USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 947 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 68 SER OG : rot 123:sc= 1.22 USER MOD Set 1.2: A 110 GLN : amide:sc= 0.0545 K(o=1.3,f=-5.2!) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.339 K(o=0.89,f=-0.39) USER MOD Set 2.2: A 44 TYR OH : rot 15:sc= 0.327 USER MOD Set 2.3: A 104 TYR OH : rot 178:sc= 0.904 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.41 (180deg=0.626) USER MOD Single : A 11 THR OG1 : rot 74:sc= 0.547 USER MOD Single : A 14 SER OG : rot 110:sc= 0.266 USER MOD Single : A 18 THR OG1 : rot 87:sc= 1.16 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 67:sc= 1.02 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 133:sc= -0.302! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.356 F(o=-2.7,f=-0.36) USER MOD Single : A 42 LYS NZ :NH3+ -128:sc= 1.16 (180deg=-0.992) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0.709 (180deg=0.704) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= -2.41! C(o=-3!,f=-2.4!) USER MOD Single : A 55 MET CE :methyl 152:sc= -1.43! (180deg=-1.61!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 59 ASN : amide:sc= 1.09 K(o=1.1,f=-0.19) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.544 K(o=0.54,f=-4.5!) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.22) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0387 F(o=-1.5!,f=-0.039) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= 0.406 (180deg=0.374) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 89 TYR OH : rot -140:sc= 0.428 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.166 K(o=-0.17,f=-1) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 1.09 (180deg=0.872) USER MOD Single : A 102 SER OG : rot 76:sc= 1.3 USER MOD Single : A 105 THR OG1 : rot 29:sc= 1.04 USER MOD Single : A 107 MET CE :methyl -112:sc= 0 (180deg=-0.0629) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.095 18.435 -10.375 1.00 0.00 N ATOM 2 CA MET A 1 -0.240 17.855 -10.526 1.00 0.00 C ATOM 3 C MET A 1 -0.845 17.622 -9.173 1.00 0.00 C ATOM 4 O MET A 1 -0.231 16.983 -8.323 1.00 0.00 O ATOM 5 CB MET A 1 -0.212 16.527 -11.317 1.00 0.00 C ATOM 6 CG MET A 1 0.125 16.646 -12.799 1.00 0.00 C ATOM 7 SD MET A 1 1.813 17.203 -13.118 1.00 0.00 S ATOM 8 CE MET A 1 1.806 17.238 -14.915 1.00 0.00 C ATOM 0 H1 MET A 1 1.656 18.242 -11.229 1.00 0.00 H new ATOM 0 H2 MET A 1 1.014 19.463 -10.239 1.00 0.00 H new ATOM 0 H3 MET A 1 1.566 18.013 -9.549 1.00 0.00 H new ATOM 0 HA MET A 1 -0.845 18.564 -11.092 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.516 15.863 -10.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.187 16.049 -11.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.024 15.677 -13.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.572 17.342 -13.266 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.781 17.564 -15.276 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.592 16.240 -15.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.040 17.932 -15.262 1.00 0.00 H new ATOM 20 N ALA A 2 -2.030 18.154 -8.958 1.00 0.00 N ATOM 21 CA ALA A 2 -2.723 17.971 -7.706 1.00 0.00 C ATOM 22 C ALA A 2 -3.435 16.633 -7.731 1.00 0.00 C ATOM 23 O ALA A 2 -4.512 16.493 -8.327 1.00 0.00 O ATOM 24 CB ALA A 2 -3.707 19.111 -7.460 1.00 0.00 C ATOM 0 H ALA A 2 -2.534 18.720 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.004 17.981 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.218 18.952 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.167 20.057 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.440 19.139 -8.266 1.00 0.00 H new ATOM 30 N GLU A 3 -2.802 15.654 -7.166 1.00 0.00 N ATOM 31 CA GLU A 3 -3.309 14.313 -7.152 1.00 0.00 C ATOM 32 C GLU A 3 -4.170 14.077 -5.936 1.00 0.00 C ATOM 33 O GLU A 3 -3.682 14.065 -4.797 1.00 0.00 O ATOM 34 CB GLU A 3 -2.160 13.311 -7.215 1.00 0.00 C ATOM 35 CG GLU A 3 -1.439 13.276 -8.550 1.00 0.00 C ATOM 36 CD GLU A 3 -2.306 12.716 -9.652 1.00 0.00 C ATOM 37 OE1 GLU A 3 -3.089 13.471 -10.265 1.00 0.00 O ATOM 38 OE2 GLU A 3 -2.225 11.500 -9.921 1.00 0.00 O ATOM 0 H GLU A 3 -1.905 15.763 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.934 14.170 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -1.440 13.550 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.548 12.316 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.122 14.284 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.536 12.672 -8.458 1.00 0.00 H new ATOM 45 N GLY A 4 -5.441 13.959 -6.170 1.00 0.00 N ATOM 46 CA GLY A 4 -6.365 13.675 -5.110 1.00 0.00 C ATOM 47 C GLY A 4 -7.610 13.012 -5.630 1.00 0.00 C ATOM 48 O GLY A 4 -8.587 12.834 -4.893 1.00 0.00 O ATOM 0 H GLY A 4 -5.867 14.055 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.888 13.029 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.630 14.600 -4.599 1.00 0.00 H new ATOM 52 N GLY A 5 -7.571 12.607 -6.892 1.00 0.00 N ATOM 53 CA GLY A 5 -8.725 12.017 -7.522 1.00 0.00 C ATOM 54 C GLY A 5 -8.813 10.548 -7.236 1.00 0.00 C ATOM 55 O GLY A 5 -8.335 9.723 -8.019 1.00 0.00 O ATOM 0 H GLY A 5 -6.750 12.680 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.628 12.513 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.675 12.177 -8.599 1.00 0.00 H new ATOM 59 N ALA A 6 -9.420 10.210 -6.123 1.00 0.00 N ATOM 60 CA ALA A 6 -9.501 8.839 -5.706 1.00 0.00 C ATOM 61 C ALA A 6 -10.718 8.150 -6.257 1.00 0.00 C ATOM 62 O ALA A 6 -11.824 8.714 -6.267 1.00 0.00 O ATOM 63 CB ALA A 6 -9.434 8.712 -4.202 1.00 0.00 C ATOM 0 H ALA A 6 -9.866 10.874 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.630 8.332 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.498 7.660 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.492 9.126 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.264 9.258 -3.753 1.00 0.00 H new ATOM 69 N ALA A 7 -10.490 6.938 -6.725 1.00 0.00 N ATOM 70 CA ALA A 7 -11.502 6.067 -7.296 1.00 0.00 C ATOM 71 C ALA A 7 -12.598 5.721 -6.303 1.00 0.00 C ATOM 72 O ALA A 7 -12.506 6.022 -5.113 1.00 0.00 O ATOM 73 CB ALA A 7 -10.842 4.769 -7.687 1.00 0.00 C ATOM 0 H ALA A 7 -9.561 6.516 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.946 6.592 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.585 4.099 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.060 4.965 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.403 4.304 -6.804 1.00 0.00 H new ATOM 79 N ASP A 8 -13.618 5.072 -6.812 1.00 0.00 N ATOM 80 CA ASP A 8 -14.665 4.474 -6.004 1.00 0.00 C ATOM 81 C ASP A 8 -14.058 3.412 -5.134 1.00 0.00 C ATOM 82 O ASP A 8 -13.191 2.703 -5.585 1.00 0.00 O ATOM 83 CB ASP A 8 -15.754 3.915 -6.921 1.00 0.00 C ATOM 84 CG ASP A 8 -16.549 2.786 -6.344 1.00 0.00 C ATOM 85 OD1 ASP A 8 -17.425 3.022 -5.482 1.00 0.00 O ATOM 86 OD2 ASP A 8 -16.323 1.645 -6.748 1.00 0.00 O ATOM 0 H ASP A 8 -13.750 4.940 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.130 5.217 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.437 4.723 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.290 3.576 -7.847 1.00 0.00 H new ATOM 91 N LEU A 9 -14.489 3.308 -3.890 1.00 0.00 N ATOM 92 CA LEU A 9 -13.866 2.383 -2.942 1.00 0.00 C ATOM 93 C LEU A 9 -13.986 0.978 -3.419 1.00 0.00 C ATOM 94 O LEU A 9 -13.034 0.199 -3.381 1.00 0.00 O ATOM 95 CB LEU A 9 -14.541 2.424 -1.619 1.00 0.00 C ATOM 96 CG LEU A 9 -14.805 3.753 -0.993 1.00 0.00 C ATOM 97 CD1 LEU A 9 -15.245 3.478 0.371 1.00 0.00 C ATOM 98 CD2 LEU A 9 -13.593 4.639 -0.986 1.00 0.00 C ATOM 0 H LEU A 9 -15.265 3.848 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.824 2.691 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.497 1.909 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.938 1.843 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.559 4.292 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.454 4.418 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.149 2.869 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.461 2.941 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.842 5.592 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.793 4.157 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.263 4.812 -2.010 1.00 0.00 H new ATOM 110 N ASP A 10 -15.141 0.679 -3.915 1.00 0.00 N ATOM 111 CA ASP A 10 -15.456 -0.672 -4.386 1.00 0.00 C ATOM 112 C ASP A 10 -14.579 -1.009 -5.583 1.00 0.00 C ATOM 113 O ASP A 10 -14.277 -2.172 -5.844 1.00 0.00 O ATOM 114 CB ASP A 10 -16.949 -0.793 -4.696 1.00 0.00 C ATOM 115 CG ASP A 10 -17.397 -2.173 -5.117 1.00 0.00 C ATOM 116 OD1 ASP A 10 -17.559 -3.057 -4.260 1.00 0.00 O ATOM 117 OD2 ASP A 10 -17.643 -2.383 -6.335 1.00 0.00 O ATOM 0 H ASP A 10 -15.906 1.347 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.240 -1.400 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.515 -0.496 -3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.200 -0.087 -5.488 1.00 0.00 H new ATOM 122 N THR A 11 -14.122 0.035 -6.242 1.00 0.00 N ATOM 123 CA THR A 11 -13.214 -0.033 -7.291 1.00 0.00 C ATOM 124 C THR A 11 -11.786 -0.237 -6.734 1.00 0.00 C ATOM 125 O THR A 11 -11.107 -1.181 -7.124 1.00 0.00 O ATOM 126 CB THR A 11 -13.330 1.279 -8.087 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.470 1.277 -8.959 1.00 0.00 O ATOM 128 CG2 THR A 11 -12.065 1.676 -8.783 1.00 0.00 C ATOM 0 H THR A 11 -14.409 0.989 -6.024 1.00 0.00 H new ATOM 0 HA THR A 11 -13.427 -0.877 -7.947 1.00 0.00 H new ATOM 0 HB THR A 11 -13.498 2.063 -7.348 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.287 1.392 -8.430 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.224 2.610 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.272 1.813 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.776 0.895 -9.486 1.00 0.00 H new ATOM 136 N GLN A 12 -11.381 0.627 -5.775 1.00 0.00 N ATOM 137 CA GLN A 12 -10.032 0.627 -5.203 1.00 0.00 C ATOM 138 C GLN A 12 -9.630 -0.759 -4.724 1.00 0.00 C ATOM 139 O GLN A 12 -8.582 -1.256 -5.119 1.00 0.00 O ATOM 140 CB GLN A 12 -9.937 1.598 -4.034 1.00 0.00 C ATOM 141 CG GLN A 12 -10.543 2.960 -4.281 1.00 0.00 C ATOM 142 CD GLN A 12 -10.488 3.865 -3.071 1.00 0.00 C ATOM 143 OE1 GLN A 12 -10.424 3.412 -1.945 1.00 0.00 O ATOM 144 NE2 GLN A 12 -10.643 5.126 -3.280 1.00 0.00 N ATOM 0 H GLN A 12 -11.990 1.344 -5.380 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.352 0.940 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.428 1.151 -3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.887 1.727 -3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.020 3.439 -5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.582 2.838 -4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.694 5.482 -4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.715 5.769 -2.491 1.00 0.00 H new ATOM 153 N ARG A 13 -10.481 -1.372 -3.861 1.00 0.00 N ATOM 154 CA ARG A 13 -10.253 -2.745 -3.339 1.00 0.00 C ATOM 155 C ARG A 13 -9.837 -3.676 -4.455 1.00 0.00 C ATOM 156 O ARG A 13 -8.771 -4.253 -4.445 1.00 0.00 O ATOM 157 CB ARG A 13 -11.542 -3.363 -2.791 1.00 0.00 C ATOM 158 CG ARG A 13 -12.366 -2.495 -1.915 1.00 0.00 C ATOM 159 CD ARG A 13 -13.575 -3.239 -1.400 1.00 0.00 C ATOM 160 NE ARG A 13 -14.370 -3.845 -2.475 1.00 0.00 N ATOM 161 CZ ARG A 13 -15.227 -4.858 -2.296 1.00 0.00 C ATOM 162 NH1 ARG A 13 -15.453 -5.339 -1.071 1.00 0.00 N ATOM 163 NH2 ARG A 13 -15.859 -5.376 -3.332 1.00 0.00 N ATOM 0 H ARG A 13 -11.334 -0.935 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.492 -2.644 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.156 -3.679 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.280 -4.262 -2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.765 -2.144 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.686 -1.612 -2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.250 -4.019 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.203 -2.553 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.263 -3.471 -3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.972 -4.935 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.107 -6.111 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.694 -5.005 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.512 -6.148 -3.197 1.00 0.00 H new ATOM 177 N SER A 14 -10.696 -3.751 -5.417 1.00 0.00 N ATOM 178 CA SER A 14 -10.619 -4.657 -6.513 1.00 0.00 C ATOM 179 C SER A 14 -9.434 -4.370 -7.436 1.00 0.00 C ATOM 180 O SER A 14 -8.682 -5.284 -7.814 1.00 0.00 O ATOM 181 CB SER A 14 -11.913 -4.489 -7.240 1.00 0.00 C ATOM 182 OG SER A 14 -12.997 -4.910 -6.426 1.00 0.00 O ATOM 0 H SER A 14 -11.517 -3.147 -5.461 1.00 0.00 H new ATOM 0 HA SER A 14 -10.461 -5.677 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.046 -3.444 -7.522 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.897 -5.069 -8.163 1.00 0.00 H new ATOM 0 HG SER A 14 -13.519 -4.129 -6.147 1.00 0.00 H new ATOM 188 N ASP A 15 -9.263 -3.117 -7.763 1.00 0.00 N ATOM 189 CA ASP A 15 -8.239 -2.668 -8.686 1.00 0.00 C ATOM 190 C ASP A 15 -6.859 -2.904 -8.087 1.00 0.00 C ATOM 191 O ASP A 15 -5.935 -3.357 -8.759 1.00 0.00 O ATOM 192 CB ASP A 15 -8.462 -1.189 -8.978 1.00 0.00 C ATOM 193 CG ASP A 15 -7.717 -0.676 -10.181 1.00 0.00 C ATOM 194 OD1 ASP A 15 -7.387 -1.469 -11.100 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.481 0.535 -10.259 1.00 0.00 O ATOM 0 H ASP A 15 -9.839 -2.361 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.299 -3.230 -9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.528 -1.016 -9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.162 -0.609 -8.105 1.00 0.00 H new ATOM 200 N ILE A 16 -6.747 -2.659 -6.804 1.00 0.00 N ATOM 201 CA ILE A 16 -5.520 -2.868 -6.096 1.00 0.00 C ATOM 202 C ILE A 16 -5.281 -4.344 -5.832 1.00 0.00 C ATOM 203 O ILE A 16 -4.156 -4.815 -5.992 1.00 0.00 O ATOM 204 CB ILE A 16 -5.473 -2.032 -4.794 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.369 -0.533 -5.112 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.373 -2.476 -3.856 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.167 -0.155 -5.958 1.00 0.00 C ATOM 0 H ILE A 16 -7.510 -2.308 -6.225 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.705 -2.519 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.412 -2.207 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.276 -0.220 -5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.328 0.023 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.386 -1.856 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.530 -3.518 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.408 -2.375 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.171 0.920 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.252 -0.434 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.214 -0.680 -6.912 1.00 0.00 H new ATOM 219 N ALA A 17 -6.353 -5.089 -5.525 1.00 0.00 N ATOM 220 CA ALA A 17 -6.257 -6.533 -5.241 1.00 0.00 C ATOM 221 C ALA A 17 -5.646 -7.211 -6.425 1.00 0.00 C ATOM 222 O ALA A 17 -4.763 -8.055 -6.304 1.00 0.00 O ATOM 223 CB ALA A 17 -7.634 -7.130 -4.982 1.00 0.00 C ATOM 0 H ALA A 17 -7.301 -4.716 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.645 -6.679 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.536 -8.196 -4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.090 -6.635 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.263 -6.988 -5.860 1.00 0.00 H new ATOM 229 N THR A 18 -6.069 -6.743 -7.563 1.00 0.00 N ATOM 230 CA THR A 18 -5.665 -7.174 -8.828 1.00 0.00 C ATOM 231 C THR A 18 -4.154 -6.988 -9.045 1.00 0.00 C ATOM 232 O THR A 18 -3.484 -7.830 -9.624 1.00 0.00 O ATOM 233 CB THR A 18 -6.500 -6.372 -9.828 1.00 0.00 C ATOM 234 OG1 THR A 18 -7.851 -6.856 -9.878 1.00 0.00 O ATOM 235 CG2 THR A 18 -5.878 -6.236 -11.181 1.00 0.00 C ATOM 0 H THR A 18 -6.758 -5.993 -7.611 1.00 0.00 H new ATOM 0 HA THR A 18 -5.830 -8.244 -8.953 1.00 0.00 H new ATOM 0 HB THR A 18 -6.528 -5.350 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.383 -6.413 -9.185 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.535 -5.654 -11.827 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.917 -5.730 -11.090 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.727 -7.225 -11.613 1.00 0.00 H new ATOM 243 N LEU A 19 -3.625 -5.956 -8.530 1.00 0.00 N ATOM 244 CA LEU A 19 -2.254 -5.663 -8.733 1.00 0.00 C ATOM 245 C LEU A 19 -1.354 -6.369 -7.732 1.00 0.00 C ATOM 246 O LEU A 19 -0.155 -6.468 -7.929 1.00 0.00 O ATOM 247 CB LEU A 19 -2.089 -4.171 -8.805 1.00 0.00 C ATOM 248 CG LEU A 19 -2.782 -3.579 -10.036 1.00 0.00 C ATOM 249 CD1 LEU A 19 -2.899 -2.102 -9.941 1.00 0.00 C ATOM 250 CD2 LEU A 19 -2.045 -3.960 -11.313 1.00 0.00 C ATOM 0 H LEU A 19 -4.125 -5.281 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.918 -6.070 -9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.500 -3.716 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.028 -3.924 -8.832 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.787 -3.999 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.396 -1.718 -10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.483 -1.839 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.905 -1.663 -9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.558 -3.527 -12.172 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.024 -3.581 -11.271 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.025 -5.045 -11.412 1.00 0.00 H new ATOM 262 N LEU A 20 -1.955 -6.904 -6.689 1.00 0.00 N ATOM 263 CA LEU A 20 -1.214 -7.667 -5.681 1.00 0.00 C ATOM 264 C LEU A 20 -1.102 -9.107 -6.132 1.00 0.00 C ATOM 265 O LEU A 20 -0.181 -9.835 -5.743 1.00 0.00 O ATOM 266 CB LEU A 20 -1.963 -7.649 -4.358 1.00 0.00 C ATOM 267 CG LEU A 20 -2.534 -6.308 -3.959 1.00 0.00 C ATOM 268 CD1 LEU A 20 -3.254 -6.407 -2.632 1.00 0.00 C ATOM 269 CD2 LEU A 20 -1.466 -5.221 -3.916 1.00 0.00 C ATOM 0 H LEU A 20 -2.956 -6.829 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.228 -7.220 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.777 -8.371 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.287 -7.987 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.254 -6.021 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.657 -5.431 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.069 -7.127 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.555 -6.735 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.922 -4.275 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.699 -5.493 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.013 -5.117 -4.902 1.00 0.00 H new ATOM 281 N LYS A 21 -2.049 -9.512 -6.960 1.00 0.00 N ATOM 282 CA LYS A 21 -2.134 -10.866 -7.437 1.00 0.00 C ATOM 283 C LYS A 21 -1.376 -11.021 -8.731 1.00 0.00 C ATOM 284 O LYS A 21 -0.962 -12.126 -9.096 1.00 0.00 O ATOM 285 CB LYS A 21 -3.578 -11.276 -7.587 1.00 0.00 C ATOM 286 CG LYS A 21 -4.402 -10.308 -8.330 1.00 0.00 C ATOM 287 CD LYS A 21 -5.793 -10.820 -8.469 1.00 0.00 C ATOM 288 CE LYS A 21 -5.876 -11.964 -9.464 1.00 0.00 C ATOM 289 NZ LYS A 21 -7.273 -12.399 -9.682 1.00 0.00 N ATOM 0 H LYS A 21 -2.782 -8.900 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.672 -11.529 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.620 -12.239 -8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.009 -11.419 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.409 -9.350 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.971 -10.132 -9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.155 -11.156 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.448 -10.010 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.439 -11.653 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.285 -12.805 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.290 -13.181 -10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.682 -12.719 -8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.831 -11.603 -10.052 1.00 0.00 H new ATOM 303 N THR A 22 -1.191 -9.898 -9.402 1.00 0.00 N ATOM 304 CA THR A 22 -0.430 -9.772 -10.573 1.00 0.00 C ATOM 305 C THR A 22 0.954 -10.375 -10.409 1.00 0.00 C ATOM 306 O THR A 22 1.625 -10.219 -9.376 1.00 0.00 O ATOM 307 CB THR A 22 -0.360 -8.278 -10.929 1.00 0.00 C ATOM 308 OG1 THR A 22 -1.631 -7.815 -11.414 1.00 0.00 O ATOM 309 CG2 THR A 22 0.677 -8.007 -11.925 1.00 0.00 C ATOM 0 H THR A 22 -1.604 -9.014 -9.104 1.00 0.00 H new ATOM 0 HA THR A 22 -0.903 -10.325 -11.385 1.00 0.00 H new ATOM 0 HB THR A 22 -0.103 -7.740 -10.017 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.289 -7.847 -10.689 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.695 -6.941 -12.150 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.647 -8.312 -11.532 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.462 -8.567 -12.835 1.00 0.00 H new ATOM 317 N SER A 23 1.316 -11.099 -11.399 1.00 0.00 N ATOM 318 CA SER A 23 2.551 -11.744 -11.468 1.00 0.00 C ATOM 319 C SER A 23 3.673 -10.775 -11.835 1.00 0.00 C ATOM 320 O SER A 23 3.459 -9.764 -12.532 1.00 0.00 O ATOM 321 CB SER A 23 2.433 -12.840 -12.486 1.00 0.00 C ATOM 322 OG SER A 23 1.526 -13.847 -12.040 1.00 0.00 O ATOM 0 H SER A 23 0.726 -11.259 -12.215 1.00 0.00 H new ATOM 0 HA SER A 23 2.808 -12.155 -10.492 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.088 -12.427 -13.434 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.413 -13.281 -12.668 1.00 0.00 H new ATOM 0 HG SER A 23 1.461 -14.552 -12.718 1.00 0.00 H new ATOM 328 N LEU A 24 4.836 -11.068 -11.351 1.00 0.00 N ATOM 329 CA LEU A 24 5.988 -10.298 -11.613 1.00 0.00 C ATOM 330 C LEU A 24 6.979 -11.034 -12.474 1.00 0.00 C ATOM 331 O LEU A 24 6.832 -12.233 -12.728 1.00 0.00 O ATOM 332 CB LEU A 24 6.601 -9.789 -10.311 1.00 0.00 C ATOM 333 CG LEU A 24 6.698 -10.764 -9.142 1.00 0.00 C ATOM 334 CD1 LEU A 24 7.606 -11.888 -9.474 1.00 0.00 C ATOM 335 CD2 LEU A 24 7.177 -10.048 -7.918 1.00 0.00 C ATOM 0 H LEU A 24 5.006 -11.873 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 24 5.686 -9.426 -12.193 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.606 -9.430 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.020 -8.928 -9.981 1.00 0.00 H new ATOM 0 HG LEU A 24 5.707 -11.174 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.662 -12.573 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.224 -12.419 -10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.601 -11.500 -9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.244 -10.751 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.160 -9.618 -8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.476 -9.252 -7.664 1.00 0.00 H new ATOM 347 N ARG A 25 7.928 -10.314 -12.945 1.00 0.00 N ATOM 348 CA ARG A 25 9.017 -10.825 -13.709 1.00 0.00 C ATOM 349 C ARG A 25 10.243 -10.055 -13.332 1.00 0.00 C ATOM 350 O ARG A 25 10.132 -8.909 -12.882 1.00 0.00 O ATOM 351 CB ARG A 25 8.768 -10.743 -15.218 1.00 0.00 C ATOM 352 CG ARG A 25 8.337 -9.394 -15.722 1.00 0.00 C ATOM 353 CD ARG A 25 6.828 -9.198 -15.597 1.00 0.00 C ATOM 354 NE ARG A 25 6.437 -7.797 -15.761 1.00 0.00 N ATOM 355 CZ ARG A 25 5.323 -7.355 -16.345 1.00 0.00 C ATOM 356 NH1 ARG A 25 4.449 -8.210 -16.896 1.00 0.00 N ATOM 357 NH2 ARG A 25 5.073 -6.049 -16.362 1.00 0.00 N ATOM 0 H ARG A 25 7.974 -9.305 -12.805 1.00 0.00 H new ATOM 0 HA ARG A 25 9.140 -11.884 -13.484 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.682 -11.032 -15.737 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.005 -11.474 -15.485 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.853 -8.615 -15.161 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.633 -9.284 -16.765 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.321 -9.805 -16.347 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.497 -9.554 -14.622 1.00 0.00 H new ATOM 0 HE ARG A 25 7.077 -7.093 -15.394 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.632 -9.213 -16.872 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.601 -7.857 -17.339 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.730 -5.398 -15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.224 -5.698 -16.806 1.00 0.00 H new ATOM 371 N LYS A 26 11.397 -10.672 -13.456 1.00 0.00 N ATOM 372 CA LYS A 26 12.649 -10.014 -13.122 1.00 0.00 C ATOM 373 C LYS A 26 12.796 -8.710 -13.888 1.00 0.00 C ATOM 374 O LYS A 26 12.603 -8.661 -15.109 1.00 0.00 O ATOM 375 CB LYS A 26 13.853 -10.929 -13.366 1.00 0.00 C ATOM 376 CG LYS A 26 13.983 -11.489 -14.782 1.00 0.00 C ATOM 377 CD LYS A 26 15.277 -12.281 -14.949 1.00 0.00 C ATOM 378 CE LYS A 26 15.368 -13.440 -13.968 1.00 0.00 C ATOM 379 NZ LYS A 26 16.635 -14.193 -14.111 1.00 0.00 N ATOM 0 H LYS A 26 11.499 -11.632 -13.786 1.00 0.00 H new ATOM 0 HA LYS A 26 12.624 -9.785 -12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.761 -10.375 -13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.799 -11.765 -12.668 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.130 -12.132 -15.001 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.959 -10.671 -15.502 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.339 -12.663 -15.968 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.129 -11.617 -14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.286 -13.060 -12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.526 -14.114 -14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.655 -14.973 -13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.703 -14.579 -15.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.439 -13.557 -13.935 1.00 0.00 H new ATOM 393 N GLY A 27 13.080 -7.661 -13.170 1.00 0.00 N ATOM 394 CA GLY A 27 13.198 -6.377 -13.774 1.00 0.00 C ATOM 395 C GLY A 27 12.108 -5.427 -13.333 1.00 0.00 C ATOM 396 O GLY A 27 12.256 -4.211 -13.489 1.00 0.00 O ATOM 0 H GLY A 27 13.234 -7.676 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.170 -5.950 -13.526 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.165 -6.485 -14.858 1.00 0.00 H new ATOM 400 N ASP A 28 11.015 -5.962 -12.784 1.00 0.00 N ATOM 401 CA ASP A 28 9.901 -5.109 -12.327 1.00 0.00 C ATOM 402 C ASP A 28 10.280 -4.368 -11.081 1.00 0.00 C ATOM 403 O ASP A 28 10.940 -4.924 -10.187 1.00 0.00 O ATOM 404 CB ASP A 28 8.602 -5.879 -12.002 1.00 0.00 C ATOM 405 CG ASP A 28 7.925 -6.554 -13.154 1.00 0.00 C ATOM 406 OD1 ASP A 28 7.928 -6.012 -14.293 1.00 0.00 O ATOM 407 OD2 ASP A 28 7.357 -7.639 -12.942 1.00 0.00 O ATOM 0 H ASP A 28 10.872 -6.962 -12.644 1.00 0.00 H new ATOM 0 HA ASP A 28 9.710 -4.441 -13.167 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.831 -6.634 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.895 -5.183 -11.550 1.00 0.00 H new ATOM 412 N THR A 29 9.856 -3.147 -11.010 1.00 0.00 N ATOM 413 CA THR A 29 10.054 -2.335 -9.857 1.00 0.00 C ATOM 414 C THR A 29 8.782 -2.395 -9.035 1.00 0.00 C ATOM 415 O THR A 29 7.676 -2.286 -9.575 1.00 0.00 O ATOM 416 CB THR A 29 10.318 -0.867 -10.265 1.00 0.00 C ATOM 417 OG1 THR A 29 11.424 -0.798 -11.184 1.00 0.00 O ATOM 418 CG2 THR A 29 10.609 0.010 -9.050 1.00 0.00 C ATOM 0 H THR A 29 9.354 -2.680 -11.765 1.00 0.00 H new ATOM 0 HA THR A 29 10.913 -2.696 -9.292 1.00 0.00 H new ATOM 0 HB THR A 29 9.415 -0.493 -10.748 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.581 0.136 -11.437 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.790 1.034 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.755 -0.011 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.491 -0.367 -8.532 1.00 0.00 H new ATOM 426 N TRP A 30 8.937 -2.578 -7.776 1.00 0.00 N ATOM 427 CA TRP A 30 7.844 -2.649 -6.880 1.00 0.00 C ATOM 428 C TRP A 30 7.986 -1.558 -5.868 1.00 0.00 C ATOM 429 O TRP A 30 9.070 -1.296 -5.376 1.00 0.00 O ATOM 430 CB TRP A 30 7.741 -4.025 -6.224 1.00 0.00 C ATOM 431 CG TRP A 30 7.214 -5.103 -7.143 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.851 -5.675 -8.208 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.930 -5.736 -7.064 1.00 0.00 C ATOM 434 NE1 TRP A 30 7.029 -6.603 -8.805 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.844 -6.658 -8.114 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.849 -5.602 -6.210 1.00 0.00 C ATOM 437 CZ2 TRP A 30 4.700 -7.444 -8.323 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.727 -6.370 -6.414 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.657 -7.277 -7.456 1.00 0.00 C ATOM 0 H TRP A 30 9.848 -2.685 -7.330 1.00 0.00 H new ATOM 0 HA TRP A 30 6.914 -2.509 -7.430 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.726 -4.319 -5.862 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.090 -3.954 -5.353 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.852 -5.434 -8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.262 -7.160 -9.627 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.887 -4.900 -5.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.646 -8.152 -9.