 0.00 C ATOM 1408 CG LEU A 86 8.531 -7.241 3.050 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.786 -7.270 2.192 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.309 -5.849 3.627 1.00 0.00 C ATOM 0 H LEU A 86 5.530 -8.132 0.409 1.00 0.00 H new ATOM 0 HA LEU A 86 6.531 -5.734 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.518 -7.967 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.578 -8.589 1.683 1.00 0.00 H new ATOM 0 HG LEU A 86 8.666 -7.937 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.641 -6.948 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.957 -8.284 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.661 -6.599 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.186 -5.548 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.145 -5.140 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.436 -5.861 4.280 1.00 0.00 H new ATOM 1422 N VAL A 87 7.964 -5.047 -0.076 1.00 0.00 N ATOM 1423 CA VAL A 87 8.923 -4.546 -1.059 1.00 0.00 C ATOM 1424 C VAL A 87 10.306 -4.451 -0.466 1.00 0.00 C ATOM 1425 O VAL A 87 10.453 -4.175 0.724 1.00 0.00 O ATOM 1426 CB VAL A 87 8.529 -3.161 -1.548 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.355 -2.753 -2.754 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.044 -3.130 -1.856 1.00 0.00 C ATOM 0 H VAL A 87 7.429 -4.312 0.386 1.00 0.00 H new ATOM 0 HA VAL A 87 8.921 -5.251 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 87 8.734 -2.437 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.052 -1.759 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.411 -2.740 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.196 -3.467 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.766 -2.136 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.817 -3.864 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.480 -3.368 -0.954 1.00 0.00 H new ATOM 1438 N GLU A 88 11.325 -4.702 -1.277 1.00 0.00 N ATOM 1439 CA GLU A 88 12.684 -4.650 -0.756 1.00 0.00 C ATOM 1440 C GLU A 88 13.540 -3.532 -1.363 1.00 0.00 C ATOM 1441 O GLU A 88 14.519 -3.111 -0.747 1.00 0.00 O ATOM 1442 CB GLU A 88 13.384 -5.998 -0.949 1.00 0.00 C ATOM 1443 CG GLU A 88 12.443 -7.192 -0.899 1.00 0.00 C ATOM 1444 CD GLU A 88 13.165 -8.512 -1.087 1.00 0.00 C ATOM 1445 OE1 GLU A 88 13.730 -9.025 -0.099 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.164 -9.033 -2.222 1.00 0.00 O ATOM 0 H GLU A 88 11.243 -4.936 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 88 12.585 -4.424 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.900 -5.994 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.145 -6.115 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.923 -7.200 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.684 -7.084 -1.673 1.00 0.00 H new ATOM 1453 N ARG A 89 13.203 -3.058 -2.560 1.00 0.00 N ATOM 1454 CA ARG A 89 13.999 -2.006 -3.189 1.00 0.00 C ATOM 1455 C ARG A 89 13.232 -1.322 -4.313 1.00 0.00 C ATOM 1456 O ARG A 89 12.233 -1.845 -4.802 1.00 0.00 O ATOM 1457 CB ARG A 89 15.311 -2.597 -3.720 1.00 0.00 C ATOM 1458 CG ARG A 89 16.039 -1.708 -4.718 1.00 0.00 C ATOM 1459 CD ARG A 89 17.340 -2.340 -5.183 1.00 0.00 C ATOM 1460 NE ARG A 89 18.396 -1.348 -5.368 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.553 -1.600 -5.975 1.00 0.00 C ATOM 1462 NH1 ARG A 89 19.808 -2.811 -6.456 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.459 -0.640 -6.101 1.00 0.00 N ATOM 0 H ARG A 89 12.402 -3.377 -3.105 1.00 0.00 H new ATOM 0 HA ARG A 89 14.221 -1.250 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.973 -2.796 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.099 -3.556 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.396 -1.523 -5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.247 -0.740 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.664 -3.082 -4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.171 -2.869 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 89 18.237 -0.406 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.115 -3.554 -6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.697 -2.999 -6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.269 0.292 -5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.346 -0.834 -6.566 1.00 0.00 H new ATOM 1477 N TRP A 90 13.724 -0.159 -4.736 1.00 0.00 N ATOM 1478 CA TRP A 90 13.097 0.574 -5.823 1.00 0.00 C ATOM 1479 C TRP A 90 14.088 1.525 -6.494 1.00 0.00 C ATOM 1480 O TRP A 90 14.703 2.363 -5.835 1.00 0.00 O ATOM 1481 CB TRP A 90 11.850 1.317 -5.322 1.00 0.00 C ATOM 1482 CG TRP A 90 12.099 2.708 -4.822 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.423 3.803 -5.570 1.00 0.00 C ATOM 1484 CD2 TRP A 90 12.018 3.155 -3.465 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.553 4.904 -4.760 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.307 4.533 -3.464 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.729 2.525 -2.251 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.312 5.290 -2.298 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.736 3.280 -1.093 1.00 0.00 C ATOM 1490 CH2 TRP A 90 12.024 4.650 -1.124 1.00 0.00 C ATOM 0 H TRP A 90 14.551 0.290 -4.342 1.00 0.00 H new ATOM 0 HA TRP A 90 12.778 -0.143 -6.580 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.123 1.363 -6.133 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.396 0.735 -4.520 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.557 3.803 -6.642 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.794 5.845 -5.072 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.505 1.469 -2.