USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 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 13 HIS : no HE2:sc= -2 X(o=-2.5,f=-2.7) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.458 X(o=-2.5,f=-2.7) USER MOD Set 2.1: A 44 THR OG1 : rot -92:sc= -0.0857 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 0.0849 USER MOD Set 3.1: A 25 TYR OH : rot 21:sc= 0.21 USER MOD Set 3.2: A 47 HIS : no HE2:sc= -2.38! C(o=-1.4!,f=-9.6!) USER MOD Set 3.3: A 79 THR OG1 : rot 95:sc= 0.803 USER MOD Set 4.1: A 12 GLN : amide:sc= -0.0674 X(o=-0.11,f=-0.02) USER MOD Set 4.2: A 43 ASN : amide:sc= -0.0378 K(o=-0.11,f=-1.7!) USER MOD Set 5.1: A 7 THR OG1 : rot -80:sc= 0.0202 USER MOD Set 5.2: A 8 HIS :FLIP no HD1:sc= -0.516 F(o=-1.3,f=-0.5) USER MOD Single : A 1 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.55) USER MOD Single : A 1 GLN N :NH3+ -133:sc= -0.104 (180deg=-0.596) USER MOD Single : A 3 ASN : amide:sc= -0.0439 X(o=-0.044,f=-0.044) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 8:sc= 0.212 USER MOD Single : A 14 TYR OH : rot -35:sc= 0.32 USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0812) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 89:sc= 0.435 USER MOD Single : A 30 MET CE :methyl -171:sc= -0.747 (180deg=-0.934) USER MOD Single : A 36 THR OG1 : rot 35:sc= 1.37 USER MOD Single : A 37 SER OG : rot 52:sc= 0.0498 USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.0118 (180deg=-0.206) USER MOD Single : A 49 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= -0.119 (180deg=-1.22) USER MOD Single : A 52 SER OG : rot -1:sc= 0.601 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.128 K(o=0.13,f=-1.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.373 K(o=-0.37,f=-3.1!) USER MOD Single : A 63 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.18) USER MOD Single : A 68 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.23) USER MOD Single : A 72 SER OG : rot 170:sc= 0.0912 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 109:sc= 0.432 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.0397 (180deg=-0.349) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.0882 F(o=-0.6,f=-0.088) USER MOD Single : A 87 SER OG : rot -93:sc= 0.331 USER MOD Single : A 93 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.021) USER MOD Single : A 94 TYR OH : rot 14:sc= 0.267 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.3!) USER MOD Single : A 109 ASN : amide:sc= -0.211 X(o=-0.21,f=0.033) USER MOD Single : A 114 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.4) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.171 -5.814 -2.418 1.00 0.00 N ATOM 2 CA GLN A 1 5.601 -6.037 -1.070 1.00 0.00 C ATOM 3 C GLN A 1 4.618 -4.965 -0.764 1.00 0.00 C ATOM 4 O GLN A 1 4.762 -3.831 -1.217 1.00 0.00 O ATOM 5 CB GLN A 1 6.681 -5.955 0.032 1.00 0.00 C ATOM 6 CG GLN A 1 7.534 -7.222 0.196 1.00 0.00 C ATOM 7 CD GLN A 1 8.485 -7.397 -0.988 1.00 0.00 C ATOM 8 OE1 GLN A 1 9.338 -6.543 -1.257 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.322 -8.552 -1.704 1.00 0.00 N ATOM 0 H1 GLN A 1 6.160 -6.707 -2.952 1.00 0.00 H new ATOM 0 H2 GLN A 1 5.604 -5.102 -2.921 1.00 0.00 H new ATOM 0 H3 GLN A 1 7.151 -5.476 -2.329 1.00 0.00 H new ATOM 0 HA GLN A 1 5.148 -7.028 -1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.341 -5.116 -0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.194 -5.737 0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.107 -7.162 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 1 6.885 -8.094 0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.601 -9.221 -1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 1 8.922 -8.744 -2.506 1.00 0.00 H new ATOM 20 N ASP A 2 3.607 -5.321 0.056 1.00 0.00 N ATOM 21 CA ASP A 2 2.664 -4.384 0.595 1.00 0.00 C ATOM 22 C ASP A 2 3.067 -4.143 2.018 1.00 0.00 C ATOM 23 O ASP A 2 2.371 -4.516 2.961 1.00 0.00 O ATOM 24 CB ASP A 2 1.190 -4.847 0.501 1.00 0.00 C ATOM 25 CG ASP A 2 1.013 -6.317 0.882 1.00 0.00 C ATOM 26 OD1 ASP A 2 1.325 -7.198 0.037 1.00 0.00 O ATOM 27 OD2 ASP A 2 0.527 -6.577 2.015 1.00 0.00 O ATOM 0 H ASP A 2 3.442 -6.283 0.351 1.00 0.00 H new ATOM 0 HA ASP A 2 2.694 -3.470 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.576 -4.229 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.828 -4.692 -0.515 1.00 0.00 H new ATOM 32 N ASN A 3 4.234 -3.483 2.187 1.00 0.00 N ATOM 33 CA ASN A 3 4.795 -3.206 3.473 1.00 0.00 C ATOM 34 C ASN A 3 4.660 -1.731 3.690 1.00 0.00 C ATOM 35 O ASN A 3 5.046 -1.206 4.729 1.00 0.00 O ATOM 36 CB ASN A 3 6.270 -3.635 3.580 1.00 0.00 C ATOM 37 CG ASN A 3 6.708 -3.718 5.036 1.00 0.00 C ATOM 38 OD1 ASN A 3 7.435 -2.856 5.546 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.273 -4.820 5.704 1.00 0.00 N ATOM 0 H ASN A 3 4.797 -3.136 1.410 1.00 0.00 H new ATOM 0 HA ASN A 3 4.266 -3.777 4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.407 -4.604 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.900 -2.923 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.545 -4.968 6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.675 -5.499 5.233 1.00 0.00 H new ATOM 46 N SER A 4 4.081 -1.022 2.701 1.00 0.00 N ATOM 47 CA SER A 4 3.716 0.356 2.881 1.00 0.00 C ATOM 48 C SER A 4 2.328 0.394 3.431 1.00 0.00 C ATOM 49 O SER A 4 1.966 1.349 4.112 1.00 0.00 O ATOM 50 CB SER A 4 3.726 1.163 1.575 1.00 0.00 C ATOM 51 OG SER A 4 5.031 1.161 1.014 1.00 0.00 O ATOM 0 H SER A 4 3.865 -1.400 1.778 1.00 0.00 H new ATOM 0 HA SER A 4 4.451 0.804 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.016 0.735 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.405 2.187 1.768 1.00 0.00 H new ATOM 0 HG SER A 4 5.029 1.676 0.180 1.00 0.00 H new ATOM 57 N ARG A 5 1.522 -0.653 3.145 1.00 0.00 N ATOM 58 CA ARG A 5 0.205 -0.817 3.697 1.00 0.00 C ATOM 59 C ARG A 5 0.323 -1.015 5.171 1.00 0.00 C ATOM 60 O ARG A 5 -0.355 -0.336 5.944 1.00 0.00 O ATOM 61 CB ARG A 5 -0.503 -2.068 3.152 1.00 0.00 C ATOM 62 CG ARG A 5 -1.135 -1.866 1.768 1.00 0.00 C ATOM 63 CD ARG A 5 -2.467 -1.112 1.817 1.00 0.00 C ATOM 64 NE ARG A 5 -3.449 -2.001 2.507 1.00 0.00 N ATOM 65 CZ ARG A 5 -4.560 -1.509 3.128 1.00 0.00 C ATOM 66 NH1 ARG A 5 -4.818 -0.170 3.145 1.00 0.00 N ATOM 67 NH2 ARG A 5 -5.424 -2.374 3.739 1.00 0.00 N ATOM 0 H ARG A 5 1.794 -1.406 2.513 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.366 0.072 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.215 -2.886 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.279 -2.371 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.438 -1.318 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.293 -2.839 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.357 -0.170 2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.809 -0.868 0.811 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.284 -3.008 2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.176 0.479 2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.653 0.183 3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.235 -3.376 3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.258 -2.017 4.206 1.00 0.00 H new ATOM 81 N TYR A 6 1.211 -1.954 5.562 1.00 0.00 N ATOM 82 CA TYR A 6 1.588 -2.269 6.873 1.00 0.00 C ATOM 83 C TYR A 6 2.057 -1.112 7.667 1.00 0.00 C ATOM 84 O TYR A 6 1.525 -0.874 8.742 1.00 0.00 O ATOM 85 CB TYR A 6 2.764 -3.213 6.730 1.00 0.00 C ATOM 86 CG TYR A 6 3.102 -3.706 8.050 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.162 -4.444 8.702 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.328 -3.475 8.613 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.479 -5.058 9.881 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.605 -3.978 9.858 1.00 0.00 C ATOM 91 CZ TYR A 6 3.688 -4.796 10.493 1.00 0.00 C ATOM 92 OH TYR A 6 3.967 -5.358 11.754 1.00 0.00 O ATOM 0 H TYR A 6 1.698 -2.534 4.879 1.00 0.00 H new ATOM 0 HA TYR A 6 0.720 -2.673 7.394 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.511 -4.040 6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.615 -2.697 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.169 -4.544 8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.072 -2.901 8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.783 -5.749 10.334 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.539 -3.736 10.343 1.00 0.00 H new ATOM 0 HH TYR A 6 4.859 -5.078 12.047 1.00 0.00 H new ATOM 102 N THR A 7 3.095 -0.405 7.187 1.00 0.00 N ATOM 103 