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.884 -6.263 -5.748 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.760 -7.865 -7.587 1.00 0.00 H new ATOM 450 N TYR A 31 6.928 -0.927 -5.585 1.00 0.00 N ATOM 451 CA TYR A 31 6.919 0.193 -4.700 1.00 0.00 C ATOM 452 C TYR A 31 6.500 -0.213 -3.326 1.00 0.00 C ATOM 453 O TYR A 31 5.436 -0.805 -3.142 1.00 0.00 O ATOM 454 CB TYR A 31 6.031 1.276 -5.237 1.00 0.00 C ATOM 455 CG TYR A 31 6.602 2.000 -6.430 1.00 0.00 C ATOM 456 CD1 TYR A 31 7.592 2.950 -6.264 1.00 0.00 C ATOM 457 CD2 TYR A 31 6.126 1.765 -7.712 1.00 0.00 C ATOM 458 CE1 TYR A 31 8.095 3.649 -7.337 1.00 0.00 C ATOM 459 CE2 TYR A 31 6.631 2.456 -8.794 1.00 0.00 C ATOM 460 CZ TYR A 31 7.610 3.397 -8.598 1.00 0.00 C ATOM 461 OH TYR A 31 8.090 4.106 -9.668 1.00 0.00 O ATOM 0 H TYR A 31 6.011 -1.166 -5.962 1.00 0.00 H new ATOM 0 HA TYR A 31 7.934 0.585 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.071 0.841 -5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.837 1.999 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.978 3.147 -5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.349 1.031 -7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.866 4.391 -7.189 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.258 2.258 -9.788 1.00 0.00 H new ATOM 0 HH TYR A 31 7.644 3.805 -10.487 1.00 0.00 H new ATOM 471 N LEU A 32 7.366 0.041 -2.386 1.00 0.00 N ATOM 472 CA LEU A 32 7.149 -0.299 -1.045 1.00 0.00 C ATOM 473 C LEU A 32 6.268 0.699 -0.304 1.00 0.00 C ATOM 474 O LEU A 32 6.377 1.918 -0.475 1.00 0.00 O ATOM 475 CB LEU A 32 8.482 -0.528 -0.349 1.00 0.00 C ATOM 476 CG LEU A 32 8.386 -1.188 0.966 1.00 0.00 C ATOM 477 CD1 LEU A 32 8.079 -2.563 0.681 1.00 0.00 C ATOM 478 CD2 LEU A 32 9.660 -1.120 1.706 1.00 0.00 C ATOM 0 H LEU A 32 8.259 0.503 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 32 6.584 -1.231 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.116 -1.132 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.980 0.433 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 32 7.633 -0.701 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.992 -3.118 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.137 -2.620 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.875 -2.995 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.548 -1.617 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.442 -1.615 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.933 -0.077 1.866 1.00 0.00 H new ATOM 490 N VAL A 33 5.398 0.131 0.498 1.00 0.00 N ATOM 491 CA VAL A 33 4.409 0.809 1.294 1.00 0.00 C ATOM 492 C VAL A 33 4.478 0.234 2.673 1.00 0.00 C ATOM 493 O VAL A 33 4.873 -0.899 2.836 1.00 0.00 O ATOM 494 CB VAL A 33 2.984 0.478 0.750 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.863 1.164 1.516 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.884 0.797 -0.684 1.00 0.00 C ATOM 0 H VAL A 33 5.362 -0.881 0.617 1.00 0.00 H new ATOM 0 HA VAL A 33 4.590 1.884 1.273 1.00 0.00 H new ATOM 0 HB VAL A 33 2.852 -0.594 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.903 0.887 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.892 0.852 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.990 2.245 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.882 0.558 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.079 1.859 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.616 0.211 -1.239 1.00 0.00 H new ATOM 506 N ASP A 34 4.151 1.014 3.639 1.00 0.00 N ATOM 507 CA ASP A 34 3.961 0.535 4.979 1.00 0.00 C ATOM 508 C ASP A 34 2.661 -0.265 5.034 1.00 0.00 C ATOM 509 O ASP A 34 1.632 0.160 4.492 1.00 0.00 O ATOM 510 CB ASP A 34 3.896 1.709 5.930 1.00 0.00 C ATOM 511 CG ASP A 34 3.362 1.356 7.277 1.00 0.00 C ATOM 512 OD1 ASP A 34 4.095 0.824 8.121 1.00 0.00 O ATOM 513 OD2 ASP A 34 2.197 1.630 7.513 1.00 0.00 O ATOM 0 H ASP A 34 4.004 2.017 3.530 1.00 0.00 H new ATOM 0 HA ASP A 34 4.793 -0.105 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.895 2.130 6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.270 2.487 5.492 1.00 0.00 H new ATOM 518 N SER A 35 2.700 -1.379 5.702 1.00 0.00 N ATOM 519 CA SER A 35 1.583 -2.290 5.748 1.00 0.00 C ATOM 520 C SER A 35 0.416 -1.694 6.537 1.00 0.00 C ATOM 521 O SER A 35 -0.747 -1.903 6.202 1.00 0.00 O ATOM 522 CB SER A 35 2.052 -3.593 6.382 1.00 0.00 C ATOM 523 OG SER A 35 0.997 -4.497 6.584 1.00 0.00 O ATOM 0 H SER A 35 3.512 -1.689 6.236 1.00 0.00 H new ATOM 0 HA SER A 35 1.224 -2.476 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.806 -4.054 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.531 -3.378 7.337 1.00 0.00 H new ATOM 0 HG SER A 35 1.260 -5.384 6.262 1.00 0.00 H new ATOM 529 N ARG A 36 0.738 -0.883 7.523 1.00 0.00 N ATOM 530 CA ARG A 36 -0.248 -0.323 8.426 1.00 0.00 C ATOM 531 C ARG A 36 -1.116 0.690 7.699 1.00 0.00 C ATOM 532 O ARG A 36 -2.307 0.824 7.993 1.00 0.00 O ATOM 533 CB ARG A 36 0.450 0.347 9.595 1.00 0.00 C ATOM 534 CG ARG A 36 1.398 -0.550 10.339 1.00 0.00 C ATOM 535 CD ARG A 36 2.101 0.197 11.450 1.00 0.00 C ATOM 536 NE ARG A 36 3.198 -0.585 12.010 1.00 0.00 N ATOM 537 CZ ARG A 36 3.574 -0.592 13.293 1.00 0.00 C ATOM 538 NH1 ARG A 36 2.888 0.101 14.206 1.00 0.00 N ATOM 539 NH2 ARG A 36 4.629 -1.303 13.663 1.00 0.00 N ATOM 0 H ARG A 36 1.695 -0.592 7.722 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.883 -1.129 8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.999 1.214 9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.303 0.718 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.851 -1.396 10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.136 -0.957 9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.485 1.143 11.068 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.386 0.438 12.237 1.00 0.00 H new ATOM 0 HE ARG A 36 3.723 -1.178 11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.069 0.642 13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.183 0.089 15.182 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.150 -1.841 12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.921 -1.312 14.640 1.00 0.00 H new ATOM 553 N TRP A 37 -0.521 1.407 6.754 1.00 0.00 N ATOM 554 CA TRP A 37 -1.258 2.367 5.952 1.00 0.00 C ATOM 555 C TRP A 37 -2.234 1.607 5.068 1.00 0.00 C ATOM 556 O TRP A 37 -3.409 1.953 4.959 1.00 0.00 O ATOM 557 CB TRP A 37 -0.295 3.240 5.091 1.00 0.00 C ATOM 558 CG TRP A 37 -1.008 4.201 4.157 1.00 0.00 C ATOM 559 CD1 TRP A 37 -1.346 5.507 4.391 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.480 3.901 2.840 1.00 0.00 C ATOM 561 NE1 TRP A 37 -2.004 6.023 3.299 1.00 0.00 N ATOM 562 CE2 TRP A 37 -2.104 5.053 2.340 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.439 2.758 2.046 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.685 5.089 1.075 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.005 2.787 0.812 1.00 0.00 C ATOM 566 CH2 TRP A 37 -2.629 3.944 0.326 1.00 0.00 C ATOM 0 H TRP A 37 0.471 1.340 6.526 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.803 3.045 6.608 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.356 3.809 5.755 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.346 2.584 4.502 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.128 6.051 5.298 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.360 6.975 3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.963 1.859 2.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.160 5.983 0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.974 1.902 0.194 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.074 3.932 -0.658 1.00 0.00 H new ATOM 577 N PHE A 38 -1.737 0.560 4.464 1.00 0.00 N ATOM 578 CA PHE A 38 -2.510 -0.260 3.582 1.00 0.00 C ATOM 579 C PHE A 38 -3.647 -0.976 4.342 1.00 0.00 C ATOM 580 O PHE A 38 -4.746 -1.082 3.832 1.00 0.00 O ATOM 581 CB PHE A 38 -1.589 -1.241 2.894 1.00 0.00 C ATOM 582 CG PHE A 38 -2.151 -1.860 1.645 1.00 0.00 C ATOM 583 CD1 PHE A 38 -2.874 -3.036 1.694 1.00 0.00 C ATOM 584 CD2 PHE A 38 -1.931 -1.266 0.417 1.00 0.00 C ATOM 585 CE1 PHE A 38 -3.365 -3.610 0.545 1.00 0.00 C ATOM 586 CE2 PHE A 38 -2.421 -1.832 -0.734 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.139 -3.007 -0.669 1.00 0.00 C ATOM 0 H PHE A 38 -0.771 0.252 4.575 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.987 0.364 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.659 -0.731 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.338 -2.036 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.056 -3.511 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.367 -0.346 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.926 -4.531 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.244 -1.358 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.524 -3.454 -1.573 1.00 0.00 H new ATOM 597 N LYS A 39 -3.379 -1.454 5.566 1.00 0.00 N ATOM 598 CA LYS A 39 -4.419 -2.063 6.399 1.00 0.00 C ATOM 599 C LYS A 39 -5.478 -1.062 6.780 1.00 0.00 C ATOM 600 O LYS A 39 -6.661 -1.395 6.868 1.00 0.00 O ATOM 601 CB LYS A 39 -3.815 -2.726 7.616 1.00 0.00 C ATOM 602 CG LYS A 39 -3.004 -3.948 7.242 1.00 0.00 C ATOM 603 CD LYS A 39 -2.301 -4.555 8.417 1.00 0.00 C ATOM 604 CE LYS A 39 -1.528 -5.790 7.981 1.00 0.00 C ATOM 605 NZ LYS A 39 -0.868 -6.474 9.109 1.00 0.00 N ATOM 0 H LYS A 39 -2.455 -1.430 5.997 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.909 -2.837 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.179 -2.013 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.609 -3.013 8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.662 -4.692 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.269 -3.674 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.620 -3.828 8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.026 -4.822 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.208 -6.484 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.777 -5.503 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.356 -7.308 8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.198 -5.823 9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.585 -6.774 9.800 1.00 0.00 H new ATOM 619 N GLN A 40 -5.061 0.171 6.960 1.00 0.00 N ATOM 620 CA GLN A 40 -5.936 1.240 7.230 1.00 0.00 C ATOM 621 C GLN A 40 -6.849 1.450 6.017 1.00 0.00 C ATOM 622 O GLN A 40 -8.066 1.611 6.161 1.00 0.00 O ATOM 623 CB GLN A 40 -5.086 2.450 7.465 1.00 0.00 C ATOM 624 CG GLN A 40 -5.828 3.654 7.841 1.00 0.00 C ATOM 625 CD GLN A 40 -6.464 3.528 9.177 1.00 0.00 C ATOM 626 OE1 GLN A 40 -7.643 3.031 9.205 1.00 0.00 O flip ATOM 627 NE2 GLN A 40 -5.871 3.871 10.194 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.079 0.443 6.918 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.562 1.044 8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.365 2.224 8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.516 2.659 6.560 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.152 4.509 7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.595 3.854 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.932 4.263 10.129 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.317 3.764 11.105 1.00 0.00 H new ATOM 636 N TRP A 41 -6.237 1.420 4.834 1.00 0.00 N ATOM 637 CA TRP A 41 -6.941 1.526 3.570 1.00 0.00 C ATOM 638 C TRP A 41 -7.927 0.382 3.416 1.00 0.00 C ATOM 639 O TRP A 41 -9.065 0.595 3.041 1.00 0.00 O ATOM 640 CB TRP A 41 -5.941 1.559 2.381 1.00 0.00 C ATOM 641 CG TRP A 41 -6.590 1.426 1.030 1.00 0.00 C ATOM 642 CD1 TRP A 41 -7.221 2.396 0.315 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.671 0.238 0.242 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.709 1.878 -0.854 1.00 0.00 N ATOM 645 CE2 TRP A 41 -7.376 0.558 -0.926 1.00 0.00 C ATOM 646 CE3 TRP A 41 -6.217 -1.063 0.417 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.638 -0.379 -1.909 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.478 -1.990 -0.560 1.00 0.00 C ATOM 649 CH2 TRP A 41 -7.184 -1.647 -1.708 1.00 0.00 C ATOM 0 H TRP A 41 -5.227 1.320 4.732 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.498 2.463 3.565 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.384 2.495 2.414 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.218 0.753 2.506 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.322 3.426 0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.236 2.396 -1.557 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.669 -1.340 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.183 -0.115 -2.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.129 -3.004 -0.435 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.376 -2.402 -2.456 1.00 0.00 H new ATOM 660 N LYS A 42 -7.490 -0.813 3.766 1.00 0.00 N ATOM 661 CA LYS A 42 -8.289 -2.015 3.646 1.00 0.00 C ATOM 662 C LYS A 42 -9.591 -1.912 4.410 1.00 0.00 C ATOM 663 O LYS A 42 -10.625 -2.354 3.941 1.00 0.00 O ATOM 664 CB LYS A 42 -7.480 -3.202 4.109 1.00 0.00 C ATOM 665 CG LYS A 42 -6.451 -3.697 3.087 1.00 0.00 C ATOM 666 CD LYS A 42 -5.286 -4.421 3.746 1.00 0.00 C ATOM 667 CE LYS A 42 -5.729 -5.355 4.833 1.00 0.00 C ATOM 668 NZ LYS A 42 -6.380 -6.573 4.325 1.00 0.00 N ATOM 0 H LYS A 42 -6.558 -0.977 4.146 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.555 -2.146 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.962 -2.937 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.160 -4.020 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.939 -4.367 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.073 -2.849 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.738 -4.983 2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.595 -3.687 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.865 -5.637 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.420 -4.831 5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.298 -6.699 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.527 -6.486 3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.775 -7.397 4.519 1.00 0.00 H new ATOM 682 N LYS A 43 -9.528 -1.324 5.551 1.00 0.00 N ATOM 683 CA LYS A 43 -10.707 -1.104 6.379 1.00 0.00 C ATOM 684 C LYS A 43 -11.596 -0.038 5.841 1.00 0.00 C ATOM 685 O LYS A 43 -12.823 -0.170 5.835 1.00 0.00 O ATOM 686 CB LYS A 43 -10.254 -0.750 7.742 1.00 0.00 C ATOM 687 CG LYS A 43 -9.733 -1.947 8.408 1.00 0.00 C ATOM 688 CD LYS A 43 -8.950 -1.643 9.624 1.00 0.00 C ATOM 689 CE LYS A 43 -8.812 -2.891 10.432 1.00 0.00 C ATOM 690 NZ LYS A 43 -8.294 -4.040 9.646 1.00 0.00 N ATOM 0 H LYS A 43 -8.661 -0.972 5.958 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.297 -2.020 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.482 0.017 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.082 -0.333 8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.566 -2.599 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.106 -2.500 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.967 -1.258 9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.446 -0.868 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.143 -2.701 11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.783 -3.154 10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.204 -4.871 10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.952 -4.255 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.362 -3.799 9.252 1.00 0.00 H new ATOM 704 N TYR A 44 -10.982 0.989 5.362 1.00 0.00 N ATOM 705 CA TYR A 44 -11.672 2.132 4.863 1.00 0.00 C ATOM 706 C TYR A 44 -12.413 1.778 3.571 1.00 0.00 C ATOM 707 O TYR A 44 -13.510 2.241 3.324 1.00 0.00 O ATOM 708 CB TYR A 44 -10.639 3.277 4.650 1.00 0.00 C ATOM 709 CG TYR A 44 -10.704 4.007 3.327 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.572 5.069 3.107 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.882 3.613 2.295 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.603 5.700 1.876 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.907 4.230 1.088 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.755 5.261 0.871 1.00 0.00 C ATOM 715 OH TYR A 44 -10.767 5.843 -0.374 1.00 0.00 O ATOM 0 H TYR A 44 -9.966 1.061 5.304 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.423 2.469 5.577 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.769 4.007 5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.638 2.859 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.225 5.403 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.199 2.791 2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.279 6.524 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.249 3.898 0.299 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.247 6.696 -0.332 1.00 0.00 H new ATOM 725 N VAL A 45 -11.795 0.967 2.764 1.00 0.00 N ATOM 726 CA VAL A 45 -12.318 0.614 1.507 1.00 0.00 C ATOM 727 C VAL A 45 -13.244 -0.629 1.577 1.00 0.00 C ATOM 728 O VAL A 45 -14.037 -0.860 0.674 1.00 0.00 O ATOM 729 CB VAL A 45 -11.146 0.352 0.559 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.484 -0.957 0.740 1.00 0.00 C ATOM 731 CG2 VAL A 45 -11.483 0.612 -0.795 1.00 0.00 C ATOM 0 H VAL A 45 -10.898 0.532 2.979 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.935 1.436 1.143 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.387 1.078 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.667 -1.053 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.090 -1.028 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.207 -1.756 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.620 0.412 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.310 -0.032 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.778 1.656 -0.903 1.00 0.00 H new ATOM 741 N GLY A 46 -13.152 -1.405 2.655 1.00 0.00 N ATOM 742 CA GLY A 46 -13.900 -2.630 2.736 1.00 0.00 C ATOM 743 C GLY A 46 -13.200 -3.775 2.029 1.00 0.00 C ATOM 744 O GLY A 46 -13.849 -4.694 1.499 1.00 0.00 O ATOM 0 H GLY A 46 -12.571 -1.200 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.054 -2.891 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.886 -2.482 2.296 1.00 0.00 H new ATOM 748 N PHE A 47 -11.877 -3.693 1.972 1.00 0.00 N ATOM 749 CA PHE A 47 -11.041 -4.732 1.408 1.00 0.00 C ATOM 750 C PHE A 47 -11.034 -5.893 2.379 1.00 0.00 C ATOM 751 O PHE A 47 -11.047 -7.059 1.974 1.00 0.00 O ATOM 752 CB PHE A 47 -9.622 -4.197 1.226 1.00 0.00 C ATOM 753 CG PHE A 47 -8.680 -5.077 0.473 1.00 0.00 C ATOM 754 CD1 PHE A 47 -7.939 -6.043 1.119 1.00 0.00 C ATOM 755 CD2 PHE A 47 -8.524 -4.915 -0.875 1.00 0.00 C ATOM 756 CE1 PHE A 47 -7.055 -6.840 0.422 1.00 0.00 C ATOM 757 CE2 PHE A 47 -7.647 -5.699 -1.585 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.910 -6.667 -0.939 1.00 0.00 C ATOM 0 H PHE A 47 -11.353 -2.891 2.322 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.420 -5.052 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.680 -3.238 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.199 -4.005 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.052 -6.178 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.099 -4.159 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.480 -7.595 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.535 -5.556 -2.650 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.222 -7.287 -1.495 1.00 0.00 H new ATOM 768 N ASP A 48 -11.008 -5.563 3.667 1.00 0.00 N ATOM 769 CA ASP A 48 -11.124 -6.576 4.689 1.00 0.00 C ATOM 770 C ASP A 48 -12.549 -7.016 4.707 1.00 0.00 C ATOM 771 O ASP A 48 -13.429 -6.241 5.048 1.00 0.00 O ATOM 772 CB ASP A 48 -10.750 -6.083 6.109 1.00 0.00 C ATOM 773 CG ASP A 48 -9.283 -5.842 6.352 1.00 0.00 C ATOM 774 OD1 ASP A 48 -8.461 -6.597 5.832 1.00 0.00 O ATOM 775 OD2 ASP A 48 -8.928 -4.926 7.130 1.00 0.00 O ATOM 0 H ASP A 48 -10.908 -4.610 4.017 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.425 -7.376 4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.289 -5.156 6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.104 -6.817 6.833 1.00 0.00 H new ATOM 780 N SER A 49 -12.792 -8.221 4.292 1.00 0.00 N ATOM 781 CA SER A 49 -14.125 -8.766 4.283 1.00 0.00 C ATOM 782 C SER A 49 -14.681 -8.798 5.715 1.00 0.00 C ATOM 783 O SER A 49 -15.854 -8.483 5.963 1.00 0.00 O ATOM 784 CB SER A 49 -14.057 -10.158 3.703 1.00 0.00 C ATOM 785 OG SER A 49 -13.314 -10.154 2.485 1.00 0.00 O ATOM 0 H SER A 49 -12.075 -8.859 3.948 1.00 0.00 H new ATOM 0 HA SER A 49 -14.790 -8.150 3.678 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.590 -10.835 4.419 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.064 -10.532 3.521 1.00 0.00 H new ATOM 0 HG SER A 49 -13.277 -11.063 2.121 1.00 0.00 H new ATOM 791 N TRP A 50 -13.800 -9.098 6.645 1.00 0.00 N ATOM 792 CA TRP A 50 -14.135 -9.195 8.041 1.00 0.00 C ATOM 793 C TRP A 50 -14.167 -7.824 8.699 1.00 0.00 C ATOM 794 O TRP A 50 -14.745 -7.667 9.772 1.00 0.00 O ATOM 795 CB TRP A 50 -13.130 -10.106 8.769 1.00 0.00 C ATOM 796 CG TRP A 50 -11.696 -9.635 8.696 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.045 -8.835 9.594 1.00 0.00 C ATOM 798 CD2 TRP A 50 -10.747 -9.938 7.668 1.00 0.00 C ATOM 799 NE1 TRP A 50 -9.751 -8.626 9.188 1.00 0.00 N ATOM 800 CE2 TRP A 50 -9.543 -9.294 8.005 1.00 0.00 C ATOM 801 CE3 TRP A 50 -10.803 -10.693 6.493 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -8.404 -9.387 7.210 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -9.676 -10.780 5.707 1.00 0.00 C ATOM 804 CH2 TRP A 50 -8.490 -10.133 6.067 1.00 0.00 C ATOM 0 H TRP A 50 -12.817 -9.283 6.445 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.132 -9.630 8.116 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -13.421 -10.184 9.816 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.193 -11.108 8.345 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.485 -8.427 10.492 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.057 -8.066 9.683 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -11.713 -11.199 6.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.486 -8.888 7.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.709 -11.359 4.796 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.623 -10.224 5.429 1.00 0.00 H new ATOM 815 N ASP A 51 -13.601 -6.822 8.047 1.00 0.00 N ATOM 816 CA ASP A 51 -13.516 -5.495 8.663 1.00 0.00 C ATOM 817 C ASP A 51 -13.756 -4.437 7.664 1.00 0.00 C ATOM 818 O ASP A 51 -12.853 -3.943 7.004 1.00 0.00 O ATOM 819 CB ASP A 51 -12.199 -5.267 9.401 1.00 0.00 C ATOM 820 CG ASP A 51 -12.239 -4.130 10.413 1.00 0.00 C ATOM 821 OD1 ASP A 51 -12.392 -2.946 10.052 1.00 0.00 O ATOM 822 OD2 ASP A 51 -12.058 -4.429 11.612 1.00 0.00 O ATOM 0 H ASP A 51 -13.200 -6.891 7.112 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.303 -5.447 9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.920 -6.187 9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.417 -5.061 8.670 1.00 0.00 H new ATOM 827 N LYS A 52 -14.992 -4.145 7.503 1.00 0.00 N ATOM 828 CA LYS A 52 -15.388 -3.162 6.571 1.00 0.00 C ATOM 829 C LYS A 52 -16.525 -2.373 7.109 1.00 0.00 C ATOM 830 O LYS A 52 -17.247 -1.675 6.400 1.00 0.00 O ATOM 831 CB LYS A 52 -15.703 -3.839 5.318 1.00 0.00 C ATOM 832 CG LYS A 52 -16.843 -4.804 5.361 1.00 0.00 C ATOM 833 CD LYS A 52 -16.919 -5.423 4.032 1.00 0.00 C ATOM 834 CE LYS A 52 -18.021 -6.467 3.924 1.00 0.00 C ATOM 835 NZ LYS A 52 -18.108 -7.047 2.563 1.00 0.00 N ATOM 0 H LYS A 52 -15.758 -4.582 8.015 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.589 -2.445 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.922 -3.082 4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.814 -4.373 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.683 -5.558 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.774 -4.293 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.087 -4.647 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.961 -5.888 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.838 -7.263 4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.977 -6.013 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.871 -7.753 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.309 -6.292 1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.205 -7.503 2.322 1.00 0.00 H new ATOM 849 N TYR A 53 -16.642 -2.476 8.392 1.00 0.00 N ATOM 850 CA TYR A 53 -17.570 -1.676 9.195 1.00 0.00 C ATOM 851 C TYR A 53 -17.187 -0.199 9.003 1.00 0.00 C ATOM 852 O TYR A 53 -18.015 0.710 9.077 1.00 0.00 O ATOM 853 CB TYR A 53 -17.385 -1.977 10.702 1.00 0.00 C ATOM 854 CG TYR A 53 -17.383 -3.431 11.128 1.00 0.00 C ATOM 855 CD1 TYR A 53 -16.208 -4.173 11.106 1.00 0.00 C ATOM 856 CD2 TYR A 53 -18.537 -4.050 11.592 1.00 0.00 C ATOM 857 CE1 TYR A 53 -16.184 -5.485 11.520 1.00 0.00 C ATOM 858 CE2 TYR A 53 -18.519 -5.367 12.014 1.00 0.00 C ATOM 859 CZ TYR A 53 -17.338 -6.078 11.975 1.00 0.00 C ATOM 860 OH TYR A 53 -17.315 -7.394 12.389 1.00 0.00 O ATOM 0 H TYR A 53 -16.089 -3.130 8.946 1.00 0.00 H new ATOM 0 HA TYR A 53 -18.592 -1.900 8.888 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -16.443 -1.531 11.021 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -18.180 -1.467 11.247 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -15.296 -3.711 10.757 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -19.462 -3.494 11.624 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -15.262 -6.047 11.488 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -19.424 -5.836 12.372 1.00 0.00 H new ATOM 0 HH TYR A 53 -18.211 -7.661 12.682 1.00 0.00 H new ATOM 870 N GLN A 54 -15.907 -0.007 8.733 1.00 0.00 N ATOM 871 CA GLN A 54 -15.277 1.262 8.623 1.00 0.00 C ATOM 872 C GLN A 54 -15.219 1.741 7.167 1.00 0.00 C ATOM 873 O GLN A 54 -14.524 2.691 6.859 1.00 0.00 O ATOM 874 CB GLN A 54 -13.862 1.123 9.160 1.00 0.00 C ATOM 875 CG GLN A 54 -13.784 0.423 10.530 1.00 0.00 C ATOM 876 CD GLN A 54 -12.517 0.692 11.280 1.00 0.00 C ATOM 877 OE1 GLN A 54 -11.521 -0.104 11.030 1.00 0.00 O flip ATOM 878 NE2 GLN A 54 -12.434 1.628 12.084 1.00 0.00 N flip ATOM 0 H GLN A 54 -15.262 -0.782 8.580 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.851 1.996 9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.264 0.563 8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.416 2.114 9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.629 0.743 11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.886 -0.652 10.383 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.240 2.230 12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.559 1.798 12.580 1.00 0.00 H new ATOM 887 N MET A 55 -15.937 1.081 6.292 1.00 0.00 N ATOM 888 CA MET A 55 -15.971 1.431 4.907 1.00 0.00 C ATOM 889 C MET A 55 -16.474 2.863 4.714 1.00 0.00 C ATOM 890 O MET A 55 -17.625 3.175 5.010 1.00 0.00 O ATOM 891 CB MET A 55 -16.853 0.466 4.143 1.00 0.00 C ATOM 892 CG MET A 55 -16.929 0.806 2.694 1.00 0.00 C ATOM 893 SD MET A 55 -18.175 -0.132 1.782 1.00 0.00 S ATOM 894 CE MET A 55 -17.598 -1.801 2.040 1.00 0.00 C ATOM 0 H MET A 55 -16.518 0.278 6.531 1.00 0.00 H new ATOM 0 HA MET A 55 -14.954 1.369 4.519 1.00 0.00 H new ATOM 0 HB2 MET A 55 -16.467 -0.547 4.258 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.856 0.475 4.571 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.144 1.870 2.592 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.954 0.632 2.239 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.443 -2.488 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 55 -16.881 -2.062 1.262 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.117 -1.873 3.016 1.00 0.00 H new ATOM 904 N GLY A 56 -15.588 3.713 4.252 1.00 0.00 N ATOM 905 CA GLY A 56 -15.901 5.094 4.010 1.00 0.00 C ATOM 906 C GLY A 56 -15.825 5.937 5.268 1.00 0.00 C ATOM 907 O GLY A 56 -16.128 7.141 5.233 1.00 0.00 O ATOM 0 H GLY A 56 -14.624 3.460 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.212 5.494 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.903 5.167 3.588 1.00 0.00 H new ATOM 911 N ASP A 57 -15.396 5.332 6.371 1.00 0.00 N ATOM 912 CA ASP A 57 -15.349 6.025 7.653 1.00 0.00 C ATOM 913 C ASP A 57 -14.161 6.956 7.675 1.00 0.00 C ATOM 914 O ASP A 57 -13.118 6.668 7.086 1.00 0.00 O ATOM 915 CB ASP A 57 -15.211 5.057 8.836 1.00 0.00 C ATOM 916 CG ASP A 57 -15.766 5.643 10.101 1.00 0.00 C ATOM 917 OD1 ASP A 57 -15.207 6.628 10.601 1.00 0.00 O ATOM 918 OD2 ASP A 57 -16.780 5.141 10.609 1.00 0.00 O ATOM 0 H ASP A 57 -15.076 4.364 6.403 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.288 6.569 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.731 4.127 8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.160 4.807 8.981 1.00 0.00 H new ATOM 923 N GLN A 58 -14.289 8.038 8.383 1.00 0.00 N ATOM 924 CA GLN A 58 -13.228 9.010 8.441 1.00 0.00 C ATOM 925 C GLN A 58 -12.224 8.599 9.479 1.00 0.00 C ATOM 926 O GLN A 58 -11.115 9.103 9.544 1.00 0.00 O ATOM 927 CB GLN A 58 -13.736 10.409 8.686 1.00 0.00 C ATOM 928 CG GLN A 58 -14.335 10.658 10.053 1.00 0.00 C ATOM 929 CD GLN A 58 -14.868 12.066 10.203 1.00 0.00 C ATOM 930 OE1 GLN A 58 -15.316 12.687 9.234 1.00 0.00 O ATOM 931 NE2 GLN A 58 -14.802 12.587 11.388 1.00 0.00 N ATOM 0 H GLN A 58 -15.117 8.274 8.931 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.742 9.035 7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.912 11.107 8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.488 10.640 7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.142 9.947 10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.579 10.476 10.816 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.426 12.043 12.164 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.127 13.541 11.544 1.00 0.00 H new ATOM 940 N ASN A 59 -12.627 7.675 10.294 1.00 0.00 N ATOM 941 CA ASN A 59 -11.750 7.096 11.282 1.00 0.00 C ATOM 942 C ASN A 59 -10.637 6.334 10.618 1.00 0.00 C ATOM 943 O ASN A 59 -9.539 6.194 11.155 1.00 0.00 O ATOM 944 CB ASN A 59 -12.513 6.159 12.219 1.00 0.00 C ATOM 945 CG ASN A 59 -13.262 6.860 13.337 1.00 0.00 C ATOM 946 OD1 ASN A 59 -12.707 7.124 14.401 1.00 0.00 O ATOM 947 ND2 ASN A 59 -14.512 7.133 13.124 1.00 0.00 N ATOM 0 H ASN A 59 -13.574 7.295 10.299 