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.535 6.346 -2.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.516 2.805 -0.148 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.019 5.213 -0.202 1.00 0.00 H new ATOM 1501 N GLU A 91 14.246 1.381 -7.812 1.00 0.00 N ATOM 1502 CA GLU A 91 15.170 2.223 -8.566 1.00 0.00 C ATOM 1503 C GLU A 91 14.600 3.624 -8.764 1.00 0.00 C ATOM 1504 O GLU A 91 13.390 3.800 -8.906 1.00 0.00 O ATOM 1505 CB GLU A 91 15.476 1.589 -9.924 1.00 0.00 C ATOM 1506 CG GLU A 91 16.232 0.275 -9.826 1.00 0.00 C ATOM 1507 CD GLU A 91 16.718 -0.221 -11.174 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.068 0.097 -12.191 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.746 -0.928 -11.211 1.00 0.00 O ATOM 0 H GLU A 91 13.747 0.692 -8.375 1.00 0.00 H new ATOM 0 HA GLU A 91 16.093 2.306 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.540 1.421 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.060 2.291 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.086 0.400 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.585 -0.479 -9.377 1.00 0.00 H new ATOM 1516 N GLY A 92 15.483 4.618 -8.773 1.00 0.00 N ATOM 1517 CA GLY A 92 15.055 5.994 -8.956 1.00 0.00 C ATOM 1518 C GLY A 92 14.015 6.420 -7.939 1.00 0.00 C ATOM 1519 O GLY A 92 14.192 6.221 -6.737 1.00 0.00 O ATOM 0 H GLY A 92 16.489 4.495 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.920 6.653 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.647 6.113 -9.960 1.00 0.00 H new ATOM 1523 N GLU A 93 12.926 7.009 -8.423 1.00 0.00 N ATOM 1524 CA GLU A 93 11.851 7.465 -7.551 1.00 0.00 C ATOM 1525 C GLU A 93 10.531 6.791 -7.926 1.00 0.00 C ATOM 1526 O GLU A 93 10.240 6.607 -9.106 1.00 0.00 O ATOM 1527 CB GLU A 93 11.703 8.985 -7.639 1.00 0.00 C ATOM 1528 CG GLU A 93 12.999 9.737 -7.385 1.00 0.00 C ATOM 1529 CD GLU A 93 12.785 11.230 -7.229 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.652 11.636 -6.898 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.752 11.993 -7.439 1.00 0.00 O ATOM 0 H GLU A 93 12.765 7.181 -9.415 1.00 0.00 H new ATOM 0 HA GLU A 93 12.104 7.192 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.327 9.249 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.955 9.312 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.472 9.345 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.687 9.557 -8.211 1.00 0.00 H new ATOM 1538 N PRO A 94 9.705 6.426 -6.926 1.00 0.00 N ATOM 1539 CA PRO A 94 8.413 5.783 -7.160 1.00 0.00 C ATOM 1540 C PRO A 94 7.381 6.787 -7.644 1.00 0.00 C ATOM 1541 O PRO A 94 7.239 7.862 -7.061 1.00 0.00 O ATOM 1542 CB PRO A 94 8.018 5.228 -5.779 1.00 0.00 C ATOM 1543 CG PRO A 94 9.192 5.479 -4.886 1.00 0.00 C ATOM 1544 CD PRO A 94 9.943 6.623 -5.496 1.00 0.00 C ATOM 0 HA PRO A 94 8.467 5.012 -7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.125 5.724 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.791 4.163 -5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.867 5.722 -3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.823 4.593 -4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.568 7.586 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.005 6.589 -5.252 1.00 0.00 H new ATOM 1552 N TRP A 95 6.665 6.454 -8.714 1.00 0.00 N ATOM 1553 CA TRP A 95 5.669 7.374 -9.241 1.00 0.00 C ATOM 1554 C TRP A 95 4.340 6.698 -9.549 1.00 0.00 C ATOM 1555 O TRP A 95 3.321 7.003 -8.929 1.00 0.00 O ATOM 1556 CB TRP A 95 6.190 8.076 -10.500 1.00 0.00 C ATOM 1557 CG TRP A 95 6.823 7.167 -11.524 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.121 6.750 -11.552 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.193 6.578 -12.673 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.346 5.960 -12.658 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.179 5.842 -13.360 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.895 6.606 -13.190 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.906 5.149 -14.539 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.625 5.914 -14.356 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.627 5.198 -15.022 1.00 0.00 C ATOM 0 H TRP A 95 6.754 5.574 -9.222 1.00 0.00 H new ATOM 0 HA TRP A 95 5.489 8.108 -8.456 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.362 8.606 -10.970 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.922 8.827 -10.202 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.866 7.003 -10.813 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.237 5.533 -12.911 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.116 7.159 -12.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.677 4.593 -15.