CA THR A 7 3.640 0.686 7.917 1.00 0.00 C ATOM 104 C THR A 7 2.948 2.012 7.790 1.00 0.00 C ATOM 105 O THR A 7 3.354 2.954 8.465 1.00 0.00 O ATOM 106 CB THR A 7 5.088 0.941 7.673 1.00 0.00 C ATOM 107 OG1 THR A 7 5.281 1.573 6.415 1.00 0.00 O ATOM 108 CG2 THR A 7 5.935 -0.332 7.772 1.00 0.00 C ATOM 0 H THR A 7 3.553 -0.592 6.295 1.00 0.00 H new ATOM 0 HA THR A 7 3.472 0.307 8.925 1.00 0.00 H new ATOM 0 HB THR A 7 5.428 1.611 8.463 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.251 0.900 5.703 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.981 -0.088 7.586 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.834 -0.759 8.770 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.593 -1.055 7.031 1.00 0.00 H new ATOM 116 N HIS A 8 1.885 2.142 6.971 1.00 0.00 N ATOM 117 CA HIS A 8 1.075 3.333 7.037 1.00 0.00 C ATOM 118 C HIS A 8 0.049 3.122 8.106 1.00 0.00 C ATOM 119 O HIS A 8 -0.345 4.059 8.805 1.00 0.00 O ATOM 120 CB HIS A 8 0.414 3.724 5.712 1.00 0.00 C ATOM 121 CG HIS A 8 1.453 4.144 4.711 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.803 4.002 4.727 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 1.125 4.748 3.530 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 3.275 4.527 3.555 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 2.242 4.971 2.851 1.00 0.00 N flip ATOM 0 H HIS A 8 1.589 1.450 6.283 1.00 0.00 H new ATOM 0 HA HIS A 8 1.730 4.173 7.269 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.157 2.882 5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.291 4.539 5.877 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.127 5.001 3.205 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.311 4.572 3.254 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.298 5.413 1.934 1.00 0.00 H new ATOM 134 N PHE A 9 -0.351 1.843 8.269 1.00 0.00 N ATOM 135 CA PHE A 9 -1.094 1.371 9.403 1.00 0.00 C ATOM 136 C PHE A 9 -0.252 1.515 10.649 1.00 0.00 C ATOM 137 O PHE A 9 -0.787 1.941 11.668 1.00 0.00 O ATOM 138 CB PHE A 9 -1.597 -0.073 9.153 1.00 0.00 C ATOM 139 CG PHE A 9 -1.853 -0.901 10.370 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.815 -0.548 11.297 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.222 -2.129 10.488 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.090 -1.376 12.363 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.562 -3.002 11.504 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.473 -2.607 12.460 1.00 0.00 C ATOM 0 H PHE A 9 -0.150 1.112 7.587 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.988 1.976 9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.519 -0.019 8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.863 -0.590 8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.354 0.381 11.185 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.457 -2.407 9.779 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.789 -1.062 13.124 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.118 -3.985 11.549 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.705 -3.262 13.287 1.00 0.00 H new ATOM 154 N LEU A 10 1.069 1.203 10.602 1.00 0.00 N ATOM 155 CA LEU A 10 1.972 1.452 11.704 1.00 0.00 C ATOM 156 C LEU A 10 2.094 2.893 12.074 1.00 0.00 C ATOM 157 O LEU A 10 2.209 3.171 13.262 1.00 0.00 O ATOM 158 CB LEU A 10 3.478 1.152 11.551 1.00 0.00 C ATOM 159 CG LEU A 10 4.001 -0.297 11.537 1.00 0.00 C ATOM 160 CD1 LEU A 10 5.291 -0.317 12.348 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.099 -1.376 12.127 1.00 0.00 C ATOM 0 H LEU A 10 1.515 0.774 9.792 1.00 0.00 H new ATOM 0 HA LEU A 10 1.480 0.772 12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.803 1.618 10.621 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.990 1.669 12.363 1.00 0.00 H new ATOM 0 HG LEU A 10 4.097 -0.547 10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.696 -1.329 12.363 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.017 0.357 11.894 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.084 0.006 13.368 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.593 -2.345 12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.901 -1.151 13.175 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.158 -1.404 11.578 1.00 0.00 H new ATOM 173 N THR A 11 2.136 3.840 11.108 1.00 0.00 N ATOM 174 CA THR A 11 2.364 5.213 11.478 1.00 0.00 C ATOM 175 C THR A 11 1.186 5.759 12.198 1.00 0.00 C ATOM 176 O THR A 11 1.346 6.369 13.253 1.00 0.00 O ATOM 177 CB THR A 11 2.759 6.163 10.374 1.00 0.00 C ATOM 178 OG1 THR A 11 1.930 6.003 9.236 1.00 0.00 O ATOM 179 CG2 THR A 11 4.231 5.914 10.001 1.00 0.00 C ATOM 0 H THR A 11 2.017 3.667 10.110 1.00 0.00 H new ATOM 0 HA THR A 11 3.243 5.157 12.120 1.00 0.00 H new ATOM 0 HB THR A 11 2.635 7.186 10.729 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.195 5.391 9.450 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.525 6.597 9.204 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.861 6.083 10.874 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.351 4.885 9.661 1.00 0.00 H new ATOM 187 N GLN A 12 -0.025 5.517 11.671 1.00 0.00 N ATOM 188 CA GLN A 12 -1.187 6.101 12.273 1.00 0.00 C ATOM 189 C GLN A 12 -1.769 5.281 13.389 1.00 0.00 C ATOM 190 O GLN A 12 -2.699 5.742 14.050 1.00 0.00 O ATOM 191 CB GLN A 12 -2.234 6.513 11.225 1.00 0.00 C ATOM 192 CG GLN A 12 -3.099 5.391 10.654 1.00 0.00 C ATOM 193 CD GLN A 12 -3.823 5.966 9.438 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.674 5.471 8.316 1.00 0.00 O ATOM 195 NE2 GLN A 12 -4.614 7.054 9.688 1.00 0.00 N ATOM 0 H GLN A 12 -0.202 4.935 10.852 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.843 7.017 12.753 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.892 7.258 11.673 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.717 7.001 10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.485 4.536 10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.813 5.037 11.397 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.697 7.417 10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.121 7.502 8.925 1.00 0.00 H new ATOM 204 N HIS A 13 -1.230 4.063 13.639 1.00 0.00 N ATOM 205 CA HIS A 13 -1.667 3.270 14.751 1.00 0.00 C ATOM 206 C HIS A 13 -0.513 2.833 15.605 1.00 0.00 C ATOM 207 O HIS A 13 -0.475 3.199 16.770 1.00 0.00 O ATOM 208 CB HIS A 13 -2.499 2.041 14.357 1.00 0.00 C ATOM 209 CG HIS A 13 -3.736 2.404 13.600 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.948 2.518 14.220 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.929 2.669 12.291 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.856 2.827 13.309 1.00 0.00 C ATOM 213 NE2 HIS A 13 -5.266 2.923 12.126 1.00 0.00 N ATOM 0 H HIS A 13 -0.498 3.634 13.073 1.00 0.00 H new ATOM 0 HA HIS A 13 -2.320 3.932 15.320 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.888 1.373 13.750 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.776 1.491 15.256 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -5.123 2.387 15.216 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.173 2.679 11.519 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.909 2.977 13.499 1.00 0.00 H new ATOM 222 N TYR A 14 0.443 2.028 15.088 1.00 0.00 N ATOM 223 CA TYR A 14 1.407 1.349 15.924 1.00 0.00 C ATOM 224 C TYR A 14 2.355 2.310 16.586 1.00 0.00 C ATOM 225 O TYR A 14 3.108 3.022 15.925 1.00 0.00 O ATOM 226 CB TYR A 14 2.270 0.351 15.149 1.00 0.00 C ATOM 227 CG TYR A 14 3.051 -0.495 16.086 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.457 -1.419 16.928 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.423 -0.400 16.062 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.228 -2.144 17.812 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.194 -1.183 16.876 1.00 0.00 C ATOM 232 CZ TYR A 14 4.600 -1.997 17.813 1.00 0.00 C ATOM 233 OH TYR A 14 5.405 -2.678 18.744 1.00 0.00 O ATOM 0 H TYR A 14 0.551 1.845 14.090 1.00 0.00 H new ATOM 0 HA TYR A 14 0.802 0.825 16.664 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.637 -0.278 14.523 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.946 0.886 14.482 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.389 -1.572 16.893 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.897 0.302 15.392 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.758 -2.827 18.504 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.270 -1.162 16.783 1.00 0.00 H new ATOM 0 HH TYR A 14 4.931 -2.744 19.599 1.00 0.00 H new ATOM 243 N ASP A 15 2.336 2.335 