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.332 7.915 11.868 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.224 5.578 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.809 5.452 12.658 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.067 7.581 13.853 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.940 6.899 12.228 1.00 0.00 H new ATOM 954 N VAL A 60 -10.900 5.875 9.430 1.00 0.00 N ATOM 955 CA VAL A 60 -9.981 4.996 8.763 1.00 0.00 C ATOM 956 C VAL A 60 -9.479 5.529 7.481 1.00 0.00 C ATOM 957 O VAL A 60 -8.759 4.830 6.789 1.00 0.00 O ATOM 958 CB VAL A 60 -10.613 3.641 8.517 1.00 0.00 C ATOM 959 CG1 VAL A 60 -10.952 3.080 9.779 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.872 3.780 7.832 1.00 0.00 C ATOM 0 H VAL A 60 -11.744 6.094 8.901 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.129 4.902 9.436 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.912 3.040 7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.410 2.102 9.631 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.051 2.971 10.383 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.655 3.736 10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.307 2.794 7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.552 4.379 8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.712 4.272 6.873 1.00 0.00 H new ATOM 970 N TYR A 61 -9.869 6.732 7.148 1.00 0.00 N ATOM 971 CA TYR A 61 -9.384 7.321 5.910 1.00 0.00 C ATOM 972 C TYR A 61 -7.864 7.470 5.983 1.00 0.00 C ATOM 973 O TYR A 61 -7.337 8.092 6.914 1.00 0.00 O ATOM 974 CB TYR A 61 -10.094 8.661 5.480 1.00 0.00 C ATOM 975 CG TYR A 61 -9.611 9.969 6.112 1.00 0.00 C ATOM 976 CD1 TYR A 61 -8.499 10.646 5.607 1.00 0.00 C ATOM 977 CD2 TYR A 61 -10.272 10.532 7.172 1.00 0.00 C ATOM 978 CE1 TYR A 61 -8.074 11.835 6.168 1.00 0.00 C ATOM 979 CE2 TYR A 61 -9.862 11.716 7.735 1.00 0.00 C ATOM 980 CZ TYR A 61 -8.768 12.362 7.235 1.00 0.00 C ATOM 981 OH TYR A 61 -8.365 13.547 7.806 1.00 0.00 O ATOM 0 H TYR A 61 -10.503 7.316 7.694 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.652 6.629 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.997 8.758 4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.157 8.559 5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.963 10.234 4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -11.139 10.031 7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.207 12.346 5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.403 12.135 8.571 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.966 13.775 8.546 1.00 0.00 H new ATOM 991 N PRO A 62 -7.139 6.803 5.099 1.00 0.00 N ATOM 992 CA PRO A 62 -5.726 6.908 5.041 1.00 0.00 C ATOM 993 C PRO A 62 -5.332 8.035 4.145 1.00 0.00 C ATOM 994 O PRO A 62 -5.589 8.008 2.954 1.00 0.00 O ATOM 995 CB PRO A 62 -5.265 5.576 4.443 1.00 0.00 C ATOM 996 CG PRO A 62 -6.499 4.909 3.942 1.00 0.00 C ATOM 997 CD PRO A 62 -7.631 5.881 4.097 1.00 0.00 C ATOM 0 HA PRO A 62 -5.283 7.102 6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.551 5.736 3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.765 4.962 5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.382 4.620 2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.697 3.997 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.858 6.388 3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.546 5.385 4.420 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.801 9.043 4.739 1.00 0.00 N ATOM 1006 CA GLY A 63 -4.274 10.171 3.995 1.00 0.00 C ATOM 1007 C GLY A 63 -2.999 9.805 3.217 1.00 0.00 C ATOM 1008 O GLY A 63 -2.798 8.635 2.869 1.00 0.00 O ATOM 0 H GLY A 63 -4.711 9.126 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.032 10.532 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.057 10.989 4.682 1.00 0.00 H new ATOM 1012 N PRO A 64 -2.122 10.782 2.935 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.876 10.547 2.193 1.00 0.00 C ATOM 1014 C PRO A 64 -0.042 9.397 2.770 1.00 0.00 C ATOM 1015 O PRO A 64 0.099 9.242 4.004 1.00 0.00 O ATOM 1016 CB PRO A 64 -0.142 11.879 2.300 1.00 0.00 C ATOM 1017 CG PRO A 64 -1.240 12.868 2.426 1.00 0.00 C ATOM 1018 CD PRO A 64 -2.275 12.199 3.292 1.00 0.00 C ATOM 0 HA PRO A 64 -1.068 10.241 1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.522 11.904 3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.473 12.071 1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.886 13.794 2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.651 13.127 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.090 12.372 4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.280 12.565 3.079 1.00 0.00 H new ATOM 1026 N ILE A 65 0.479 8.597 1.869 1.00 0.00 N ATOM 1027 CA ILE A 65 1.226 7.398 2.187 1.00 0.00 C ATOM 1028 C ILE A 65 2.509 7.731 2.932 1.00 0.00 C ATOM 1029 O ILE A 65 3.432 8.335 2.367 1.00 0.00 O ATOM 1030 CB ILE A 65 1.593 6.629 0.903 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.339 6.417 0.048 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.223 5.291 1.279 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.603 5.881 -1.335 1.00 0.00 C ATOM 0 H ILE A 65 0.394 8.765 0.867 1.00 0.00 H new ATOM 0 HA ILE A 65 0.589 6.781 2.821 1.00 0.00 H new ATOM 0 HB ILE A 65 2.312 7.205 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.327 5.729 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.189 7.366 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.484 4.744 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.123 5.465 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.513 4.706 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.342 5.763 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.241 6.577 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.101 4.914 -1.262 1.00 0.00 H new ATOM 1045 N ASP A 66 2.548 7.376 4.188 1.00 0.00 N ATOM 1046 CA ASP A 66 3.721 7.576 5.008 1.00 0.00 C ATOM 1047 C ASP A 66 4.440 6.270 5.213 1.00 0.00 C ATOM 1048 O ASP A 66 3.899 5.330 5.821 1.00 0.00 O ATOM 1049 CB ASP A 66 3.361 8.186 6.360 1.00 0.00 C ATOM 1050 CG ASP A 66 4.534 8.199 7.315 1.00 0.00 C ATOM 1051 OD1 ASP A 66 5.429 9.032 7.160 1.00 0.00 O ATOM 1052 OD2 ASP A 66 4.572 7.359 8.244 1.00 0.00 O ATOM 0 H ASP A 66 1.767 6.938 4.677 1.00 0.00 H new ATOM 0 HA ASP A 66 4.376 8.273 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.004 9.205 6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.541 7.622 6.804 1.00 0.00 H new ATOM 1057 N ASN A 67 5.637 6.194 4.704 1.00 0.00 N ATOM 1058 CA ASN A 67 6.443 4.998 4.830 1.00 0.00 C ATOM 1059 C ASN A 67 7.645 5.247 5.745 1.00 0.00 C ATOM 1060 O ASN A 67 8.642 4.507 5.709 1.00 0.00 O ATOM 1061 CB ASN A 67 6.923 4.538 3.454 1.00 0.00 C ATOM 1062 CG ASN A 67 5.803 4.129 2.510 1.00 0.00 C ATOM 1063 OD1 ASN A 67 4.758 3.634 2.929 1.00 0.00 O ATOM 1064 ND2 ASN A 67 6.010 4.337 1.235 1.00 0.00 N ATOM 0 H ASN A 67 6.086 6.952 4.191 1.00 0.00 H new ATOM 0 HA ASN A 67 5.826 4.216 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.496 5.343 2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.602 3.695 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.293 4.087 0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.889 4.750 0.922 1.00 0.00 H new ATOM 1071 N SER A 68 7.520 6.231 6.624 1.00 0.00 N ATOM 1072 CA SER A 68 8.603 6.622 7.534 1.00 0.00 C ATOM 1073 C SER A 68 8.894 5.583 8.653 1.00 0.00 C ATOM 1074 O SER A 68 9.679 5.862 9.552 1.00 0.00 O ATOM 1075 CB SER A 68 8.278 7.973 8.169 1.00 0.00 C ATOM 1076 OG SER A 68 8.041 8.960 7.181 1.00 0.00 O ATOM 0 H SER A 68 6.670 6.784 6.731 1.00 0.00 H new ATOM 0 HA SER A 68 9.505 6.682 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.400 7.876 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.104 8.285 8.808 1.00 0.00 H new ATOM 0 HG SER A 68 7.152 9.351 7.315 1.00 0.00 H new ATOM 1082 N GLY A 69 8.301 4.397 8.590 1.00 0.00 N ATOM 1083 CA GLY A 69 8.570 3.412 9.632 1.00 0.00 C ATOM 1084 C GLY A 69 9.385 2.290 9.070 1.00 0.00 C ATOM 1085 O GLY A 69 9.816 1.364 9.768 1.00 0.00 O ATOM 0 H GLY A 69 7.655 4.100 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.102 3.881 10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.632 3.027 10.033 1.00 0.00 H new ATOM 1089 N LEU A 70 9.580 2.383 7.791 1.00 0.00 N ATOM 1090 CA LEU A 70 10.262 1.411 7.015 1.00 0.00 C ATOM 1091 C LEU A 70 11.682 1.839 6.799 1.00 0.00 C ATOM 1092 O LEU A 70 12.627 1.081 7.039 1.00 0.00 O ATOM 1093 CB LEU A 70 9.599 1.340 5.648 1.00 0.00 C ATOM 1094 CG LEU A 70 8.172 0.819 5.536 1.00 0.00 C ATOM 1095 CD1 LEU A 70 8.041 -0.582 5.936 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.159 1.571 6.286 1.00 0.00 C ATOM 0 H LEU A 70 9.251 3.177 7.241 1.00 0.00 H new ATOM 0 HA LEU A 70 10.230 0.451 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.615 2.344 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.226 0.715 5.012 1.00 0.00 H new ATOM 0 HG LEU A 70 7.977 0.947 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.002 -0.894 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.670 -1.203 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.353 -0.695 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.181 1.114 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.407 1.556 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.136 2.602 5.933 1.00 0.00 H new ATOM 1108 N LEU A 71 11.811 3.050 6.303 1.00 0.00 N ATOM 1109 CA LEU A 71 13.082 3.625 5.930 1.00 0.00 C ATOM 1110 C LEU A 71 14.068 3.724 7.074 1.00 0.00 C ATOM 1111 O LEU A 71 13.699 3.899 8.240 1.00 0.00 O ATOM 1112 CB LEU A 71 12.893 4.992 5.286 1.00 0.00 C ATOM 1113 CG LEU A 71 12.098 5.010 3.980 1.00 0.00 C ATOM 1114 CD1 LEU A 71 12.055 6.404 3.428 1.00 0.00 C ATOM 1115 CD2 LEU A 71 12.726 4.077 2.960 1.00 0.00 C ATOM 0 H LEU A 71 11.019 3.673 6.145 1.00 0.00 H new ATOM 0 HA LEU A 71 13.514 2.934 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.393 5.644 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.876 5.422 5.096 1.00 0.00 H new ATOM 0 HG LEU A 71 11.083 4.670 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.487 6.410 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.576 7.066 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.070 6.751 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.146 4.103 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.748 4.396 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.735 3.061 3.354 1.00 0.00 H new ATOM 1127 N LYS A 72 15.313 3.576 6.715 1.00 0.00 N ATOM 1128 CA LYS A 72 16.424 3.704 7.604 1.00 0.00 C ATOM 1129 C LYS A 72 16.786 5.175 7.734 1.00 0.00 C ATOM 1130 O LYS A 72 16.096 6.056 7.195 1.00 0.00 O ATOM 1131 CB LYS A 72 17.612 2.931 7.041 1.00 0.00 C ATOM 1132 CG LYS A 72 17.322 1.463 6.817 1.00 0.00 C ATOM 1133 CD LYS A 72 18.452 0.773 6.097 1.00 0.00 C ATOM 1134 CE LYS A 72 19.680 0.621 6.958 1.00 0.00 C ATOM 1135 NZ LYS A 72 20.763 -0.094 6.252 1.00 0.00 N ATOM 0 H LYS A 72 15.587 3.355 5.758 1.00 0.00 H new ATOM 0 HA LYS A 72 16.165 3.303 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.915 3.382 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.455 3.027 7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.151 0.976 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.404 1.358 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.120 -0.211 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.708 1.340 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.034 1.606 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.421 0.080 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.617 -0.104 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.465 -1.071 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.971 0.389 5.355 1.00 0.00 H new ATOM 1149 N ASP A 73 17.882 5.432 8.356 1.00 0.00 N ATOM 1150 CA ASP A 73 18.260 6.801 8.680 1.00 0.00 C ATOM 1151 C ASP A 73 19.046 7.451 7.562 1.00 0.00 C ATOM 1152 O ASP A 73 19.961 6.844 6.995 1.00 0.00 O ATOM 1153 CB ASP A 73 19.079 6.836 9.961 1.00 0.00 C ATOM 1154 CG ASP A 73 19.397 8.229 10.433 1.00 0.00 C ATOM 1155 OD1 ASP A 73 20.435 8.793 10.033 1.00 0.00 O ATOM 1156 OD2 ASP A 73 18.617 8.772 11.242 1.00 0.00 O ATOM 0 H ASP A 73 18.549 4.723 8.660 1.00 0.00 H new ATOM 0 HA ASP A 73 17.337 7.364 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.534 6.311 10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 73 20.011 6.293 9.802 1.00 0.00 H new ATOM 1161 N GLY A 74 18.654 8.657 7.211 1.00 0.00 N ATOM 1162 CA GLY A 74 19.401 9.454 6.261 1.00 0.00 C ATOM 1163 C GLY A 74 19.131 9.141 4.802 1.00 0.00 C ATOM 1164 O GLY A 74 18.760 10.040 4.033 1.00 0.00 O ATOM 0 H GLY A 74 17.815 9.110 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 74 19.177 10.506 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.465 9.318 6.454 1.00 0.00 H new ATOM 1168 N ASP A 75 19.304 7.878 4.421 1.00 0.00 N ATOM 1169 CA ASP A 75 19.184 7.444 3.007 1.00 0.00 C ATOM 1170 C ASP A 75 17.871 7.763 2.419 1.00 0.00 C ATOM 1171 O ASP A 75 17.760 8.317 1.335 1.00 0.00 O ATOM 1172 CB ASP A 75 19.458 5.953 2.808 1.00 0.00 C ATOM 1173 CG ASP A 75 20.853 5.518 3.180 1.00 0.00 C ATOM 1174 OD1 ASP A 75 21.093 5.160 4.354 1.00 0.00 O ATOM 1175 OD2 ASP A 75 21.737 5.514 2.313 1.00 0.00 O ATOM 0 H ASP A 75 19.530 7.122 5.068 1.00 0.00 H new ATOM 0 HA ASP A 75 19.955 8.014 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.743 5.383 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.279 5.700 1.763 1.00 0.00 H new ATOM 1180 N ALA A 76 16.918 7.388 3.148 1.00 0.00 N ATOM 1181 CA ALA A 76 15.479 7.492 2.833 1.00 0.00 C ATOM 1182 C ALA A 76 15.089 6.760 1.530 1.00 0.00 C ATOM 1183 O ALA A 76 14.013 6.955 0.990 1.00 0.00 O ATOM 1184 CB ALA A 76 15.066 8.926 2.775 1.00 0.00 C ATOM 0 H ALA A 76 17.081 6.961 4.060 1.00 0.00 H new ATOM 0 HA ALA A 76 14.943 6.991 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.003 8.989 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.255 9.398 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 76 15.638 9.438 2.002 1.00 0.00 H new ATOM 1190 N GLN A 77 15.976 5.943 1.044 1.00 0.00 N ATOM 1191 CA GLN A 77 15.758 5.126 -0.156 1.00 0.00 C ATOM 1192 C GLN A 77 16.016 3.724 0.235 1.00 0.00 C ATOM 1193 O GLN A 77 16.004 2.790 -0.576 1.00 0.00 O ATOM 1194 CB GLN A 77 16.776 5.526 -1.190 1.00 0.00 C ATOM 1195 CG GLN A 77 16.720 6.978 -1.506 1.00 0.00 C ATOM 1196 CD GLN A 77 15.515 7.350 -2.355 1.00 0.00 C ATOM 1197 OE1 GLN A 77 14.420 7.660 -1.730 1.00 0.00 O flip ATOM 1198 NE2 GLN A 77 15.571 7.335 -3.580 1.00 0.00 N flip ATOM 0 H GLN A 77 16.896 5.809 1.465 1.00 0.00 H new ATOM 0 HA GLN A 77 14.751 5.253 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.774 