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.624 5.926 -14.760 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.385 4.674 -15.935 1.00 0.00 H new ATOM 1576 N GLY A 96 4.352 5.802 -10.525 1.00 0.00 N ATOM 1577 CA GLY A 96 3.132 5.116 -10.923 1.00 0.00 C ATOM 1578 C GLY A 96 1.944 6.055 -11.061 1.00 0.00 C ATOM 1579 O GLY A 96 1.766 6.695 -12.096 1.00 0.00 O ATOM 0 H GLY A 96 5.184 5.535 -11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.300 4.608 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.897 4.347 -10.187 1.00 0.00 H new ATOM 1583 N LYS A 97 1.128 6.132 -10.008 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.055 6.994 -10.007 1.00 0.00 C ATOM 1585 C LYS A 97 -0.903 6.775 -8.751 1.00 0.00 C ATOM 1586 O LYS A 97 -2.133 6.830 -8.806 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.905 6.740 -11.257 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.211 8.001 -12.049 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.264 7.747 -13.115 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.649 7.605 -12.506 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.541 6.755 -13.344 1.00 0.00 N ATOM 0 H LYS A 97 1.265 5.607 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 97 0.291 8.028 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.385 6.032 -11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.843 6.271 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.558 8.782 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.298 8.368 -12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.263 8.568 -13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.013 6.841 -13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.565 7.170 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.096 8.592 -12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.532 6.923 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.407 6.995 -14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.307 5.753 -13.194 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.244 6.534 -7.619 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.941 6.318 -6.350 1.00 0.00 C ATOM 1607 C GLU A 98 -1.855 7.495 -6.025 1.00 0.00 C ATOM 1608 O GLU A 98 -2.998 7.309 -5.607 1.00 0.00 O ATOM 1609 CB GLU A 98 0.072 6.120 -5.220 1.00 0.00 C ATOM 1610 CG GLU A 98 1.200 7.140 -5.225 1.00 0.00 C ATOM 1611 CD GLU A 98 1.110 8.119 -4.071 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -0.012 8.576 -3.767 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.162 8.429 -3.473 1.00 0.00 O ATOM 0 H GLU A 98 0.773 6.483 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.553 5.421 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.449 6.172 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.498 5.120 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.156 6.618 -5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.182 7.691 -6.165 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.345 8.707 -6.222 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.132 9.896 -5.945 1.00 0.00 C ATOM 1622 C GLY A 99 -1.328 10.984 -5.262 1.00 0.00 C ATOM 1623 O GLY A 99 -0.841 11.908 -5.913 1.00 0.00 O ATOM 0 H GLY A 99 -0.403 8.887 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.539 10.283 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.980 9.627 -5.315 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.193 10.878 -3.943 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.447 11.862 -3.166 1.00 0.00 C ATOM 1629 C GLN A 100 1.019 11.470 -3.034 1.00 0.00 C ATOM 1630 O GLN A 100 1.355 10.497 -2.360 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.070 12.025 -1.777 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.339 10.706 -1.071 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.819 10.421 -0.906 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.596 11.303 -0.538 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.218 9.185 -1.179 1.00 0.00 N ATOM 0 H GLN A 100 -1.591 10.119 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.498 12.812 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.406 12.629 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.006 12.575 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.878 9.896 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.865 10.721 -0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.540 8.485 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.203 8.935 -1.087 1.00 0.00 H new ATOM 1644 N PRO A 101 1.914 12.237 -3.679 1.00 0.00 N ATOM 1645 CA PRO A 101 3.356 11.986 -3.638 1.00 0.00 C ATOM 1646 C PRO A 101 3.853 11.642 -2.235 1.00 0.00 C ATOM 1647 O PRO A 101 3.334 12.149 -1.242 1.00 0.00 O ATOM 1648 CB PRO A 101 3.925 13.324 -4.092 1.00 0.00 C ATOM 1649 CG PRO A 101 2.924 13.832 -5.062 1.00 0.00 C ATOM 1650 CD PRO A 101 1.590 13.420 -4.507 1.00 0.00 C ATOM 0 HA PRO A 101 3.651 11.134 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.051 14.009 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.904 13.204 -4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.990 14.915 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.086 13.408 -6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.139 14.215 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.883 13.174 -5.300 1.00 0.00 H new ATOM 1658 N GLY A 102 4.859 10.775 -2.165 1.00 0.00 N ATOM 1659 CA GLY A 102 5.405 10.375 -0.880 1.00 0.00 C ATOM 1660 C GLY A 102 6.899 10.619 -0.774 1.00 0.00 C ATOM 1661 O GLY A 102 7.536 11.056 -1.733 1.00 0.00 O ATOM 0 H GLY A 102 5.305 10.343 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.895 10.923 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.202 9.316 -0.718 1.00 0.00 H new ATOM 1665 N GLU A 103 7.459 10.330 0.398 1.00 0.00 N ATOM 1666 CA GLU A 103 8.888 10.512 0.639 1.00 0.00 C ATOM 1667 C GLU A 103 9.445 9.344 1.448 1.00 0.00 C ATOM 1668 O GLU A 103 8.699 8.656 2.146 1.00 0.00 O ATOM 1669 CB GLU A 