17.932 1.00 0.00 N ATOM 244 CA ASP A 15 3.278 3.133 18.649 1.00 0.00 C ATOM 245 C ASP A 15 3.492 2.334 19.873 1.00 0.00 C ATOM 246 O ASP A 15 2.663 2.370 20.774 1.00 0.00 O ATOM 247 CB ASP A 15 2.787 4.541 19.035 1.00 0.00 C ATOM 248 CG ASP A 15 3.927 5.241 19.763 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.021 5.387 19.154 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.716 5.657 20.932 1.00 0.00 O ATOM 0 H ASP A 15 1.681 1.812 18.513 1.00 0.00 H new ATOM 0 HA ASP A 15 4.160 3.329 18.039 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.497 5.103 18.147 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.906 4.478 19.674 1.00 0.00 H new ATOM 255 N ALA A 16 4.605 1.573 19.882 1.00 0.00 N ATOM 256 CA ALA A 16 4.927 0.470 20.760 1.00 0.00 C ATOM 257 C ALA A 16 4.674 0.613 22.238 1.00 0.00 C ATOM 258 O ALA A 16 4.397 -0.382 22.903 1.00 0.00 O ATOM 259 CB ALA A 16 6.381 0.016 20.580 1.00 0.00 C ATOM 0 H ALA A 16 5.355 1.743 19.211 1.00 0.00 H new ATOM 0 HA ALA A 16 4.197 -0.266 20.424 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.589 -0.814 21.255 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.537 -0.306 19.550 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.052 0.845 20.807 1.00 0.00 H new ATOM 265 N LYS A 17 4.745 1.836 22.791 1.00 0.00 N ATOM 266 CA LYS A 17 4.237 2.063 24.113 1.00 0.00 C ATOM 267 C LYS A 17 3.846 3.510 24.177 1.00 0.00 C ATOM 268 O LYS A 17 4.378 4.299 23.398 1.00 0.00 O ATOM 269 CB LYS A 17 5.263 1.760 25.235 1.00 0.00 C ATOM 270 CG LYS A 17 6.606 2.501 25.108 1.00 0.00 C ATOM 271 CD LYS A 17 7.602 2.092 26.202 1.00 0.00 C ATOM 272 CE LYS A 17 8.914 2.881 26.149 1.00 0.00 C ATOM 273 NZ LYS A 17 9.612 2.646 24.866 1.00 0.00 N ATOM 0 H LYS A 17 5.146 2.656 22.336 1.00 0.00 H new ATOM 0 HA LYS A 17 3.400 1.386 24.285 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.814 2.015 26.195 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.457 0.688 25.249 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.040 2.297 24.129 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.432 3.576 25.161 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.139 2.235 27.178 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.821 1.029 26.106 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.710 3.945 26.268 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.556 2.585 26.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.558 3.077 24.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.704 1.623 24.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.066 3.072 24.090 1.00 0.00 H new ATOM 287 N PRO A 18 2.952 3.909 25.072 1.00 0.00 N ATOM 288 CA PRO A 18 2.638 5.289 25.307 1.00 0.00 C ATOM 289 C PRO A 18 3.764 5.919 26.071 1.00 0.00 C ATOM 290 O PRO A 18 4.500 5.221 26.770 1.00 0.00 O ATOM 291 CB PRO A 18 1.400 5.239 26.211 1.00 0.00 C ATOM 292 CG PRO A 18 1.426 3.855 26.858 1.00 0.00 C ATOM 293 CD PRO A 18 2.000 3.031 25.723 1.00 0.00 C ATOM 0 HA PRO A 18 2.478 5.853 24.388 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.432 6.026 26.965 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.487 5.386 25.635 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.052 3.826 27.750 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.433 3.517 27.155 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.485 2.129 26.095 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.220 2.712 25.032 1.00 0.00 H new ATOM 301 N GLN A 19 3.866 7.263 25.970 1.00 0.00 N ATOM 302 CA GLN A 19 4.722 8.039 26.821 1.00 0.00 C ATOM 303 C GLN A 19 4.039 8.097 28.146 1.00 0.00 C ATOM 304 O GLN A 19 4.533 7.571 29.144 1.00 0.00 O ATOM 305 CB GLN A 19 4.958 9.475 26.311 1.00 0.00 C ATOM 306 CG GLN A 19 5.718 9.516 24.980 1.00 0.00 C ATOM 307 CD GLN A 19 5.779 10.967 24.503 1.00 0.00 C ATOM 308 OE1 GLN A 19 5.204 11.320 23.465 1.00 0.00 O ATOM 309 NE2 GLN A 19 6.500 11.820 25.291 1.00 0.00 N ATOM 0 H GLN A 19 3.347 7.817 25.288 1.00 0.00 H new ATOM 0 HA GLN A 19 5.705 7.571 26.860 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.997 9.975 26.191 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.517 10.035 27.061 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.724 9.116 25.105 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.217 8.894 24.238 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.953 11.473 26.136 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.585 12.803 25.034 1.00 0.00 H new ATOM 318 N GLY A 20 2.852 8.721 28.147 1.00 0.00 N ATOM 319 CA GLY A 20 1.895 8.556 29.198 1.00 0.00 C ATOM 320 C GLY A 20 0.646 8.262 28.469 1.00 0.00 C ATOM 321 O GLY A 20 0.620 8.264 27.242 1.00 0.00 O ATOM 0 H GLY A 20 2.548 9.352 27.406 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.170 7.743 29.870 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.805 9.456 29.806 1.00 0.00 H new ATOM 325 N ARG A 21 -0.426 7.997 29.225 1.00 0.00 N ATOM 326 CA ARG A 21 -1.695 7.638 28.651 1.00 0.00 C ATOM 327 C ARG A 21 -2.592 8.808 28.890 1.00 0.00 C ATOM 328 O ARG A 21 -3.526 8.744 29.688 1.00 0.00 O ATOM 329 CB ARG A 21 -2.287 6.348 29.255 1.00 0.00 C ATOM 330 CG ARG A 21 -1.472 5.101 28.869 1.00 0.00 C ATOM 331 CD ARG A 21 -1.855 3.827 29.631 1.00 0.00 C ATOM 332 NE ARG A 21 -3.232 3.422 29.234 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.820 2.322 29.789 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.139 1.556 30.691 1.00 0.00 N ATOM 335 NH2 ARG A 21 -5.097 1.988 29.446 1.00 0.00 N ATOM 0 H ARG A 21 -0.422 8.029 30.244 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.581 7.418 27.589 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.319 6.438 30.341 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.316 6.228 28.915 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.593 4.920 27.801 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.415 5.307 29.039 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.148 3.028 29.408 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.809 4.003 30.706 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.740 3.971 28.541 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.185 1.804 30.954 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.584 0.735 31.102 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.611 2.560 28.776 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.538 1.166 29.860 1.00 0.00 H new ATOM 349 N ASP A 22 -2.282 9.928 28.200 1.00 0.00 N ATOM 350 CA ASP A 22 -2.911 11.186 28.458 1.00 0.00 C ATOM 351 C ASP A 22 -2.872 11.989 27.195 1.00 0.00 C ATOM 352 O ASP A 22 -2.256 11.595 26.204 1.00 0.00 O ATOM 353 CB ASP A 22 -2.270 11.958 29.632 1.00 0.00 C ATOM 354 CG ASP A 22 -0.743 11.936 29.575 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.146 12.566 28.663 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.149 11.287 30.477 1.00 0.00 O ATOM 0 H ASP A 22 -1.586 9.957 27.455 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.940 11.003 28.766 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.617 12.991 29.617 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.603 11.523 30.575 1.00 0.00 H new ATOM 361 N ASP A 23 -3.543 13.163 27.231 1.00 0.00 N ATOM 362 CA ASP A 23 -3.765 14.014 26.092 1.00 0.00 C ATOM 363 C ASP A 23 -2.532 14.753 25.660 1.00 0.00 C ATOM 364 O ASP A 23 -2.496 15.286 24.554 1.00 0.00 O ATOM 365 CB ASP A 23 -4.888 15.051 26.326 1.00 0.00 C ATOM 366 CG ASP A 23 -4.469 16.132 27.319 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.216 15.806 28.508 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.421 17.317 26.891 1.00 0.00 O ATOM 0 H ASP A 23 -3.948 13.535 28.090 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.066 13.325 25.303 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.157 15.515 25.377 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.779 14.544 26.697 1.00 0.00 H new ATOM 373 N ARG A 24 -1.493 14.792 26.524 1.00 0.00 N ATOM 374 CA ARG A 24 -0.228 15.379 26.200 1.00 0.00 C ATOM 375 C ARG A 24 0.552 14.444 25.336 1.00 0.00 C ATOM 376 O ARG A 24 1.307 14.894 24.477 1.00 0.00 O ATOM 377 CB ARG A 24 0.627 15.668 27.447 1.00 0.00 C ATOM 378 CG ARG A 24 0.989 17.145 27.681 1.00 0.00 C ATOM 379 CD ARG A 24 -0.184 18.055 28.070 1.00 0.00 C ATOM 380 NE ARG A 24 -0.859 18.548 26.833 1.00 0.00 N ATOM 381 CZ ARG A 24 -1.835 19.499 26.904 1.00 0.00 C ATOM 382 NH1 ARG A 24 -2.260 19.963 28.115 1.00 0.00 N ATOM 383 NH2 ARG A 24 -2.393 19.985 25.758 