5.273 -0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.610 4.952 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.693 7.547 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.631 7.267 -2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.443 7.088 -4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.745 7.569 -4.131 1.00 0.00 H new ATOM 1207 N SER A 78 16.237 3.596 1.489 1.00 0.00 N ATOM 1208 CA SER A 78 16.661 2.374 2.063 1.00 0.00 C ATOM 1209 C SER A 78 15.813 2.075 3.255 1.00 0.00 C ATOM 1210 O SER A 78 15.698 2.906 4.148 1.00 0.00 O ATOM 1211 CB SER A 78 18.108 2.532 2.493 1.00 0.00 C ATOM 1212 OG SER A 78 18.905 3.028 1.423 1.00 0.00 O ATOM 0 H SER A 78 16.126 4.355 2.162 1.00 0.00 H new ATOM 0 HA SER A 78 16.570 1.559 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.167 3.213 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.499 1.571 2.828 1.00 0.00 H new ATOM 0 HG SER A 78 19.833 3.124 1.723 1.00 0.00 H new ATOM 1218 N LEU A 79 15.170 0.950 3.239 1.00 0.00 N ATOM 1219 CA LEU A 79 14.395 0.510 4.348 1.00 0.00 C ATOM 1220 C LEU A 79 15.135 -0.561 5.097 1.00 0.00 C ATOM 1221 O LEU A 79 16.098 -1.134 4.582 1.00 0.00 O ATOM 1222 CB LEU A 79 12.955 0.090 3.934 1.00 0.00 C ATOM 1223 CG LEU A 79 12.751 -1.156 3.039 1.00 0.00 C ATOM 1224 CD1 LEU A 79 13.681 -1.213 1.896 1.00 0.00 C ATOM 1225 CD2 LEU A 79 12.683 -2.463 3.805 1.00 0.00 C ATOM 0 H LEU A 79 15.170 0.308 2.447 1.00 0.00 H new ATOM 0 HA LEU A 79 14.255 1.349 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.385 -0.069 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.503 0.938 3.421 1.00 0.00 H new ATOM 0 HG LEU A 79 11.757 -1.024 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.483 -2.111 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.541 -0.333 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.707 -1.238 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.539 -3.287 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.613 -2.611 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.849 -2.431 4.506 1.00 0.00 H new ATOM 1237 N LYS A 80 14.701 -0.799 6.292 1.00 0.00 N ATOM 1238 CA LYS A 80 15.321 -1.750 7.181 1.00 0.00 C ATOM 1239 C LYS A 80 15.308 -3.156 6.602 1.00 0.00 C ATOM 1240 O LYS A 80 14.268 -3.760 6.386 1.00 0.00 O ATOM 1241 CB LYS A 80 14.693 -1.642 8.565 1.00 0.00 C ATOM 1242 CG LYS A 80 15.102 -0.353 9.273 1.00 0.00 C ATOM 1243 CD LYS A 80 14.330 -0.093 10.556 1.00 0.00 C ATOM 1244 CE LYS A 80 12.875 0.239 10.274 1.00 0.00 C ATOM 1245 NZ LYS A 80 12.146 0.639 11.492 1.00 0.00 N ATOM 0 H LYS A 80 13.888 -0.332 6.694 1.00 0.00 H new ATOM 0 HA LYS A 80 16.378 -1.509 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.607 -1.679 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.993 -2.499 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.167 -0.396 9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.956 0.487 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.386 -0.971 11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.793 0.730 11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.824 1.045 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.386 -0.628 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.200 0.985 11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.053 -0.180 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.670 1.395 11.978 1.00 0.00 H new ATOM 1259 N GLU A 81 16.484 -3.658 6.366 1.00 0.00 N ATOM 1260 CA GLU A 81 16.706 -4.917 5.678 1.00 0.00 C ATOM 1261 C GLU A 81 16.172 -6.160 6.408 1.00 0.00 C ATOM 1262 O GLU A 81 16.135 -7.252 5.830 1.00 0.00 O ATOM 1263 CB GLU A 81 18.181 -5.091 5.244 1.00 0.00 C ATOM 1264 CG GLU A 81 19.225 -4.789 6.317 1.00 0.00 C ATOM 1265 CD GLU A 81 19.493 -3.297 6.512 1.00 0.00 C ATOM 1266 OE1 GLU A 81 18.776 -2.647 7.282 1.00 0.00 O ATOM 1267 OE2 GLU A 81 20.432 -2.759 5.879 1.00 0.00 O ATOM 0 H GLU A 81 17.348 -3.197 6.651 1.00 0.00 H new ATOM 0 HA GLU A 81 16.096 -4.844 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.322 -6.117 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.368 -4.443 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.894 -5.216 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 81 20.159 -5.285 6.052 1.00 0.00 H new ATOM 1274 N HIS A 82 15.737 -6.005 7.645 1.00 0.00 N ATOM 1275 CA HIS A 82 15.191 -7.133 8.405 1.00 0.00 C ATOM 1276 C HIS A 82 13.665 -7.148 8.365 1.00 0.00 C ATOM 1277 O HIS A 82 13.028 -8.024 8.966 1.00 0.00 O ATOM 1278 CB HIS A 82 15.678 -7.131 9.863 1.00 0.00 C ATOM 1279 CG HIS A 82 17.152 -7.359 10.020 1.00 0.00 C ATOM 1280 ND1 HIS A 82 17.677 -8.517 10.526 1.00 0.00 N ATOM 1281 CD2 HIS A 82 18.214 -6.569 9.732 1.00 0.00 C ATOM 1282 CE1 HIS A 82 18.984 -8.434 10.542 1.00 0.00 C ATOM 1283 NE2 HIS A 82 19.331 -7.266 10.066 1.00 0.00 N ATOM 0 H HIS A 82 15.747 -5.118 8.149 1.00 0.00 H new ATOM 0 HA HIS A 82 15.560 -8.039 7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.419 -6.176 10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.142 -7.903 10.414 1.00 0.00 H new ATOM 0 HD2 HIS A 82 18.179 -5.573 9.316 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.661 -9.200 10.889 1.00 0.00 H new ATOM 0 HE2 HIS A 82 20.289 -6.932 9.962 1.00 0.00 H new ATOM 1292 N LEU A 83 13.087 -6.183 7.673 1.00 0.00 N ATOM 1293 CA LEU A 83 11.635 -6.076 7.543 1.00 0.00 C ATOM 1294 C LEU A 83 11.131 -7.096 6.531 1.00 0.00 C ATOM 1295 O LEU A 83 11.715 -7.268 5.441 1.00 0.00 O ATOM 1296 CB LEU A 83 11.242 -4.660 7.090 1.00 0.00 C ATOM 1297 CG LEU A 83 11.734 -3.474 7.922 1.00 0.00 C ATOM 1298 CD1 LEU A 83 11.175 -2.178 7.382 1.00 0.00 C ATOM 1299 CD2 LEU A 83 11.405 -3.625 9.375 1.00 0.00 C ATOM 0 H LEU A 83 13.604 -5.451 7.185 1.00 0.00 H new ATOM 0 HA LEU A 83 11.181 -6.274 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.603 -4.524 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.154 -4.612 7.052 1.00 0.00 H new ATOM 0 HG LEU A 83 12.821 -3.452 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.536 -1.346 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.499 -2.044 6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.086 -2.208 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.775 -2.759 9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.324 -3.698 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.876 -4.528 9.763 1.00 0.00 H new ATOM 1311 N ILE A 84 10.095 -7.786 6.902 1.00 0.00 N ATOM 1312 CA ILE A 84 9.461 -8.776 6.064 1.00 0.00 C ATOM 1313 C ILE A 84 8.381 -8.080 5.212 1.00 0.00 C ATOM 1314 O ILE A 84 8.129 -6.908 5.431 1.00 0.00 O ATOM 1315 CB ILE A 84 8.880 -9.920 6.970 1.00 0.00 C ATOM 1316 CG1 ILE A 84 10.030 -10.645 7.679 1.00 0.00 C ATOM 1317 CG2 ILE A 84 8.004 -10.901 6.211 1.00 0.00 C ATOM 1318 CD1 ILE A 84 9.592 -11.812 8.521 1.00 0.00 C ATOM 0 H ILE A 84 9.652 -7.679 7.815 1.00 0.00 H new ATOM 0 HA ILE A 84 10.174 -9.238 5.381 1.00 0.00 H new ATOM 0 HB ILE A 84 8.228 -9.451 7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.740 -10.997 6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.560 -9.933 8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 84 7.636 -11.665 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.160 -10.370 5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.587 -11.373 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.463 -12.271 8.988 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.906 -11.466 9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.089 -12.546 7.892 1.00 0.00 H new ATOM 1330 N ASP A 85 7.794 -8.804 4.229 1.00 0.00 N ATOM 1331 CA ASP A 85 6.739 -8.313 3.285 1.00 0.00 C ATOM 1332 C ASP A 85 5.458 -7.833 4.068 1.00 0.00 C ATOM 1333 O ASP A 85 5.620 -7.185 5.063 1.00 0.00 O ATOM 1334 CB ASP A 85 6.480 -9.431 2.243 1.00 0.00 C ATOM 1335 CG ASP A 85 5.488 -9.101 1.131 1.00 0.00 C ATOM 1336 OD1 ASP A 85 5.890 -8.568 0.078 1.00 0.00 O ATOM 1337 OD2 ASP A 85 4.286 -9.409 1.294 1.00 0.00 O ATOM 0 H ASP A 85 8.044 -9.778 4.059 1.00 0.00 H new ATOM 0 HA ASP A 85 7.068 -7.426 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.432 -9.699 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.121 -10.314 2.771 1.00 0.00 H new ATOM 1342 N GLU A 86 4.210 -8.111 3.606 1.00 0.00 N ATOM 1343 CA GLU A 86 2.929 -7.591 4.214 1.00 0.00 C ATOM 1344 C GLU A 86 2.835 -7.573 5.751 1.00 0.00 C ATOM 1345 O GLU A 86 1.984 -6.895 6.319 1.00 0.00 O ATOM 1346 CB GLU A 86 1.697 -8.199 3.550 1.00 0.00 C ATOM 1347 CG GLU A 86 1.478 -9.680 3.753 1.00 0.00 C ATOM 1348 CD GLU A 86 0.728 -9.976 5.013 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -0.484 -9.702 5.077 1.00 0.00 O ATOM 1350 OE2 GLU A 86 1.332 -10.482 5.960 1.00 0.00 O ATOM 0 H GLU A 86 4.050 -8.707 2.794 1.00 0.00 H new ATOM 0 HA GLU A 86 2.958 -6.527 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.817 -7.671 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.759 -8.008 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.929 -10.084 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.442 -10.187 3.779 1.00 0.00 H new ATOM 1357 N LEU A 87 3.667 -8.328 6.388 1.00 0.00 N ATOM 1358 CA LEU A 87 3.822 -8.288 7.822 1.00 0.00 C ATOM 1359 C LEU A 87 4.281 -6.895 8.252 1.00 0.00 C ATOM 1360 O LEU A 87 3.721 -6.283 9.171 1.00 0.00 O ATOM 1361 CB LEU A 87 4.891 -9.271 8.244 1.00 0.00 C ATOM 1362 CG LEU A 87 4.625 -10.731 7.931 1.00 0.00 C ATOM 1363 CD1 LEU A 87 5.648 -11.615 8.617 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.222 -11.142 8.338 1.00 0.00 C ATOM 0 H LEU A 87 4.274 -9.006 5.927 1.00 0.00 H new ATOM 0 HA LEU A 87 2.866 -8.536 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.827 -8.984 7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.040 -9.174 9.319 1.00 0.00 H new ATOM 0 HG LEU A 87 4.712 -10.858 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.442 -12.659 8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.647 -11.354 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.591 -11.468 9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.067 -12.194 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.095 -10.991 9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.494 -10.536 7.798 1.00 0.00 H new ATOM 1376 N ASP A 88 5.320 -6.413 7.613 1.00 0.00 N ATOM 1377 CA ASP A 88 5.866 -5.112 7.940 1.00 0.00 C ATOM 1378 C ASP A 88 5.511 -4.063 6.880 1.00 0.00 C ATOM 1379 O ASP A 88 5.053 -2.964 7.208 1.00 0.00 O ATOM 1380 CB ASP A 88 7.373 -5.196 8.085 1.00 0.00 C ATOM 1381 CG ASP A 88 7.904 -4.088 8.955 1.00 0.00 C ATOM 1382 OD1 ASP A 88 8.083 -2.964 8.493 1.00 0.00 O ATOM 1383 OD2 ASP A 88 8.114 -4.347 10.172 1.00 0.00 O ATOM 0 H ASP A 88 5.807 -6.901 6.862 1.00 0.00 H new ATOM 0 HA ASP A 88 5.422 -4.802 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.645 -6.160 8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.838 -5.142 7.101 1.00 0.00 H new ATOM 1388 N TYR A 89 5.669 -4.416 5.631 1.00 0.00 N ATOM 1389 CA TYR A 89 5.460 -3.485 4.525 1.00 0.00 C ATOM 1390 C TYR A 89 4.746 -4.162 3.388 1.00 0.00 C ATOM 1391 O TYR A 89 4.371 -5.253 3.521 1.00 0.00 O ATOM 1392 CB TYR A 89 6.802 -2.954 4.076 1.00 0.00 C ATOM 1393 CG TYR A 89 7.855 -4.004 3.687 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.648 -4.943 2.662 1.00 0.00 C ATOM 1395 CD2 TYR A 89 9.065 -4.020 4.325 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.625 -5.843 2.303 1.00 0.00 C ATOM 1397 CE2 TYR A 89 10.040 -4.920 3.970 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.825 -5.822 2.967 1.00 0.00 C ATOM 1399 OH TYR A 89 10.820 -6.718 2.644 1.00 0.00 O ATOM 0 H TYR A 89 5.946 -5.354 5.340 1.00 0.00 H new ATOM 0 HA TYR A 89 4.834 -2.657 4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.641 -2.298 3.221 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.212 -2.339 4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.700 -4.959 2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.257 -3.314 5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.450 -6.555 1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.987 -4.914 4.490 1.00 0.00 H new ATOM 0 HH TYR A 89 11.257 -7.031 3.463 1.00 0.00 H new ATOM 1409 N ILE A 90 4.527 -3.503 2.284 1.00 0.00 N ATOM 1410 CA ILE A 90 3.919 -4.143 1.154 1.00 0.00 C ATOM 1411 C ILE A 90 4.530 -3.619 -0.096 1.00 0.00 C ATOM 1412 O ILE A 90 5.001 -2.493 -0.137 1.00 0.00 O ATOM 1413 CB ILE A 90 2.399 -3.896 1.073 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.713 -4.121 2.397 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.770 -4.766 0.022 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.247 -4.200 2.271 1.00 0.00 C ATOM 0 H ILE A 90 4.762 -2.520 2.144 1.00 0.00 H new ATOM 0 HA ILE A 90 4.087 -5.214 1.271 1.00 0.00 H new ATOM 0 HB ILE A 90 2.267 -2.849 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.086 -5.043 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.972 -3.311 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.698 -4.573 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.213 -4.543 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.942 -5.814 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.194 -4.363 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.133 -3.268 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.018 -5.028 1.613 1.00 0.00 H new ATOM 1428 N LEU A 91 4.531 -4.439 -1.090 1.00 0.00 N ATOM 1429 CA LEU A 91 4.988 -4.082 -2.364 1.00 0.00 C ATOM 1430 C LEU A 91 3.871 -4.054 -3.351 1.00 0.00 C ATOM 1431 O LEU A 91 3.029 -4.950 -3.404 1.00 0.00 O ATOM 1432 CB LEU A 91 6.151 -4.952 -2.791 1.00 0.00 C ATOM 1433 CG LEU A 91 7.434 -4.605 -2.075 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.507 -5.528 -2.377 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.889 -3.268 -2.466 1.00 0.00 C ATOM 0 H LEU A 91 4.202 -5.402 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 91 5.374 -3.064 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.906 -5.997 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.301 -4.849 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 91 7.207 -4.655 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.405 -5.231 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.217 -6.534 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.708 -5.515 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.815 -3.031 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.064 -3.243 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.127 -2.534 -2.206 1.00 0.00 H new ATOM 1447 N LEU A 92 3.868 -3.013 -4.097 1.00 0.00 N ATOM 1448 CA LEU A 92 2.875 -2.746 -5.098 1.00 0.00 C ATOM 1449 C LEU A 92 3.582 -2.625 -6.405 1.00 0.00 C ATOM 1450 O LEU A 92 4.738 -2.224 -6.434 1.00 0.00 O ATOM 1451 CB LEU A 92 2.226 -1.391 -4.852 1.00 0.00 C ATOM 1452 CG LEU A 92 1.526 -1.149 -3.533 1.00 0.00 C ATOM 1453 CD1 LEU A 92 1.238 0.311 -3.456 1.00 0.00 C ATOM 1454 CD2 LEU A 92 0.214 -1.890 -3.453 1.00 0.00 C ATOM 0 H LEU A 92 4.582 -2.287 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 92 2.128 -3.539 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.999 -0.630 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.500 -1.223 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 92 2.162 -1.498 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.731 0.533 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.173 0.869 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.599 0.600 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.258 -1.691 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.443 -1.555 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.394 -2.960 -3.554 1.00 0.00 H new ATOM 1466 N PRO A 93 2.940 -2.956 -7.503 1.00 0.00 N ATOM 1467 CA PRO A 93 3.502 -2.715 -8.795 1.00 0.00 C ATOM 1468 C PRO A 93 3.360 -1.239 -9.096 1.00 0.00 C ATOM 1469 O PRO A 93 2.673 -0.514 -8.336 1.00 0.00 O ATOM 1470 CB PRO A 93 2.626 -3.519 -9.733 1.00 0.00 C ATOM 1471 CG PRO A 93 1.316 -3.546 -9.081 1.00 0.00 C ATOM 1472 CD PRO A 93 1.605 -3.579 -7.592 1.00 0.00 C ATOM 0 HA PRO A 93 4.554 -2.988 -8.880 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.569 -3.055 -10.718 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.018 -4.526 -9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.727 -2.668 -9.347 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.742 -4.420 -9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.860 -3.022 -7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.607 -4.597 -7.203 1.00 0.00 H new ATOM 1480 N THR A 94 4.010 -0.795 -10.133 1.00 0.00 N ATOM 1481 CA THR A 94 3.948 0.565 -10.600 1.00 0.00 C ATOM 1482 C THR A 94 2.526 1.183 -10.483 1.00 0.00 C ATOM 1483 O THR A 94 2.340 2.191 -9.796 1.00 0.00 O ATOM 1484 CB THR A 94 4.427 0.606 -12.056 1.00 0.00 C ATOM 1485 OG1 THR A 94 5.811 0.217 -12.128 1.00 0.00 O ATOM 1486 CG2 THR A 94 4.219 1.967 -12.657 1.00 0.00 C ATOM 0 H THR A 94 4.619 -1.388 -10.697 1.00 0.00 H new ATOM 0 HA THR A 94 4.595 1.168 -9.963 1.00 0.00 H new ATOM 0 HB THR A 94 3.834 -0.101 -12.636 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.110 0.244 -13.061 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.568 1.966 -13.690 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.158 2.217 -12.633 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.780 2.707 -12.085 1.00 0.00 H new ATOM 1494 N GLU A 95 1.541 0.526 -11.059 1.00 0.00 N ATOM 1495 CA GLU A 95 0.190 1.053 -11.095 1.00 0.00 C ATOM 1496 C GLU A 95 -0.467 1.012 -9.749 1.00 0.00 C ATOM 1497 O GLU A 95 -1.257 1.875 -9.433 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.608 0.292 -12.093 1.00 0.00 C ATOM 1499 CG GLU A 95 0.007 0.364 -13.446 1.00 0.00 C ATOM 1500 CD GLU A 95 0.016 1.764 -14.012 1.00 0.00 C ATOM 1501 OE1 GLU A 95 -0.991 2.158 -14.634 1.00 0.00 O ATOM 1502 OE2 GLU A 95 1.016 2.487 -13.856 1.00 0.00 O ATOM 0 H GLU A 95 1.651 -0.381 -11.512 1.00 0.00 H new ATOM 0 HA GLU A 95 0.241 2.102 -11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.686 -0.750 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.622 0.690 -12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.030 -0.009 -13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.538 -0.293 -14.123 1.00 0.00 H new ATOM 1509 N GLY A 96 -0.122 0.014 -8.958 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.649 -0.107 -7.628 1.00 0.00 C ATOM 1511 C GLY A 96 -0.300 1.116 -6.823 1.00 0.00 C ATOM 1512 O GLY A 96 -1.159 1.742 -6.226 1.00 0.00 O ATOM 0 H GLY A 96 0.527 -0.726 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.731 -0.230 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.244 -0.997 -7.147 1.00 0.00 H new ATOM 1516 N TRP A 97 0.950 1.487 -6.900 1.00 0.00 N ATOM 1517 CA TRP A 97 1.478 2.641 -6.226 1.00 0.00 C ATOM 1518 C TRP A 97 0.895 3.912 -6.829 1.00 0.00 C ATOM 1519 O TRP A 97 0.404 4.775 -6.107 1.00 0.00 O ATOM 1520 CB TRP A 97 2.971 2.628 -6.416 1.00 0.00 C ATOM 1521 CG TRP A 97 3.678 3.826 -5.907 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.176 4.844 -6.650 1.00 0.00 C ATOM 1523 CD2 TRP A 97 3.969 4.124 -4.555 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.784 5.762 -5.840 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.665 5.337 -4.533 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.710 3.472 -3.361 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.105 5.911 -3.344 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.138 4.031 -2.196 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.828 5.236 -2.184 1.00 0.00 C ATOM 0 H TRP A 97 1.646 0.981 -7.448 1.00 0.00 H new ATOM 0 HA TRP A 97 1.220 2.617 -5.167 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.377 1.747 -5.920 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.186 2.523 -7.479 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.103 4.919 -7.725 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.247 6.616 -6.150 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.176 2.533 -3.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.642 6.848 -3.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.937 3.527 -1.262 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.153 5.650 -1.241 1.00 0.00 H new ATOM 1540 N ASN A 98 0.957 4.009 -8.156 1.00 0.00 N ATOM 1541 CA ASN A 98 0.436 5.166 -8.893 1.00 0.00 C ATOM 1542 C ASN A 98 -1.008 5.475 -8.549 1.00 0.00 C ATOM 1543 O ASN A 98 -1.411 6.626 -8.581 1.00 0.00 O ATOM 1544 CB ASN A 98 0.565 5.009 -10.412 1.00 0.00 C ATOM 1545 CG ASN A 98 1.985 5.083 -10.910 1.00 0.00 C ATOM 1546 OD1 ASN A 98 2.848 5.747 -10.315 1.00 0.00 O ATOM 1547 ND2 ASN A 98 2.254 4.423 -11.996 1.00 0.00 N ATOM 0 H ASN A 98 1.368 3.291 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 98 1.060 6.001 -8.574 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.135 4.052 -10.707 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.023 5.786 -10.900 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.197 4.441 -12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.522 3.887 -12.461 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.778 4.446 -8.219 1.00 0.00 N ATOM 1555 CA LYS A 99 -3.137 4.588 -7.808 1.00 0.00 C ATOM 1556 C LYS A 99 -3.207 5.248 -6.499 1.00 0.00 C ATOM 1557 O LYS A 99 -3.785 6.293 -6.358 1.00 0.00 O ATOM 1558 CB LYS A 99 -3.752 3.210 -7.751 1.00 0.00 C ATOM 1559 CG LYS A 99 -4.194 2.781 -9.112 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.542 1.332 -9.199 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.495 0.913 -10.646 1.00 0.00 C ATOM 1562 NZ LYS A 99 -5.452 1.672 -11.465 1.00 0.00 N ATOM 0 H LYS A 99 -1.454 3.479 -8.235 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.686 5.209 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.028 2.498 -7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.602 3.212 -7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.061 3.372 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.401 2.999 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.842 0.739 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.535 1.156 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.487 1.060 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.714 -0.152 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.514 1.245 -12.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.389 1.651 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.131 2.658 -11.550 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.536 4.680 -5.575 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.542 5.122 -4.217 1.00 0.00 C ATOM 1578 C LEU A 100 -1.951 6.503 -4.064 1.00 0.00 C ATOM 1579 O LEU A 100 -2.405 7.304 -3.256 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.833 4.058 -3.464 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.525 2.732 -3.683 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -1.862 1.622 -3.051 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -3.968 2.797 -3.310 1.00 0.00 C ATOM 0 H LEU A 100 -1.944 3.866 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.550 5.251 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.795 3.996 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.817 4.300 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.462 2.540 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.416 0.705 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.851 1.529 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.817 1.790 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.432 1.826 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.060 3.063 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.468 3.550 -3.919 1.00 0.00 H new ATOM 1595 N VAL A 101 -1.003 6.797 -4.884 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.422 8.071 -4.936 1.00 0.00 C ATOM 1597 C VAL A 101 -1.326 9.069 -5.699 1.00 0.00 C ATOM 1598 O VAL A 101 -1.312 10.244 -5.430 1.00 0.00 O ATOM 1599 CB VAL A 101 0.997 7.958 -5.518 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.491 9.266 -6.036 1.00 0.00 C ATOM 1601 CG2 VAL A 101 1.928 7.444 -4.435 1.00 0.00 C ATOM 0 H VAL A 101 -0.608 6.133 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.330 8.479 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 101 0.972 7.266 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.497 9.142 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.826 9.620 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.512 9.994 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.939 7.359 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.927 8.138 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.588 6.465 -4.097 1.00 0.00 H new ATOM 1611 N SER A 102 -2.143 8.588 -6.581 1.00 0.00 N ATOM 1612 CA SER A 102 -3.040 9.468 -7.308 1.00 0.00 C ATOM 1613 C SER A 102 -4.263 9.768 -6.436 1.00 0.00 C ATOM 1614 O SER A 102 -4.821 10.862 -6.459 1.00 0.00 O ATOM 1615 CB SER A 102 -3.478 8.813 -8.621 1.00 0.00 C ATOM 1616 OG SER A 102 -4.165 9.722 -9.466 1.00 0.00 O ATOM 0 H SER A 102 -2.218 7.600 -6.823 1.00 0.00 H new ATOM 0 HA SER A 102 -2.522 10.398 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.603 8.425 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.123 7.962 -8.404 1.00 0.00 H new ATOM 0 HG SER A 102 -3.521 10.329 -9.886 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.644 8.779 -5.655 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.786 8.855 -4.799 1.00 0.00 C ATOM 1624 C TRP A 103 -5.471 9.618 -3.516 1.00 0.00 C ATOM 1625 O TRP A 103 -6.252 10.469 -3.087 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.293 7.431 -4.448 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.696 6.566 -5.637 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -6.984 6.971 -6.912 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.840 5.141 -5.644 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.309 5.887 -7.688 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -7.212 4.760 -6.943 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.688 4.156 -4.682 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.429 3.433 -7.299 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.901 2.841 -5.039 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -7.264 2.493 -6.339 1.00 0.00 C ATOM 0 H TRP A 103 -4.152 7.887 -5.604 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.565 9.395 -5.337 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.511 6.913 -3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.150 7.524 -3.781 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.959 7.994 -7.257 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.581 5.924 -8.670 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.408 4.413 -3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.718 3.163 -8.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.784 2.065 -4.297 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.417 1.453 -6.585 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.333 9.317 -2.907 1.00 0.00 N ATOM 1647 CA TYR A 104 -3.997 9.897 -1.618 1.00 0.00 C ATOM 1648 C TYR A 104 -2.623 10.535 -1.534 1.00 0.00 C ATOM 1649 O TYR A 104 -2.315 11.185 -0.527 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.166 8.864 -0.505 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.593 8.676 -0.096 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.293 9.734 0.464 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.244 7.458 -0.247 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.592 9.595 0.858 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -7.560 7.309 0.149 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.228 8.388 0.702 1.00 0.00 C ATOM 1657 OH TYR A 104 -9.536 8.259 1.103 1.00 0.00 O ATOM 0 H TYR A 104 -3.632 8.679 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.703 10.717 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.760 7.909 -0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.583 9.173 0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.800 10.687 0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.717 6.620 -0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.119 10.432 1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.062 6.360 0.028 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.854 7.355 0.896 1.00 0.00 H new ATOM 1667 N THR A 105 -1.833 10.437 -2.593 1.00 0.00 N ATOM 1668 CA THR A 105 -0.486 10.884 -2.650 1.00 0.00 C ATOM 1669 C THR A 105 0.469 10.276 -1.629 1.00 0.00 C ATOM 1670 O THR A 105 0.085 9.592 -0.685 1.00 0.00 O ATOM 1671 CB THR A 105 -0.317 12.404 -2.747 1.00 0.00 C ATOM 1672 OG1 THR A 105 -1.183 13.125 -1.865 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.427 12.906 -4.162 1.00 0.00 C ATOM 0 H THR A 105 -2.148 10.020 -3.469 1.00 0.00 H new ATOM 0 HA THR A 105 -0.172 10.471 -3.609 1.00 0.00 H new ATOM 0 HB THR A 105 0.701 12.603 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.375 12.578 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.300 13.988 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.347 12.442 -4.774 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.408 12.651 -4.563 1.00 0.00 H new ATOM 1681 N LEU A 106 1.706 10.502 -1.871 1.00 0.00 N ATOM 1682 CA LEU A 106 2.765 10.090 -1.021 1.00 0.00 C ATOM 1683 C LEU A 106 3.058 11.243 -0.063 1.00 0.00 C ATOM 1684 O LEU A 106 2.681 12.388 -0.345 1.00 0.00 O ATOM 1685 