103 9.141 11.828 1.377 1.00 0.00 C ATOM 1670 CG GLU A 103 9.018 13.056 0.490 1.00 0.00 C ATOM 1671 CD GLU A 103 8.468 14.258 1.231 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.141 14.736 2.169 1.00 0.00 O ATOM 1673 OE2 GLU A 103 7.365 14.722 0.874 1.00 0.00 O ATOM 0 H GLU A 103 6.942 9.967 1.199 1.00 0.00 H new ATOM 0 HA GLU A 103 9.397 10.546 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.434 11.914 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.139 11.804 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.997 13.303 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.368 12.826 -0.354 1.00 0.00 H new ATOM 1680 N TRP A 104 10.753 9.117 1.355 1.00 0.00 N ATOM 1681 CA TRP A 104 11.381 8.019 2.091 1.00 0.00 C ATOM 1682 C TRP A 104 11.176 8.209 3.592 1.00 0.00 C ATOM 1683 O TRP A 104 11.798 9.072 4.211 1.00 0.00 O ATOM 1684 CB TRP A 104 12.884 7.925 1.775 1.00 0.00 C ATOM 1685 CG TRP A 104 13.248 8.391 0.397 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.522 8.223 -0.745 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.432 9.104 0.019 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.180 8.787 -1.812 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.355 9.334 -1.368 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.549 9.571 0.717 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.352 10.010 -2.067 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.538 10.241 0.022 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.433 10.455 -1.358 1.00 0.00 C ATOM 0 H TRP A 104 11.393 9.670 0.785 1.00 0.00 H new ATOM 0 HA TRP A 104 10.908 7.089 1.777 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.436 8.517 2.505 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.206 6.890 1.894 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.568 7.720 -0.803 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.848 8.797 -2.776 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.638 9.411 1.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.274 10.177 -3.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.406 10.605 0.552 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.222 10.983 -1.873 1.00 0.00 H new ATOM 1704 N MET A 105 10.294 7.397 4.169 1.00 0.00 N ATOM 1705 CA MET A 105 9.996 7.472 5.596 1.00 0.00 C ATOM 1706 C MET A 105 10.314 6.156 6.294 1.00 0.00 C ATOM 1707 O MET A 105 10.455 5.118 5.650 1.00 0.00 O ATOM 1708 CB MET A 105 8.526 7.834 5.818 1.00 0.00 C ATOM 1709 CG MET A 105 7.984 8.842 4.817 1.00 0.00 C ATOM 1710 SD MET A 105 6.808 9.991 5.556 1.00 0.00 S ATOM 1711 CE MET A 105 5.348 8.958 5.668 1.00 0.00 C ATOM 0 H MET A 105 9.772 6.678 3.668 1.00 0.00 H new ATOM 0 HA MET A 105 10.625 8.251 6.026 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.926 6.926 5.766 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.409 8.236 6.824 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.814 9.404 4.387 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.501 8.310 3.997 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.736 9.283 6.509 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.772 9.041 4.747 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.647 7.920 5.816 1.00 0.00 H new ATOM 1721 N SER A 106 10.412 6.201 7.618 1.00 0.00 N ATOM 1722 CA SER A 106 10.696 5.007 8.404 1.00 0.00 C ATOM 1723 C SER A 106 9.405 4.258 8.719 1.00 0.00 C ATOM 1724 O SER A 106 8.538 4.769 9.428 1.00 0.00 O ATOM 1725 CB SER A 106 11.414 5.382 9.703 1.00 0.00 C ATOM 1726 OG SER A 106 12.344 4.381 10.079 1.00 0.00 O ATOM 0 H SER A 106 10.299 7.052 8.169 1.00 0.00 H new ATOM 0 HA SER A 106 11.346 4.356 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.931 6.333 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.683 5.521 10.499 1.00 0.00 H new ATOM 0 HG SER A 106 12.790 4.645 10.910 1.00 0.00 H new ATOM 1732 N LEU A 107 9.277 3.049 8.181 1.00 0.00 N ATOM 1733 CA LEU A 107 8.084 2.238 8.400 1.00 0.00 C ATOM 1734 C LEU A 107 7.998 1.746 9.843 1.00 0.00 C ATOM 1735 O LEU A 107 6.930 1.352 10.309 1.00 0.00 O ATOM 1736 CB LEU A 107 8.061 1.049 7.437 1.00 0.00 C ATOM 1737 CG LEU A 107 6.681 0.701 6.874 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.788 0.129 7.964 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.036 1.927 6.244 1.00 0.00 C ATOM 0 H LEU A 107 9.984 2.610 7.591 1.00 0.00 H new ATOM 0 HA LEU A 107 7.217 2.870 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.733 1.261 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.458 0.175 7.953 1.00 0.00 H new ATOM 0 HG LEU A 107 6.807 -0.057 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.811 -0.112 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.242 -0.775 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.670 0.864 8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.056 1.660 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.924 2.707 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.666 2.294 5.434 1.00 0.00 H new ATOM 1751 N VAL A 108 9.126 1.771 10.548 1.00 0.00 N ATOM 1752 CA VAL A 108 9.169 1.327 11.938 1.00 0.00 C ATOM 1753 C VAL A 108 8.185 2.109 12.812 1.00 0.00 C ATOM 1754 O VAL A 108 7.882 1.701 13.933 1.00 0.00 O ATOM 1755 CB VAL A 108 10.587 1.467 12.526 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.023 2.924 12.540 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.649 0.870 13.924 