1.00 0.00 N ATOM 0 H ARG A 24 -1.537 14.406 27.467 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.443 16.319 25.693 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.093 15.301 28.324 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.551 15.094 27.372 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.743 17.197 28.466 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.446 17.538 26.773 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.893 17.508 28.691 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.175 18.897 28.662 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.588 18.170 25.925 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.848 19.599 28.974 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.990 20.674 28.161 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.080 19.637 24.851 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.123 20.696 25.808 1.00 0.00 H new ATOM 397 N TYR A 25 0.364 13.119 25.542 1.00 0.00 N ATOM 398 CA TYR A 25 1.031 12.115 24.759 1.00 0.00 C ATOM 399 C TYR A 25 0.380 12.104 23.433 1.00 0.00 C ATOM 400 O TYR A 25 1.081 11.986 22.432 1.00 0.00 O ATOM 401 CB TYR A 25 0.968 10.691 25.364 1.00 0.00 C ATOM 402 CG TYR A 25 0.960 9.577 24.341 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.054 9.262 23.545 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.184 8.800 24.218 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.985 8.235 22.626 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.251 7.769 23.304 1.00 0.00 C ATOM 407 CZ TYR A 25 0.834 7.493 22.500 1.00 0.00 C ATOM 408 OH TYR A 25 0.766 6.458 21.547 1.00 0.00 O ATOM 0 H TYR A 25 -0.257 12.743 26.259 1.00 0.00 H new ATOM 0 HA TYR A 25 2.090 12.371 24.717 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.822 10.553 26.027 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.071 10.610 25.979 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.969 9.827 23.647 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.036 9.006 24.849 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.839 8.013 22.003 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.152 7.179 23.219 1.00 0.00 H new ATOM 0 HH TYR A 25 1.673 6.177 21.303 1.00 0.00 H new ATOM 418 N CYS A 26 -0.966 12.208 23.396 1.00 0.00 N ATOM 419 CA CYS A 26 -1.629 12.000 22.152 1.00 0.00 C ATOM 420 C CYS A 26 -1.563 13.172 21.222 1.00 0.00 C ATOM 421 O CYS A 26 -1.596 12.999 20.004 1.00 0.00 O ATOM 422 CB CYS A 26 -3.033 11.432 22.237 1.00 0.00 C ATOM 423 SG CYS A 26 -3.069 10.101 21.015 1.00 0.00 S ATOM 0 H CYS A 26 -1.567 12.426 24.191 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.031 11.204 21.709 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.247 11.056 23.237 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.781 12.193 22.015 1.00 0.00 H new ATOM 428 N GLU A 27 -1.425 14.393 21.779 1.00 0.00 N ATOM 429 CA GLU A 27 -1.205 15.563 20.977 1.00 0.00 C ATOM 430 C GLU A 27 0.213 15.600 20.496 1.00 0.00 C ATOM 431 O GLU A 27 0.454 16.055 19.377 1.00 0.00 O ATOM 432 CB GLU A 27 -1.526 16.880 21.703 1.00 0.00 C ATOM 433 CG GLU A 27 -3.040 17.076 21.842 1.00 0.00 C ATOM 434 CD GLU A 27 -3.330 18.299 22.697 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.851 19.407 22.337 1.00 0.00 O ATOM 436 OE2 GLU A 27 -4.049 18.139 23.720 1.00 0.00 O ATOM 0 H GLU A 27 -1.466 14.570 22.783 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.896 15.485 20.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.064 16.877 22.690 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.096 17.717 21.152 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.491 17.195 20.857 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.489 16.192 22.294 1.00 0.00 H new ATOM 443 N SER A 28 1.180 15.109 21.310 1.00 0.00 N ATOM 444 CA SER A 28 2.552 15.047 20.900 1.00 0.00 C ATOM 445 C SER A 28 2.807 14.031 19.834 1.00 0.00 C ATOM 446 O SER A 28 3.685 14.253 19.004 1.00 0.00 O ATOM 447 CB SER A 28 3.511 14.735 22.053 1.00 0.00 C ATOM 448 OG SER A 28 3.613 15.853 22.922 1.00 0.00 O ATOM 0 H SER A 28 1.006 14.756 22.251 1.00 0.00 H new ATOM 0 HA SER A 28 2.743 16.048 20.512 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.155 13.866 22.607 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.495 14.481 21.659 1.00 0.00 H new ATOM 0 HG SER A 28 2.921 15.794 23.613 1.00 0.00 H new ATOM 454 N ILE A 29 2.060 12.905 19.827 1.00 0.00 N ATOM 455 CA ILE A 29 2.275 11.888 18.832 1.00 0.00 C ATOM 456 C ILE A 29 1.616 12.270 17.558 1.00 0.00 C ATOM 457 O ILE A 29 2.176 11.999 16.507 1.00 0.00 O ATOM 458 CB ILE A 29 2.006 10.436 19.214 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.449 9.465 18.104 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.535 10.191 19.570 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.683 8.057 18.623 1.00 0.00 C ATOM 0 H ILE A 29 1.319 12.700 20.497 1.00 0.00 H new ATOM 0 HA ILE A 29 3.358 11.871 18.714 1.00 0.00 H new ATOM 0 HB ILE A 29 2.603 10.241 20.105 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.689 9.439 17.323 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.365 9.837 17.645 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.394 9.143 19.835 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.256 10.820 20.416 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.092 10.436 18.713 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.993 7.413 17.800 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.463 8.075 19.384 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.761 7.671 19.058 1.00 0.00 H new ATOM 473 N MET A 30 0.448 12.941 17.588 1.00 0.00 N ATOM 474 CA MET A 30 -0.137 13.344 16.337 1.00 0.00 C ATOM 475 C MET A 30 0.584 14.507 15.722 1.00 0.00 C ATOM 476 O MET A 30 0.493 14.687 14.513 1.00 0.00 O ATOM 477 CB MET A 30 -1.632 13.690 16.340 1.00 0.00 C ATOM 478 CG MET A 30 -2.539 12.474 16.110 1.00 0.00 C ATOM 479 SD MET A 30 -3.331 11.802 17.592 1.00 0.00 S ATOM 480 CE MET A 30 -4.588 10.931 16.614 1.00 0.00 C ATOM 0 H MET A 30 -0.071 13.196 18.428 1.00 0.00 H new ATOM 0 HA MET A 30 -0.027 12.431 15.752 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.889 14.150 17.294 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.827 14.431 15.565 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.316 12.752 15.398 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.948 11.685 15.645 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.352 10.528 17.279 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.048 11.626 15.912 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.120 10.115 16.063 1.00 0.00 H new ATOM 490 N ARG A 31 1.326 15.320 16.508 1.00 0.00 N ATOM 491 CA ARG A 31 2.106 16.379 15.927 1.00 0.00 C ATOM 492 C ARG A 31 3.438 15.910 15.408 1.00 0.00 C ATOM 493 O ARG A 31 3.946 16.496 14.453 1.00 0.00 O ATOM 494 CB ARG A 31 2.311 17.577 16.864 1.00 0.00 C ATOM 495 CG ARG A 31 1.015 18.393 16.995 1.00 0.00 C ATOM 496 CD ARG A 31 1.107 19.578 17.955 1.00 0.00 C ATOM 497 NE ARG A 31 2.182 20.493 17.477 1.00 0.00 N ATOM 498 CZ ARG A 31 2.461 21.648 18.148 1.00 0.00 C ATOM 499 NH1 ARG A 31 1.746 21.989 19.260 1.00 0.00 N ATOM 500 NH2 ARG A 31 3.460 22.467 17.706 1.00 0.00 N ATOM 0 H ARG A 31 1.386 15.247 17.524 1.00 0.00 H new ATOM 0 HA ARG A 31 1.505 16.716 15.082 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.627 17.226 17.847 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.109 18.212 16.481 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.731 18.761 16.009 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.216 17.731 17.330 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.154 20.104 17.999 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.326 19.231 18.965 1.00 0.00 H new ATOM 0 HE ARG A 31 2.714 20.254 16.640 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.999 21.379 19.593 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.959 22.853 19.758 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.996 22.215 16.876 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.670 23.331 18.206 1.00 0.00 H new ATOM 514 N ARG A 32 4.037 14.856 16.010 1.00 0.00 N ATOM 515 CA ARG A 32 5.317 14.358 15.569 1.00 0.00 C ATOM 516 C ARG A 32 5.160 13.455 14.385 1.00 0.00 C ATOM 517 O ARG A 32 5.956 13.525 13.450 1.00 0.00 O ATOM 518 CB ARG A 32 6.074 13.546 16.638 1.00 0.00 C ATOM 519 CG ARG A 32 6.713 14.403 17.741 1.00 0.00 C ATOM 520 CD ARG