CB LEU A 106 3.980 9.792 -1.910 1.00 0.00 C ATOM 1686 CG LEU A 106 5.314 9.606 -1.210 1.00 0.00 C ATOM 1687 CD1 LEU A 106 5.358 8.367 -0.346 1.00 0.00 C ATOM 1688 CD2 LEU A 106 6.461 9.648 -2.180 1.00 0.00 C ATOM 0 H LEU A 106 2.025 11.000 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 106 2.517 9.199 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.768 8.889 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.084 10.606 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 106 5.423 10.453 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.336 8.288 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.587 8.431 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.182 7.486 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.399 9.511 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.345 8.851 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.472 10.612 -2.689 1.00 0.00 H new ATOM 1700 N MET A 107 3.647 10.956 1.067 1.00 0.00 N ATOM 1701 CA MET A 107 4.061 12.003 1.970 1.00 0.00 C ATOM 1702 C MET A 107 5.271 12.695 1.444 1.00 0.00 C ATOM 1703 O MET A 107 6.057 12.135 0.673 1.00 0.00 O ATOM 1704 CB MET A 107 4.367 11.484 3.346 1.00 0.00 C ATOM 1705 CG MET A 107 3.165 10.999 4.092 1.00 0.00 C ATOM 1706 SD MET A 107 2.216 12.295 4.888 1.00 0.00 S ATOM 1707 CE MET A 107 3.244 12.521 6.331 1.00 0.00 C ATOM 0 H MET A 107 3.852 10.009 1.386 1.00 0.00 H new ATOM 0 HA MET A 107 3.225 12.699 2.042 1.00 0.00 H new ATOM 0 HB2 MET A 107 5.085 10.668 3.265 1.00 0.00 H new ATOM 0 HB3 MET A 107 4.846 12.274 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 107 2.516 10.462 3.401 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.486 10.283 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 107 2.707 12.183 7.217 1.00 0.00 H new ATOM 0 HE2 MET A 107 4.160 11.941 6.219 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.493 13.577 6.438 1.00 0.00 H new ATOM 1717 N GLU A 108 5.429 13.877 1.881 1.00 0.00 N ATOM 1718 CA GLU A 108 6.490 14.693 1.491 1.00 0.00 C ATOM 1719 C GLU A 108 7.645 14.470 2.411 1.00 0.00 C ATOM 1720 O GLU A 108 7.465 14.027 3.545 1.00 0.00 O ATOM 1721 CB GLU A 108 6.013 16.109 1.484 1.00 0.00 C ATOM 1722 CG GLU A 108 5.471 16.610 2.809 1.00 0.00 C ATOM 1723 CD GLU A 108 4.979 18.018 2.705 1.00 0.00 C ATOM 1724 OE1 GLU A 108 3.839 18.225 2.254 1.00 0.00 O ATOM 1725 OE2 GLU A 108 5.724 18.944 3.069 1.00 0.00 O ATOM 0 H GLU A 108 4.795 14.317 2.547 1.00 0.00 H new ATOM 0 HA GLU A 108 6.836 14.453 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.838 16.753 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.234 16.210 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.658 15.963 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.252 16.552 3.568 1.00 0.00 H new ATOM 1732 N GLY A 109 8.820 14.708 1.922 1.00 0.00 N ATOM 1733 CA GLY A 109 9.973 14.453 2.702 1.00 0.00 C ATOM 1734 C GLY A 109 10.627 13.157 2.291 1.00 0.00 C ATOM 1735 O GLY A 109 11.843 13.001 2.391 1.00 0.00 O ATOM 0 H GLY A 109 8.999 15.077 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.681 15.274 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.701 14.409 3.757 1.00 0.00 H new ATOM 1739 N GLN A 110 9.819 12.228 1.814 1.00 0.00 N ATOM 1740 CA GLN A 110 10.280 10.958 1.374 1.00 0.00 C ATOM 1741 C GLN A 110 9.992 10.799 -0.107 1.00 0.00 C ATOM 1742 O GLN A 110 9.387 11.679 -0.722 1.00 0.00 O ATOM 1743 CB GLN A 110 9.628 9.845 2.190 1.00 0.00 C ATOM 1744 CG GLN A 110 8.109 9.872 2.235 1.00 0.00 C ATOM 1745 CD GLN A 110 7.553 8.817 3.147 1.00 0.00 C ATOM 1746 OE1 GLN A 110 7.279 7.695 2.743 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.372 9.158 4.369 1.00 0.00 N ATOM 0 H GLN A 110 8.810 12.353 1.727 1.00 0.00 H new ATOM 0 HA GLN A 110 11.357 10.890 1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 110 9.945 8.885 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 110 10.006 9.898 3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.774 10.854 2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.714 9.726 1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 110 7.610 10.101 4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 110 6.990 8.486 5.035 1.00 0.00 H new ATOM 1756 N GLU A 111 10.413 9.704 -0.662 1.00 0.00 N ATOM 1757 CA GLU A 111 10.256 9.411 -2.049 1.00 0.00 C ATOM 1758 C GLU A 111 9.785 7.984 -2.145 1.00 0.00 C ATOM 1759 O GLU A 111 9.919 7.246 -1.163 1.00 0.00 O ATOM 1760 CB GLU A 111 11.596 9.567 -2.777 1.00 0.00 C ATOM 1761 CG GLU A 111 12.139 10.984 -2.826 1.00 0.00 C ATOM 1762 CD GLU A 111 13.402 11.064 -3.635 1.00 0.00 C ATOM 1763 OE1 GLU A 111 13.361 10.758 -4.844 1.00 0.00 O ATOM 1764 OE2 GLU A 111 14.466 11.409 -3.078 1.00 0.00 O ATOM 0 H GLU A 111 10.891 8.967 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 111 9.542 10.093 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.333 8.928 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.482 9.202 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.388 11.647 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.332 11.335 -1.813 1.00 0.00 H new ATOM 1771 N PRO A 112 9.183 7.580 -3.280 1.00 0.00 N ATOM 1772 CA PRO A 112 8.741 6.218 -3.489 1.00 0.00 C ATOM 1773 C PRO A 112 9.842 5.277 -3.314 1.00 0.00 C ATOM 1774 O PRO A 112 10.894 5.362 -3.978 1.00 0.00 O ATOM 1775 CB PRO A 112 8.237 6.179 -4.915 1.00 0.00 C ATOM 1776 CG PRO A 112 7.958 7.593 -5.260 1.00 0.00 C ATOM 1777 CD PRO A 112 8.873 8.427 -4.424 1.00 0.00 C ATOM 0 HA PRO A 112 7.972 5.932 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 112 8.981 5.748 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.339 5.567 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.131 7.774 -6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.916 7.842 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.774 8.701 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.394 9.355 -4.114 1.00 0.00 H new ATOM 1785 N ILE A 113 9.610 4.399 -2.423 1.00 0.00 N ATOM 1786 CA ILE A 113 10.535 3.428 -2.102 1.00 0.00 C ATOM 1787 C ILE A 113 10.440 2.376 -3.148 1.00 0.00 C ATOM 1788 O ILE A 113 9.470 1.620 -3.198 1.00 0.00 O ATOM 1789 CB ILE A 113 10.217 2.802 -0.763 1.00 0.00 C ATOM 1790 CG1 ILE A 113 9.968 3.864 0.302 1.00 0.00 C ATOM 1791 CG2 ILE A 113 11.371 1.942 -0.369 1.00 0.00 C ATOM 1792 CD1 ILE A 113 9.569 3.280 1.630 1.00 0.00 C ATOM 0 H ILE A 113 8.742 4.346 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 113 11.531 3.868 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 113 9.306 2.209 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.871 4.461 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.185 4.540 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.166 1.478 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.520 1.167 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.271 2.553 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.406 4.085 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.650 2.706 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.362 2.626 1.993 1.00 0.00 H new ATOM 1804 N ALA A 114 11.387 2.348 -3.987 1.00 0.00 N ATOM 1805 CA ALA A 114 11.374 1.415 -5.031 1.00 0.00 C ATOM 1806 C ALA A 114 12.218 0.239 -4.697 1.00 0.00 C ATOM 1807 O ALA A 114 13.345 0.362 -4.219 1.00 0.00 O ATOM 1808 CB ALA A 114 11.781 2.043 -6.328 1.00 0.00 C ATOM 0 H ALA A 114 12.195 2.970 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 114 10.351 1.061 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.761 1.292 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.090 2.849 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.790 2.446 -6.236 1.00 0.00 H new ATOM 1814 N ARG A 115 11.642 -0.873 -4.871 1.00 0.00 N ATOM 1815 CA ARG A 115 12.232 -2.125 -4.698 1.00 0.00 C ATOM 1816 C ARG A 115 12.039 -2.824 -5.988 1.00 0.00 C ATOM 1817 O ARG A 115 11.517 -2.231 -6.928 1.00 0.00 O ATOM 1818 CB ARG A 115 11.538 -2.879 -3.563 1.00 0.00 C ATOM 1819 CG ARG A 115 11.733 -2.302 -2.189 1.00 0.00 C ATOM 1820 CD ARG A 115 13.166 -2.416 -1.712 1.00 0.00 C ATOM 1821 NE ARG A 115 14.121 -1.591 -2.475 1.00 0.00 N ATOM 1822 CZ ARG A 115 15.439 -1.801 -2.567 1.00 0.00 C ATOM 1823 NH1 ARG A 115 16.030 -2.778 -1.865 1.00 0.00 N ATOM 1824 NH2 ARG A 115 16.163 -1.015 -3.358 1.00 0.00 N ATOM 0 H ARG A 115 10.666 -0.936 -5.162 1.00 0.00 H new ATOM 0 HA ARG A 115 13.287 -2.054 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 115 10.469 -2.915 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 115 11.898 -3.908 -3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 115 11.437 -1.253 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 115 11.077 -2.816 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 115 13.212 -2.129 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.476 -3.459 -1.771 1.00 0.00 H new ATOM 0 HE ARG A 115 13.743 -0.788 -2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 115 15.474 -3.373 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 115 17.036 -2.927 -1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 115 15.712 -0.266 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 115 17.169 -1.161 -3.440 1.00 0.00 H new ATOM 1838 N LYS A 116 12.392 -4.025 -6.062 1.00 0.00 N ATOM 1839 CA LYS A 116 12.272 -4.722 -7.294 1.00 0.00 C ATOM 1840 C LYS A 116 12.109 -6.165 -7.034 1.00 0.00 C ATOM 1841 O LYS A 116 12.186 -6.615 -5.875 1.00 0.00 O ATOM 1842 CB LYS A 116 13.517 -4.502 -8.162 1.00 0.00 C ATOM 1843 CG LYS A 116 14.799 -4.933 -7.486 1.00 0.00 C ATOM 1844 CD LYS A 116 15.981 -4.809 -8.405 1.00 0.00 C ATOM 1845 CE LYS A 116 17.245 -5.254 -7.707 1.00 0.00 C ATOM 1846 NZ LYS A 116 18.410 -5.214 -8.603 1.00 0.00 N ATOM 0 H LYS A 116 12.773 -4.570 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 116 11.400 -4.340 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.403 -5.053 -9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.588 -3.446 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.964 -4.324 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.705 -5.966 -7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.820 -5.413 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.086 -3.775 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.428 -4.613 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.113 -6.268 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 19.257 -5.527 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.247 -5.845 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 18.552 -4.242 -8.944 1.00 0.00 H new ATOM 1860 N VAL A 117 11.865 -6.891 -8.078 1.00 0.00 N ATOM 1861 CA VAL A 117 11.842 -8.322 -7.986 1.00 0.00 C ATOM 1862 C VAL A 117 13.259 -8.764 -7.671 1.00 0.00 C ATOM 1863 O VAL A 117 14.233 -8.239 -8.222 1.00 0.00 O ATOM 1864 CB VAL A 117 11.379 -8.996 -9.288 1.00 0.00 C ATOM 1865 CG1 VAL A 117 11.170 -10.503 -9.105 1.00 0.00 C ATOM 1866 CG2 VAL A 117 10.140 -8.330 -9.835 1.00 0.00 C ATOM 0 H VAL A 117 11.678 -6.518 -9.009 1.00 0.00 H new ATOM 0 HA VAL A 117 11.130 -8.616 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 117 12.176 -8.870 -10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 117 10.843 -10.942 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 117 12.107 -10.965 -8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 117 10.411 -10.675 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.836 -8.828 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 117 9.336 -8.399 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 117 10.352 -7.281 -10.043 1.00 0.00 H new ATOM 1876 N VAL A 118 13.361 -9.687 -6.809 1.00 0.00 N ATOM 1877 CA VAL A 118 14.590 -10.140 -6.307 1.00 0.00 C ATOM 1878 C VAL A 118 15.207 -11.181 -7.205 1.00 0.00 C ATOM 1879 O VAL A 118 14.595 -11.637 -8.179 1.00 0.00 O ATOM 1880 CB VAL A 118 14.395 -10.727 -4.916 1.00 0.00 C ATOM 1881 CG1 VAL A 118 13.979 -9.655 -3.926 1.00 0.00 C ATOM 1882 CG2 VAL A 118 13.389 -11.868 -4.949 1.00 0.00 C ATOM 0 H VAL A 118 12.555 -10.171 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 118 15.265 -9.285 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 118 15.350 -11.132 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 118 13.847 -10.102 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 118 14.751 -8.887 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 118 13.040 -9.205 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.265 -12.273 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.430 -11.497 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 118 13.750 -12.652 -5.614 1.00 0.00 H new ATOM 1892 N GLU A 119 16.385 -11.582 -6.849 1.00 0.00 N ATOM 1893 CA GLU A 119 17.133 -12.559 -7.598 1.00 0.00 C ATOM 1894 C GLU A 119 17.003 -13.948 -6.977 1.00 0.00 C ATOM 1895 O GLU A 119 17.636 -14.920 -7.401 1.00 0.00 O ATOM 1896 CB GLU A 119 18.570 -12.065 -7.769 1.00 0.00 C ATOM 1897 CG GLU A 119 19.299 -11.610 -6.491 1.00 0.00 C ATOM 1898 CD GLU A 119 19.605 -12.712 -5.514 1.00 0.00 C ATOM 1899 OE1 GLU A 119 20.628 -13.401 -5.673 1.00 0.00 O ATOM 1900 OE2 GLU A 119 18.839 -12.902 -4.557 1.00 0.00 O ATOM 0 H GLU A 119 16.868 -11.239 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 119 16.720 -12.672 -8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 119 19.153 -12.864 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.563 -11.232 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 119 20.233 -11.126 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.690 -10.858 -5.990 1.00 0.00 H new ATOM 1907 N GLN A 120 16.151 -14.006 -5.991 1.00 0.00 N ATOM 1908 CA GLN A 120 15.805 -15.219 -5.288 1.00 0.00 C ATOM 1909 C GLN A 120 14.772 -15.948 -6.115 1.00 0.00 C ATOM 1910 O GLN A 120 15.012 -17.089 -6.544 1.00 0.00 O ATOM 1911 CB GLN A 120 15.220 -14.882 -3.911 1.00 0.00 C ATOM 1912 CG GLN A 120 16.109 -13.978 -3.066 1.00 0.00 C ATOM 1913 CD GLN A 120 15.473 -13.563 -1.755 1.00 0.00 C ATOM 1914 OE1 GLN A 120 14.676 -14.307 -1.162 1.00 0.00 O ATOM 1915 NE2 GLN A 120 15.794 -12.376 -1.303 1.00 0.00 N ATOM 1916 OXT GLN A 120 13.734 -15.335 -6.425 1.00 0.00 O ATOM 0 H GLN A 120 15.660 -13.184 -5.640 1.00 0.00 H new ATOM 0 HA GLN A 120 16.690 -15.838 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 120 14.252 -14.399 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 120 15.040 -15.809 -3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 120 17.047 -14.494 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 120 16.356 -13.085 -3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 120 16.453 -11.795 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 120 15.385 -12.033 -0.434 1.00 0.00 H new TER 1925 GLN A 120