1.00 0.00 C ATOM 0 H VAL A 108 10.021 2.093 10.180 1.00 0.00 H new ATOM 0 HA VAL A 108 8.881 0.276 11.938 1.00 0.00 H new ATOM 0 HB VAL A 108 11.277 0.914 11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.026 2.999 12.959 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.025 3.313 11.522 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.331 3.505 13.149 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.658 0.979 14.322 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.945 1.390 14.573 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.388 -0.187 13.880 1.00 0.00 H new ATOM 1767 N GLY A 109 7.686 3.231 12.295 1.00 0.00 N ATOM 1768 CA GLY A 109 6.745 4.040 13.044 1.00 0.00 C ATOM 1769 C GLY A 109 5.625 4.566 12.173 1.00 0.00 C ATOM 1770 O GLY A 109 5.368 5.769 12.132 1.00 0.00 O ATOM 0 H GLY A 109 7.919 3.592 11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.324 3.447 13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.272 4.878 13.501 1.00 0.00 H new ATOM 1774 N LEU A 110 4.959 3.657 11.470 1.00 0.00 N ATOM 1775 CA LEU A 110 3.858 4.022 10.583 1.00 0.00 C ATOM 1776 C LEU A 110 2.711 4.653 11.368 1.00 0.00 C ATOM 1777 O LEU A 110 2.512 4.359 12.546 1.00 0.00 O ATOM 1778 CB LEU A 110 3.359 2.791 9.824 1.00 0.00 C ATOM 1779 CG LEU A 110 2.063 2.998 9.038 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.092 2.205 7.743 1.00 0.00 C ATOM 1781 CD2 LEU A 110 0.864 2.604 9.885 1.00 0.00 C ATOM 0 H LEU A 110 5.163 2.658 11.497 1.00 0.00 H new ATOM 0 HA LEU A 110 4.228 4.756 9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.138 2.468 9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.209 1.980 10.536 1.00 0.00 H new ATOM 0 HG LEU A 110 1.974 4.055 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.162 2.365 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.932 2.536 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.203 1.144 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.051 2.756 9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.946 1.554 10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.836 3.219 10.785 1.00 0.00 H new ATOM 1793 N ASN A 111 1.969 5.540 10.707 1.00 0.00 N ATOM 1794 CA ASN A 111 0.856 6.233 11.343 1.00 0.00 C ATOM 1795 C ASN A 111 -0.481 5.548 11.083 1.00 0.00 C ATOM 1796 O ASN A 111 -1.151 5.828 10.089 1.00 0.00 O ATOM 1797 CB ASN A 111 0.796 7.684 10.864 1.00 0.00 C ATOM 1798 CG ASN A 111 0.534 8.657 11.997 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.601 8.812 12.447 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.586 9.320 12.463 1.00 0.00 N ATOM 0 H ASN A 111 2.121 5.794 9.731 1.00 0.00 H new ATOM 0 HA ASN A 111 1.034 6.205 12.418 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.737 7.942 10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.011 7.784 10.114 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.471 9.989 13.224 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.509 9.160 12.060 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.881 4.673 12.003 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.158 3.979 11.888 1.00 0.00 C ATOM 1809 C ALA A 112 -3.308 4.949 12.166 1.00 0.00 C ATOM 1810 O ALA A 112 -4.449 4.709 11.775 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.218 2.797 12.844 1.00 0.00 C ATOM 0 H ALA A 112 -0.340 4.429 12.833 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.255 3.598 10.871 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.180 2.294 12.741 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.416 2.098 12.609 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.102 3.151 13.868 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.992 6.047 12.852 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.985 7.063 13.184 1.00 0.00 C ATOM 1819 C ASP A 113 -4.268 7.969 11.986 1.00 0.00 C ATOM 1820 O ASP A 113 -5.422 8.273 11.685 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.508 7.902 14.370 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.641 8.278 15.305 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.318 9.294 15.039 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.851 7.558 16.304 1.00 0.00 O ATOM 0 H ASP A 113 -2.052 6.254 13.189 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.910 6.553 13.454 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.752 7.346 14.925 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.029 8.809 14.001 1.00 0.00 H new ATOM 1829 N ASP A 114 -3.202 8.404 11.316 1.00 0.00 N ATOM 1830 CA ASP A 114 -3.328 9.287 10.159 1.00 0.00 C ATOM 1831 C ASP A 114 -4.002 8.578 8.990 1.00 0.00 C ATOM 1832 O ASP A 114 -4.825 9.165 8.289 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.954 9.804 9.735 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.835 11.309 9.872 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.816 12.015 9.558 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.758 11.783 10.295 1.00 0.00 O ATOM 0 H ASP A 114 -2.241 8.159 11.555 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.954 10.130 10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -1.186 9.325 10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.766 9.520 8.700 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.655 7.315 8.786 1.00 0.00 N ATOM 1842 CA PHE A 115 -4.236 6.534 7.704 1.00 0.00 C ATOM 1843 C PHE A 115 -5.639 6.062 8.107 1.00 0.00 