A 32 7.882 15.265 17.253 1.00 0.00 C ATOM 521 NE ARG A 32 8.462 15.956 18.439 1.00 0.00 N ATOM 522 CZ ARG A 32 9.531 16.793 18.302 1.00 0.00 C ATOM 523 NH1 ARG A 32 10.083 17.011 17.071 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.052 17.415 19.400 1.00 0.00 N ATOM 0 H ARG A 32 3.637 14.349 16.800 1.00 0.00 H new ATOM 0 HA ARG A 32 5.889 15.255 15.331 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.384 12.838 17.097 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.854 12.961 16.150 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.950 15.051 18.172 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.064 13.749 18.539 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.635 14.647 16.765 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.540 15.992 16.516 1.00 0.00 H new ATOM 0 HE ARG A 32 8.056 15.802 19.362 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.696 16.547 16.249 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.882 17.638 16.974 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.642 17.254 20.320 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.851 18.041 19.300 1.00 0.00 H new ATOM 538 N ARG A 33 4.132 12.579 14.418 1.00 0.00 N ATOM 539 CA ARG A 33 3.826 11.648 13.366 1.00 0.00 C ATOM 540 C ARG A 33 3.251 12.386 12.195 1.00 0.00 C ATOM 541 O ARG A 33 3.546 12.078 11.041 1.00 0.00 O ATOM 542 CB ARG A 33 2.776 10.630 13.848 1.00 0.00 C ATOM 543 CG ARG A 33 2.809 9.234 13.223 1.00 0.00 C ATOM 544 CD ARG A 33 4.066 8.410 13.548 1.00 0.00 C ATOM 545 NE ARG A 33 4.329 8.428 15.016 1.00 0.00 N ATOM 546 CZ ARG A 33 5.409 7.765 15.526 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.202 7.011 14.710 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.700 7.859 16.856 1.00 0.00 N ATOM 0 H ARG A 33 3.489 12.517 15.208 1.00 0.00 H new ATOM 0 HA ARG A 33 4.744 11.133 13.082 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.886 10.519 14.927 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.788 11.055 13.670 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.932 8.680 13.559 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.727 9.334 12.141 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.934 7.383 13.207 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.924 8.816 13.012 1.00 0.00 H new ATOM 0 HE ARG A 33 3.702 8.936 15.640 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.989 6.941 13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.007 6.518 15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.111 8.424 17.468 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.506 7.364 17.238 1.00 0.00 H new ATOM 562 N GLY A 34 2.418 13.397 12.504 1.00 0.00 N ATOM 563 CA GLY A 34 1.824 14.286 11.549 1.00 0.00 C ATOM 564 C GLY A 34 0.593 13.672 11.003 1.00 0.00 C ATOM 565 O GLY A 34 0.504 13.358 9.816 1.00 0.00 O ATOM 0 H GLY A 34 2.145 13.605 13.464 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.589 15.240 12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.528 14.494 10.743 1.00 0.00 H new ATOM 569 N LEU A 35 -0.413 13.555 11.890 1.00 0.00 N ATOM 570 CA LEU A 35 -1.771 13.347 11.499 1.00 0.00 C ATOM 571 C LEU A 35 -2.459 14.591 11.947 1.00 0.00 C ATOM 572 O LEU A 35 -3.681 14.620 12.082 1.00 0.00 O ATOM 573 CB LEU A 35 -2.492 12.221 12.253 1.00 0.00 C ATOM 574 CG LEU A 35 -1.766 10.857 12.316 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.575 9.849 13.150 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.470 10.276 10.922 1.00 0.00 C ATOM 0 H LEU A 35 -0.278 13.606 12.900 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.790 13.101 10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.676 12.557 13.274 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.466 12.068 11.788 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.806 11.037 12.799 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.047 8.896 13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.697 10.230 14.164 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.556 9.705 12.696 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.960 9.319 11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.406 10.131 10.382 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.835 10.966 10.367 1.00 0.00 H new ATOM 588 N THR A 36 -1.657 15.650 12.209 1.00 0.00 N ATOM 589 CA THR A 36 -2.158 16.877 12.778 1.00 0.00 C ATOM 590 C THR A 36 -2.555 17.798 11.670 1.00 0.00 C ATOM 591 O THR A 36 -3.192 18.825 11.892 1.00 0.00 O ATOM 592 CB THR A 36 -1.170 17.550 13.717 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.721 18.706 14.329 1.00 0.00 O ATOM 594 CG2 THR A 36 0.145 17.941 13.015 1.00 0.00 C ATOM 0 H THR A 36 -0.654 15.656 12.025 1.00 0.00 H new ATOM 0 HA THR A 36 -3.024 16.630 13.392 1.00 0.00 H new ATOM 0 HB THR A 36 -0.950 16.805 14.482 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.676 18.564 14.497 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.813 18.417 13.733 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.622 17.047 12.613 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.069 18.635 12.202 1.00 0.00 H new ATOM 602 N SER A 37 -2.183 17.426 10.433 1.00 0.00 N ATOM 603 CA SER A 37 -2.385 18.251 9.285 1.00 0.00 C ATOM 604 C SER A 37 -3.122 17.445 8.254 1.00 0.00 C ATOM 605 O SER A 37 -2.489 16.640 7.572 1.00 0.00 O ATOM 606 CB SER A 37 -1.028 18.664 8.703 1.00 0.00 C ATOM 607 OG SER A 37 -0.071 17.629 8.884 1.00 0.00 O ATOM 0 H SER A 37 -1.733 16.534 10.227 1.00 0.00 H new ATOM 0 HA SER A 37 -2.950 19.141 9.561 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.134 18.887 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.681 19.577 9.187 1.00 0.00 H new ATOM 0 HG SER A 37 -0.433 16.785 8.542 1.00 0.00 H new ATOM 613 N PRO A 38 -4.423 17.600 8.041 1.00 0.00 N ATOM 614 CA PRO A 38 -5.410 18.152 8.940 1.00 0.00 C ATOM 615 C PRO A 38 -5.663 17.120 10.008 1.00 0.00 C ATOM 616 O PRO A 38 -5.318 15.953 9.803 1.00 0.00 O ATOM 617 CB PRO A 38 -6.649 18.324 8.057 1.00 0.00 C ATOM 618 CG PRO A 38 -6.515 17.247 6.977 1.00 0.00 C ATOM 619 CD PRO A 38 -5.003 17.114 6.804 1.00 0.00 C ATOM 0 HA PRO A 38 -5.122 19.087 9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.566 18.195 8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.686 19.321 7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.969 16.306 7.288 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.002 17.545 6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.720 16.078 6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.653 17.697 5.952 1.00 0.00 H new ATOM 627 N CYS A 39 -6.252 17.547 11.156 1.00 0.00 N ATOM 628 CA CYS A 39 -6.526 16.706 12.282 1.00 0.00 C ATOM 629 C CYS A 39 -7.463 15.611 11.877 1.00 0.00 C ATOM 630 O CYS A 39 -8.579 15.870 11.427 1.00 0.00 O ATOM 631 CB CYS A 39 -7.252 17.454 13.414 1.00 0.00 C ATOM 632 SG CYS A 39 -6.458 19.005 13.925 1.00 0.00 S ATOM 0 H CYS A 39 -6.545 18.514 11.297 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.558 16.341 12.625 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.271 17.671 13.093 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.324 16.795 14.280 1.00 0.00 H new ATOM 637 N LYS A 40 -7.001 14.352 12.038 1.00 0.00 N ATOM 638 CA LYS A 40 -7.806 13.195 11.778 1.00 0.00 C ATOM 639 C LYS A 40 -8.669 13.036 12.988 1.00 0.00 C ATOM 640 O LYS A 40 -8.252 13.360 14.098 1.00 0.00 O ATOM 641 CB LYS A 40 -6.952 11.929 11.523 1.00 0.00 C ATOM 642 CG LYS A 40 -7.727 10.632 11.218 1.00 0.00 C ATOM 643 CD LYS A 40 -8.686 10.707 10.019 1.00 0.00 C ATOM 644 CE LYS A 40 -9.423 9.387 9.761 1.00 0.00 C ATOM 645 NZ LYS A 40 -10.255 9.016 10.929 1.00 0.00 N ATOM 0 H LYS A 40 -6.055 14.136 12.353 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.395 13.323 10.870 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.281 12.131 10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.327 11.756 12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.008 9.832 11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.299 10.353 12.103 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.416 11.497 10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.124 10.984 9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.052 9.483 8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.702 8.596 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.896 8.241 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.640 8.707 