C ATOM 1844 O PHE A 115 -6.063 6.292 9.239 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.296 5.370 7.339 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.699 4.026 7.870 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.036 3.872 9.199 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.719 2.916 7.041 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.390 2.637 9.699 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.075 1.678 7.533 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.409 1.539 8.863 1.00 0.00 C ATOM 0 H PHE A 115 -2.975 6.810 9.355 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.347 7.147 6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.228 5.307 6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.297 5.603 7.708 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.022 4.729 9.856 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.453 3.021 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.652 2.529 10.741 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.092 0.820 6.878 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.686 0.570 9.251 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.395 5.426 7.194 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.758 4.973 7.495 1.00 0.00 C ATOM 1863 C PRO A 116 -7.822 4.089 8.742 1.00 0.00 C ATOM 1864 O PRO A 116 -7.085 3.111 8.859 1.00 0.00 O ATOM 1865 CB PRO A 116 -8.168 4.176 6.247 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.912 3.970 5.468 1.00 0.00 C ATOM 1867 CD PRO A 116 -6.014 5.123 5.808 1.00 0.00 C ATOM 0 HA PRO A 116 -8.419 5.813 7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.619 3.222 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.908 4.721 5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.443 3.021 5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.118 3.940 4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.961 4.855 5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.178 5.974 5.147 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.712 4.431 9.699 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.871 3.670 10.944 1.00 0.00 C ATOM 1877 C PRO A 117 -9.487 2.297 10.709 1.00 0.00 C ATOM 1878 O PRO A 117 -9.139 1.327 11.381 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.813 4.541 11.780 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.576 5.337 10.780 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.629 5.586 9.641 1.00 0.00 C ATOM 0 HA PRO A 117 -7.912 3.475 11.424 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.478 3.931 12.392 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.257 5.187 12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.459 4.795 10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.923 6.276 11.211 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.153 5.635 8.686 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.095 6.529 9.761 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.399 2.217 9.747 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.052 0.955 9.421 1.00 0.00 C ATOM 1891 C ALA A 118 -10.094 0.007 8.715 1.00 0.00 C ATOM 1892 O ALA A 118 -10.400 -1.167 8.507 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.288 1.202 8.571 1.00 0.00 C ATOM 0 H ALA A 118 -10.702 3.009 9.180 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.361 0.483 10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.764 0.250 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.988 1.832 9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.000 1.701 7.646 1.00 0.00 H new ATOM 1899 N ASN A 119 -8.937 0.532 8.343 1.00 0.00 N ATOM 1900 CA ASN A 119 -7.921 -0.240 7.654 1.00 0.00 C ATOM 1901 C ASN A 119 -6.757 -0.574 8.592 1.00 0.00 C ATOM 1902 O ASN A 119 -5.666 -0.923 8.142 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.434 0.579 6.464 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.283 0.360 5.222 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.165 -0.500 5.202 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.028 1.146 4.182 1.00 0.00 N ATOM 0 H ASN A 119 -8.678 1.504 8.511 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.342 -1.186 7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.445 1.637 6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.399 0.316 6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.572 1.050 3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.288 1.846 4.241 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.003 -0.453 9.899 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.988 -0.719 10.921 1.00 0.00 C ATOM 1915 C GLU A 120 -5.730 -2.212 11.151 1.00 0.00 C ATOM 1916 O GLU A 120 -4.621 -2.584 11.517 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.374 -0.049 12.242 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.319 0.911 12.766 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.252 0.932 14.281 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -5.623 -0.084 14.905 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.828 1.964 14.842 1.00 0.00 O ATOM 0 H GLU A 120 -7.907 -0.169 10.277 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.058 -0.294 10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.310 0.492 12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.557 -0.819 12.991 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.345 