11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.813 9.839 11.233 1.00 0.00 H new ATOM 659 N ASP A 41 -9.911 12.557 12.761 1.00 0.00 N ATOM 660 CA ASP A 41 -10.957 12.534 13.739 1.00 0.00 C ATOM 661 C ASP A 41 -10.700 11.571 14.848 1.00 0.00 C ATOM 662 O ASP A 41 -10.963 11.905 15.997 1.00 0.00 O ATOM 663 CB ASP A 41 -12.318 12.164 13.134 1.00 0.00 C ATOM 664 CG ASP A 41 -12.615 13.155 12.018 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.720 14.373 12.320 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.738 12.706 10.848 1.00 0.00 O ATOM 0 H ASP A 41 -10.195 12.171 11.860 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.976 13.552 14.129 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.299 11.146 12.746 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.097 12.201 13.895 1.00 0.00 H new ATOM 671 N ILE A 42 -10.213 10.350 14.548 1.00 0.00 N ATOM 672 CA ILE A 42 -10.012 9.400 15.606 1.00 0.00 C ATOM 673 C ILE A 42 -8.978 8.416 15.152 1.00 0.00 C ATOM 674 O ILE A 42 -9.023 7.919 14.028 1.00 0.00 O ATOM 675 CB ILE A 42 -11.304 8.730 16.066 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.098 7.935 17.374 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.960 7.912 14.933 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.422 7.575 18.047 1.00 0.00 C ATOM 0 H ILE A 42 -9.966 10.028 13.612 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.656 9.922 16.494 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.022 9.513 16.310 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.542 7.022 17.158 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.491 8.523 18.062 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.877 7.451 15.301 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.195 8.571 14.097 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.272 7.135 14.600 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.225 7.017 18.962 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.967 8.487 18.289 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.019 6.964 17.371 1.00 0.00 H new ATOM 690 N ASN A 43 -8.005 8.124 16.045 1.00 0.00 N ATOM 691 CA ASN A 43 -7.042 7.077 15.790 1.00 0.00 C ATOM 692 C ASN A 43 -6.653 6.457 17.083 1.00 0.00 C ATOM 693 O ASN A 43 -6.394 7.148 18.066 1.00 0.00 O ATOM 694 CB ASN A 43 -5.699 7.505 15.171 1.00 0.00 C ATOM 695 CG ASN A 43 -5.853 7.757 13.674 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.893 8.907 13.227 1.00 0.00 O ATOM 697 ND2 ASN A 43 -5.926 6.634 12.895 1.00 0.00 N ATOM 0 H ASN A 43 -7.883 8.605 16.936 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.558 6.432 15.079 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.338 8.409 15.662 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.951 6.730 15.340 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.019 6.721 11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.887 5.711 13.327 1.00 0.00 H new ATOM 704 N THR A 44 -6.574 5.113 17.070 1.00 0.00 N ATOM 705 CA THR A 44 -6.171 4.332 18.200 1.00 0.00 C ATOM 706 C THR A 44 -4.741 3.968 18.015 1.00 0.00 C ATOM 707 O THR A 44 -4.389 3.339 17.020 1.00 0.00 O ATOM 708 CB THR A 44 -6.997 3.083 18.297 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.344 3.471 18.480 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.584 2.209 19.485 1.00 0.00 C ATOM 0 H THR A 44 -6.797 4.552 16.248 1.00 0.00 H new ATOM 0 HA THR A 44 -6.311 4.906 19.116 1.00 0.00 H new ATOM 0 HB THR A 44 -6.853 2.502 17.386 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.545 3.514 19.438 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.209 1.317 19.515 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.540 1.917 19.376 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.709 2.771 20.411 1.00 0.00 H new ATOM 718 N PHE A 45 -3.890 4.340 18.996 1.00 0.00 N ATOM 719 CA PHE A 45 -2.503 3.980 18.942 1.00 0.00 C ATOM 720 C PHE A 45 -2.343 2.698 19.698 1.00 0.00 C ATOM 721 O PHE A 45 -2.699 2.623 20.871 1.00 0.00 O ATOM 722 CB PHE A 45 -1.500 5.031 19.473 1.00 0.00 C ATOM 723 CG PHE A 45 -1.518 6.245 18.586 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.541 7.156 18.744 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.549 6.499 17.618 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.646 8.251 17.916 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.650 7.604 16.792 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.706 8.476 16.932 1.00 0.00 C ATOM 0 H PHE A 45 -4.159 4.883 19.816 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.250 3.892 17.885 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.759 5.311 20.494 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.497 4.607 19.504 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.269 7.009 19.528 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.289 5.827 17.511 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.470 8.938 18.038 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.101 7.783 16.036 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.798 9.329 16.277 1.00 0.00 H new ATOM 738 N ILE A 46 -1.815 1.653 19.015 1.00 0.00 N ATOM 739 CA ILE A 46 -1.713 0.328 19.561 1.00 0.00 C ATOM 740 C ILE A 46 -0.387 0.265 20.226 1.00 0.00 C ATOM 741 O ILE A 46 0.576 0.843 19.742 1.00 0.00 O ATOM 742 CB ILE A 46 -1.618 -0.762 18.507 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.509 -0.524 17.267 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.828 -2.153 19.127 1.00 0.00 C ATOM 745 CD1 ILE A 46 -4.008 -0.397 17.540 1.00 0.00 C ATOM 0 H ILE A 46 -1.453 1.733 18.065 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.593 0.167 20.184 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.600 -0.718 18.120 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.171 0.385 16.769 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.354 -1.346 16.568 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.755 -2.913 18.349 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.064 -2.333 19.884 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.814 -2.200 19.589 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.536 -0.232 16.601 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.372 -1.313 18.005 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.186 0.445 18.209 1.00 0.00 H new ATOM 757 N HIS A 47 -0.322 -0.462 21.349 1.00 0.00 N ATOM 758 CA HIS A 47 0.854 -0.590 22.154 1.00 0.00 C ATOM 759 C HIS A 47 1.035 -2.023 22.497 1.00 0.00 C ATOM 760 O HIS A 47 0.115 -2.684 22.978 1.00 0.00 O ATOM 761 CB HIS A 47 0.731 0.098 23.512 1.00 0.00 C ATOM 762 CG HIS A 47 0.058 1.425 23.422 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.533 2.452 22.643 1.00 0.00 N ATOM 764 CD2 HIS A 47 -1.050 1.910 24.044 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.295 3.499 22.831 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.272 3.221 23.671 1.00 0.00 N ATOM 0 H HIS A 47 -1.119 -0.983 21.715 1.00 0.00 H new ATOM 0 HA HIS A 47 1.665 -0.148 21.575 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.171 -0.544 24.191 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.724 0.227 23.942 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.354 2.427 22.039 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.667 1.350 24.731 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.172 4.457 22.348 1.00 0.00 H new ATOM 774 N GLY A 48 2.263 -2.521 22.303 1.00 0.00 N ATOM 775 CA GLY A 48 2.587 -3.846 22.715 1.00 0.00 C ATOM 776 C GLY A 48 3.807 -4.180 21.947 1.00 0.00 C ATOM 777 O GLY A 48 4.578 -3.292 21.585 1.00 0.00 O ATOM 0 H GLY A 48 3.029 -2.010 21.863 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.767 -3.896 23.789 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.776 -4.540 22.495 1.00 0.00 H new ATOM 781 N ASN A 49 3.991 -5.484 21.672 1.00 0.00 N ATOM 782 CA ASN A 49 5.026 -5.914 20.785 1.00 0.00 C ATOM 783 C ASN A 49 4.437 -5.934 19.414 1.00 0.00 C ATOM 784 O ASN A 49 3.240 -6.132 19.210 1.00 0.00 O ATOM 785 CB ASN A 49 5.573 -7.320 21.086 1.00 0.00 C ATOM 786 CG ASN A 49 6.742 -7.214 22.062 1.00 0.00 C ATOM 787 OD1 ASN A 49 6.603 -6.754 23.200 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.933 -7.675 21.567 1.00 0.00 N ATOM 0 H ASN A 49 3.425 -6.238 22.062 1.00 0.00 H new ATOM 0 HA ASN A 49 5.864 -5.226 20.898 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.787 -7.944 21.510 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.898 -7.800 20.163 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.771 -7.650 22.148 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.982 -8.044 20.617 1.00 0.00 H new ATOM 795 N LYS A 50 5.325 -5.749 18.419 1.00 0.00 N ATOM 796 CA LYS A 50 4.964 -5.819 17.037 1.00 0.00 C ATOM 797 C LYS A 50 5.135 -7.253 16.617 1.00 0.00 C ATOM 798 O LYS A 50 4.760 -7.658 15.520 1.00 0.00 O ATOM 799 CB LYS A 50 5.912 -4.962 16.181 1.00 0.00 C ATOM 800 CG LYS A 50 5.392 -4.617 14.783 1.00 0.00 C ATOM 801 CD LYS A 50 6.087 -3.426 14.103 1.00 0.00 C ATOM 802 CE LYS A 50 7.586 -3.563 13.795 1.00 0.00 C ATOM 803 NZ LYS A 50 8.436 -3.494 15.008 1.00 0.00 N ATOM 0 H LYS A 50 6.312 -5.547 18.578 1.00 0.00 H new ATOM 0 HA LYS A 50 3.944 -5.458 16.901 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.119 -4.034 16.714 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.861 -5.489 16.079 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.502 -5.494 14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.325 -4.404 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.568 -3.223 13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.952 -2.550 14.738 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.762 -4.512 13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.883 -2.773 13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.336 -3.029 14.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.945 -2.949 15.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.623 -4.456 15.356 1.00 0.00 H new ATOM 817 N ARG A 51 5.733 -8.064 17.512 1.00 0.00 N ATOM 818 CA ARG A 51 5.892 -9.472 17.331 1.00 0.00 C ATOM 819 C ARG A 51 4.571 -10.086 17.636 1.00 0.00 C ATOM 820 O ARG A 51 4.159 -11.041 16.981 1.00 0.00 O ATOM 821 CB ARG A 51 6.943 -10.101 18.269 1.00 0.00 C ATOM 822 CG ARG A 51 8.420 -9.983 17.832 1.00 0.00 C ATOM 823 CD ARG A 51 9.061 -8.580 17.823 1.00 0.00 C ATOM 824 NE ARG A 51 8.641 -7.802 16.614 1.00 0.00 N ATOM 825 CZ ARG A 51 9.229 -7.946 15.388 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.287 -8.787 15.210 1.00 0.00 N ATOM 827 NH2 ARG A 51 8.740 -7.239 14.327 1.00 0.00 N ATOM 0 H ARG A 51 6.119 -7.724 18.393 1.00 0.00 H new ATOM 0 HA ARG A 51 6.236 -9.651 16.312 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.841 -9.641 19.252 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.706 -11.158 18.386 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.015 -10.618 18.489 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.505 -10.396 16.827 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.773 -8.040 18.725 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.147 -8.673 17.840 1.00 0.00 H new ATOM 0 HE ARG A 51 7.878 -7.131 16.710 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.652 -9.321 15.998 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.713 -8.882 14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.945 -6.613 14.454 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.170 -7.337 13.407 1.00 0.00 H new ATOM 841 N SER A 52 3.874 -9.517 18.639 1.00 0.00 N ATOM 842 CA SER A 52 2.563 -9.922 18.999 1.00 0.00 C ATOM 843 C SER A 52 1.536 -9.366 18.069 1.00 0.00 C ATOM 844 O SER A 52 0.518 -10.034 17.912 1.00 0.00 O ATOM 845 CB SER A 52 2.214 -9.683 20.474 1.00 0.00 C ATOM 846 OG SER A 52 2.342 -8.325 20.846 1.00 0.00 O ATOM 0 H SER A 52 4.239 -8.755 19.210 1.00 0.00 H new ATOM 0 HA SER A 52 2.551 -11.006 18.886 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.192 -10.013 20.661 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.865 -10.292 21.102 1.00 0.00 H new ATOM 0 HG SER A 52 2.657 -7.804 20.078 1.00 0.00 H new ATOM 852 N ILE A 53 1.758 -8.180 17.424 1.00 0.00 N ATOM 853 CA ILE A 53 0.813 -7.672 16.444 1.00 0.00 C ATOM 854 C ILE A 53 0.773 -8.570 15.242 1.00 0.00 C ATOM 855 O ILE A 53 -0.300 -8.918 14.751 1.00 0.00 O ATOM 856 CB ILE A 53 0.959 -6.185 16.062 1.00 0.00 C ATOM 857 CG1 ILE A 53 -0.391 -5.530 15.711 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.909 -5.899 14.884 1.00 0.00 C ATOM 859 CD1 ILE A 53 -1.356 -5.535 16.883 1.00 0.00 C ATOM 0 H ILE A 53 2.573 -7.587 17.578 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.154 -7.694 16.947 1.00 0.00 H new ATOM 0 HB ILE A 53 1.389 -5.756 16.967 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.221 -4.503 15.388 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.841 -6.058 14.870 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.942 -4.826 14.695 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.910 -6.255 15.129 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.549 -6.413 13.993 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.292 -5.063 16.585 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.550 -6.563 17.190 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.920 -4.983 17.716 1.00 0.00 H new ATOM 871 N LYS A 54 1.967 -8.984 14.777 1.00 0.00 N ATOM 872 CA LYS A 54 2.143 -9.871 13.653 1.00 0.00 C ATOM 873 C LYS A 54 1.620 -11.246 13.952 1.00 0.00 C ATOM 874 O LYS A 54 1.087 -11.910 13.062 1.00 0.00 O ATOM 875 CB LYS A 54 3.602 -10.038 13.196 1.00 0.00 C ATOM 876 CG LYS A 54 4.150 -8.811 12.454 1.00 0.00 C ATOM 877 CD LYS A 54 5.601 -9.005 11.996 1.00 0.00 C ATOM 878 CE LYS A 54 6.195 -7.767 11.320 1.00 0.00 C ATOM 879 NZ LYS A 54 7.583 -8.035 10.887 1.00 0.00 N ATOM 0 H LYS A 54 2.849 -8.692 15.197 1.00 0.00 H new ATOM 0 HA LYS A 54 1.581 -9.390 12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.228 -10.237 14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.674 -10.910 12.545 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.523 -8.604 11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.091 -7.939 13.106 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.214 -9.269 12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.646 -9.845 11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.586 -7.486 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.179 -6.924 12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.974 -7.187 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.163 -8.281 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.589 -8.826 10.212 1.00 0.00 H new ATOM 893 N ALA A 55 1.732 -11.697 15.226 1.00 0.00 N ATOM 894 CA ALA A 55 1.239 -12.980 15.660 1.00 0.00 C ATOM 895 C ALA A 55 -0.249 -13.017 15.888 1.00 0.00 C ATOM 896 O ALA A 55 -0.756 -14.026 16.372 1.00 0.00 O ATOM 897 CB ALA A 55 1.876 -13.451 16.976 1.00 0.00 C ATOM 0 H ALA A 55 2.175 -11.158 15.970 1.00 0.00 H new ATOM 0 HA ALA A 55 1.510 -13.635 14.832 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.465 -14.422 17.252 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.955 -13.536 16.848 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.660 -12.729 17.764 1.00 0.00 H new ATOM 903 N ILE A 56 -1.004 -11.951 15.516 1.00 0.00 N ATOM 904 CA ILE A 56 -2.442 -11.998 15.515 1.00 0.00 C ATOM 905 C ILE A 56 -2.883 -12.708 14.263 1.00 0.00 C ATOM 906 O ILE A 56 -3.990 -13.243 14.205 1.00 0.00 O ATOM 907 CB ILE A 56 -3.084 -10.625 15.651 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.618 -9.905 16.937 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.619 -10.724 15.637 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.627 -10.758 18.210 1.00 0.00 C ATOM 0 H ILE A 56 -0.614 -11.057 15.216 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.779 -12.547 16.394 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.762 -10.038 14.791 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.606 -9.532 16.778 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.256 -9.036 17.098 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.049 -9.727 15.736 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.946 -11.169 14.697 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.951 -11.346 16.468 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.283 -10.158 19.052 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.640 -11.110 18.405 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.964 -11.613 18.079 1.00 0.00 H new ATOM 922 N CYS A 57 -1.993 -12.785 13.245 1.00 0.00 N ATOM 923 CA CYS A 57 -2.257 -13.522 12.039 1.00 0.00 C ATOM 924 C CYS A 57 -2.133 -15.009 12.220 1.00 0.00 C ATOM 925 O CYS A 57 -2.564 -15.764 11.349 1.00 0.00 O ATOM 926 CB CYS A 57 -1.313 -13.143 10.899 1.00 0.00 C ATOM 927 SG CYS A 57 -1.471 -11.393 10.475 1.00 0.00 S ATOM 0 H CYS A 57 -1.080 -12.330 13.261 