0.628 12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.534 1.916 12.401 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.734 -3.095 10.977 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.552 -4.533 11.214 1.00 0.00 C ATOM 1930 C PRO A 121 -5.240 -5.073 10.643 1.00 0.00 C ATOM 1931 O PRO A 121 -4.618 -5.957 11.231 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.749 -5.144 10.493 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.816 -4.113 10.618 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.118 -2.778 10.570 1.00 0.00 C ATOM 0 HA PRO A 121 -6.498 -4.771 12.276 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.520 -5.355 9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.050 -6.087 10.950 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.541 -4.203 9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.365 -4.232 11.552 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.153 -2.343 9.571 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.580 -2.059 11.247 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.811 -4.521 9.515 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.560 -4.934 8.892 1.00 0.00 C ATOM 1944 C VAL A 122 -2.379 -4.312 9.620 1.00 0.00 C ATOM 1945 O VAL A 122 -1.398 -4.985 9.939 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.492 -4.522 7.409 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.301 -5.178 6.728 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.784 -4.874 6.693 1.00 0.00 C ATOM 0 H VAL A 122 -5.311 -3.787 9.013 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.517 -6.021 8.956 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.362 -3.441 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.269 -4.876 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.382 -4.867 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.398 -6.262 6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.714 -4.574 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.951 -5.950 6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.616 -4.351 7.165 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.488 -3.013 9.869 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.444 -2.265 10.549 1.00 0.00 C ATOM 1960 C ILE A 123 -1.329 -2.675 12.013 1.00 0.00 C ATOM 1961 O ILE A 123 -0.246 -2.642 12.588 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.705 -0.750 10.453 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.673 -0.310 8.992 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.676 0.025 11.259 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.303 -0.436 8.364 1.00 0.00 C ATOM 0 H ILE A 123 -3.299 -2.453 9.606 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.503 -2.497 10.051 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.691 -0.539 10.867 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.384 -0.909 8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.003 0.726 8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.879 1.093 11.177 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.731 -0.276 12.305 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.322 -0.185 10.873 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.347 -0.108 7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.406 0.185 8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.020 -1.476 8.402 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.443 -3.069 12.611 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.442 -3.491 14.004 1.00 0.00 C ATOM 1979 C ALA A 124 -1.426 -4.606 14.219 1.00 0.00 C ATOM 1980 O ALA A 124 -0.898 -4.778 15.318 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.832 -3.948 14.422 1.00 0.00 C ATOM 0 H ALA A 124 -3.355 -3.105 12.156 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.159 -2.641 14.624 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.814 -4.260 15.466 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.537 -3.125 14.301 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.142 -4.786 13.798 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.156 -5.359 13.156 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.199 -6.458 13.222 1.00 0.00 C ATOM 1989 C LYS A 125 1.241 -5.949 13.128 1.00 0.00 C ATOM 1990 O LYS A 125 2.101 -6.343 13.916 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.470 -7.465 12.103 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.369 -8.915 12.551 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.424 -9.780 11.883 1.00 0.00 C ATOM 1994 CE LYS A 125 -2.715 -9.805 12.685 1.00 0.00 C ATOM 1995 NZ LYS A 125 -3.697 -8.800 12.190 1.00 0.00 N ATOM 0 H LYS A 125 -1.586 -5.228 12.240 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.323 -6.950 14.187 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.467 -7.287 11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.238 -7.294 11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.622 -9.301 12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.483 -8.971 13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.625 -9.402 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.045 -10.796 11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.156 -10.800 12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.494 -9.610 13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.637 -9.012 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.403 -7.849 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.737 -8.836 11.151 1.00 0.00 H new ATOM 2009 N LEU A 126 1.498 -5.078 12.156 1.00 0.00 N ATOM 2010 CA LEU A 126 2.834 -4.521 11.953 1.00 0.00 C ATOM 2011 C LEU A 126 3.133 -3.416 12.960 1.00 0.00 C ATOM 2012 O LEU A 126 4.210 -3.377 13.554 1.00 0.00 O ATOM 2013 CB LEU A 126 2.965 -3.970 10.531 1.00 0.00 C ATOM 2014 CG LEU A 126 4.400 -3.714 10.063 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.989 -2.511 10.782 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.265 -4.948 10.282 1.00 0.00 C ATOM 0 H LEU A 126 0.798 -4.742 11.495 1.00 0.00 H new ATOM 0 HA LEU A 126 3.556 -5.324 12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.494 -4.671 9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.406 -3.036 10.467 1.00 0.00 H new ATOM 0 HG LEU A 126 4.379 -3.498 8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.009 -2.344 10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.385 -1.629 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.995 -2.696 11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.281 -4.745 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.280 -5.198 11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.854 -5.785 9.717 1.00 0.00 H new ATOM 2028 N LYS A 127 2.173 -2.517 13.142 1.00 0.00 N ATOM 2029 CA LYS A 127 2.319 -1.402 14.072 1.00 0.00 C ATOM 2030 C LYS A 127 2.726 -1.889 15.450 1.00 0.00 C ATOM 2031 O LYS A 127 3.597 -1.306 16.096 1.00 0.00 O ATOM 2032 CB LYS A 127 1.013 -0.633 14.162 1.00 0.00 C ATOM 2033 CG LYS A 127 1.037 0.507 15.165 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.183 1.403 15.022 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.698 1.865 16.376 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.849 1.042 16.842 1.00 0.00 N ATOM 0 H LYS A 127 1.278 -2.539 12.654 1.00 0.00 H new ATOM 0 HA LYS A 127 3.104 -0.745 13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.770 -0.233 13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.214 -1.324 14.431 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.075 0.102 16.176 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.942 1.098 15.024 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.071 2.271 14.413 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.971 0.864 14.496 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.107 1.811 17.109 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.001 2.910 16.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.171 1.388 17.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.627 1.113 16.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.553 0.049 16.928 1.00 0.00 H new ATOM 2050 N ARG A 128 2.106 -2.977 15.889 1.00 0.00 N ATOM 2051 CA ARG A 128 2.424 -3.555 17.182 1.00 0.00 C ATOM 2052 C ARG A 128 3.869 -4.047 17.192 1.00 0.00 C ATOM 2053 O ARG A 128 4.397 -4.432 18.235 1.00 0.00 O ATOM 2054 CB ARG A 128 1.472 -4.709 17.503 1.00 0.00 C ATOM 2055 CG ARG A 128 1.439 -5.080 18.975 1.00 0.00 C ATOM 2056 CD ARG A 128 0.253 -5.974 19.298 1.00 0.00 C ATOM 2057 NE ARG A 128 0.628 -7.386 19.346 1.00 0.00 N ATOM 2058 CZ ARG A 128 -0.242 -8.379 19.515 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -1.537 -8.120 19.655 1.00 0.00 N ATOM 2060 NH2 ARG A 128 0.182 -9.635 19.546 1.00 0.00 N ATOM 0 H ARG A 128 1.383 -3.473 15.368 1.00 0.00 H new ATOM 0 HA ARG A 128 2.305 -2.787 17.946 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.466 -4.438 17.183 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.767 -5.584 16.923 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.364 -5.590 19.243 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.388 -4.174 19.579 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.172 -5.679 20.257 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.524 -5.831 18.547 1.00 0.00 H new ATOM 0 HE ARG A 128 1.615 -7.624 19.244 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.870 -7.156 19.633 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.199 -8.885 19.784 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.175 -9.841 19.440 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.485 -10.395 19.676 1.00 0.00 H new ATOM 2074 N LEU A 129 4.506 -4.023 16.018 1.00 0.00 N ATOM 2075 CA LEU A 129 5.891 -4.458 15.883 1.00 0.00 C ATOM 2076 C LEU A 129 6.129 -5.786 16.600 1.00 0.00 C ATOM 2077 O LEU A 129 6.423 -5.814 17.794 1.00 0.00 O ATOM 2078 CB LEU A 129 6.833 -3.389 16.436 1.00 0.00 C ATOM 2079 CG LEU A 129 6.461 -1.947 16.072 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.044 -1.171 17.313 1.00 0.00 C ATOM 2081 CD2 LEU A 129 7.623 -1.252 15.375 1.00 0.00 C ATOM 0 H LEU A 129 4.080 -3.705 15.148 1.00 0.00 H new ATOM 0 HA LEU A 129 6.095 -4.606 14.823 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.862 -3.478 17.522 1.00 0.00 H new ATOM 0 HB3 LEU A 129 7.841 -3.591 16.073 1.00 0.00 H new ATOM 0 HG LEU A 129 5.616 -1.977 15.384 1.00 0.00 H new ATOM 0 HD11 LEU A 129 5.784 -0.150 17.033 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.180 -1.653 17.770 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.869 -1.153 18.025 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.339 -0.230 15.125 1.00 0.00 H new ATOM 0 HD22 LEU A 129 8.488 -1.236 16.038 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.875 -1.792 14.462 1.00 0.00 H new