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.285 -13.256 11.791 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.284 -13.359 11.188 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.533 -13.754 10.023 1.00 0.00 H new ATOM 932 N GLU A 58 -1.552 -15.464 13.353 1.00 0.00 N ATOM 933 CA GLU A 58 -1.554 -16.854 13.708 1.00 0.00 C ATOM 934 C GLU A 58 -2.907 -17.208 14.234 1.00 0.00 C ATOM 935 O GLU A 58 -3.645 -16.361 14.736 1.00 0.00 O ATOM 936 CB GLU A 58 -0.559 -17.215 14.824 1.00 0.00 C ATOM 937 CG GLU A 58 0.903 -17.008 14.419 1.00 0.00 C ATOM 938 CD GLU A 58 1.780 -17.475 15.571 1.00 0.00 C ATOM 939 OE1 GLU A 58 1.669 -18.669 15.959 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.578 -16.644 16.080 1.00 0.00 O ATOM 0 H GLU A 58 -1.078 -14.862 14.026 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.274 -17.395 12.804 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.775 -16.609 15.704 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.706 -18.256 15.110 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.131 -17.571 13.514 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.092 -15.958 14.197 1.00 0.00 H new ATOM 947 N ASN A 59 -3.233 -18.515 14.146 1.00 0.00 N ATOM 948 CA ASN A 59 -4.478 -19.057 14.610 1.00 0.00 C ATOM 949 C ASN A 59 -4.387 -19.389 16.069 1.00 0.00 C ATOM 950 O ASN A 59 -5.404 -19.646 16.714 1.00 0.00 O ATOM 951 CB ASN A 59 -4.924 -20.324 13.843 1.00 0.00 C ATOM 952 CG ASN A 59 -3.914 -21.465 14.010 1.00 0.00 C ATOM 953 OD1 ASN A 59 -2.768 -21.399 13.547 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.383 -22.563 14.679 1.00 0.00 N ATOM 0 H ASN A 59 -2.612 -19.215 13.740 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.225 -18.284 14.430 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.901 -20.645 14.205 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.038 -20.089 12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.780 -23.374 14.814 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.336 -22.570 15.043 1.00 0.00 H new ATOM 961 N LYS A 60 -3.150 -19.404 16.611 1.00 0.00 N ATOM 962 CA LYS A 60 -2.897 -19.780 17.968 1.00 0.00 C ATOM 963 C LYS A 60 -3.089 -18.604 18.864 1.00 0.00 C ATOM 964 O LYS A 60 -3.518 -18.759 20.006 1.00 0.00 O ATOM 965 CB LYS A 60 -1.462 -20.293 18.180 1.00 0.00 C ATOM 966 CG LYS A 60 -1.135 -21.513 17.310 1.00 0.00 C ATOM 967 CD LYS A 60 0.273 -22.062 17.565 1.00 0.00 C ATOM 968 CE LYS A 60 0.597 -23.282 16.700 1.00 0.00 C ATOM 969 NZ LYS A 60 1.958 -23.775 17.002 1.00 0.00 N ATOM 0 H LYS A 60 -2.310 -19.149 16.092 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.597 -20.582 18.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.757 -19.492 17.955 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.325 -20.553 19.230 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.867 -22.298 17.502 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.229 -21.240 16.259 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.005 -21.278 17.369 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.368 -22.332 18.617 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.132 -24.071 16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.523 -23.019 15.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.167 -24.603 16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.651 -23.025 16.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.015 -24.044 18.005 1.00 0.00 H new ATOM 983 N ASN A 61 -2.750 -17.402 18.355 1.00 0.00 N ATOM 984 CA ASN A 61 -2.814 -16.193 19.125 1.00 0.00 C ATOM 985 C ASN A 61 -3.689 -15.230 18.377 1.00 0.00 C ATOM 986 O ASN A 61 -3.391 -14.045 18.254 1.00 0.00 O ATOM 987 CB ASN A 61 -1.406 -15.621 19.396 1.00 0.00 C ATOM 988 CG ASN A 61 -1.458 -14.489 20.422 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.068 -14.622 21.490 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.782 -13.353 20.070 1.00 0.00 N ATOM 0 H ASN A 61 -2.427 -17.267 17.397 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.242 -16.387 20.109 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.752 -16.414 19.758 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.975 -15.252 18.465 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.762 -12.554 20.704 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.298 -13.305 19.174 1.00 0.00 H new ATOM 997 N GLY A 62 -4.836 -15.726 17.880 1.00 0.00 N ATOM 998 CA GLY A 62 -5.816 -14.854 17.310 1.00 0.00 C ATOM 999 C GLY A 62 -6.820 -15.710 16.612 1.00 0.00 C ATOM 1000 O GLY A 62 -6.473 -16.713 15.997 1.00 0.00 O ATOM 0 H GLY A 62 -5.083 -16.716 17.872 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.294 -14.255 18.085 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.351 -14.159 16.611 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.108 -15.320 16.715 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.201 -16.065 16.159 1.00 0.00 C ATOM 1006 C ASN A 63 -9.415 -15.567 14.759 1.00 0.00 C ATOM 1007 O ASN A 63 -9.077 -14.415 14.495 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.522 -15.819 16.913 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.443 -16.460 18.297 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -10.722 -17.655 18.454 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.060 -15.637 19.320 1.00 0.00 N ATOM 0 H ASN A 63 -8.396 -14.468 17.196 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.951 -17.124 16.217 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.707 -14.749 17.006 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.357 -16.239 16.353 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.993 -16.002 20.270 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.841 -14.658 19.133 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.968 -16.349 13.843 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.459 -15.850 12.588 1.00 0.00 C ATOM 1020 C PRO A 64 -11.721 -15.101 12.899 1.00 0.00 C ATOM 1021 O PRO A 64 -12.523 -15.557 13.715 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.723 -17.102 11.748 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.947 -18.224 12.766 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.094 -17.792 13.961 1.00 0.00 C ATOM 0 HA PRO A 64 -9.784 -15.181 12.054 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.595 -16.971 11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.879 -17.324 11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.999 -18.318 13.036 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.631 -19.191 12.375 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.568 -18.069 14.903 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.117 -18.275 13.941 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.897 -13.935 12.248 1.00 0.00 N ATOM 1033 CA HIS A 65 -12.973 -13.046 12.561 1.00 0.00 C ATOM 1034 C HIS A 65 -13.511 -12.553 11.263 1.00 0.00 C ATOM 1035 O HIS A 65 -12.774 -11.967 10.475 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.465 -11.845 13.382 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.502 -10.819 13.723 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.569 -11.082 14.538 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -13.546 -9.503 13.418 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.240 -9.953 14.722 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -14.637 -8.977 14.055 1.00 0.00 N ATOM 0 H HIS A 65 -11.288 -13.607 11.499 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.733 -13.561 13.149 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.028 -12.218 14.308 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.665 -11.358 12.825 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.850 -8.967 12.789 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.134 -9.845 15.319 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -14.935 -8.002 14.023 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.828 -12.774 11.046 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.592 -12.296 9.917 1.00 0.00 C ATOM 1052 C ARG A 66 -15.066 -12.813 8.608 1.00 0.00 C ATOM 1053 O ARG A 66 -15.218 -13.992 8.295 1.00 0.00 O ATOM 1054 CB ARG A 66 -15.753 -10.756 9.850 1.00 0.00 C ATOM 1055 CG ARG A 66 -16.369 -10.129 11.113 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.797 -10.578 11.422 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.207 -9.893 12.681 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.423 -10.141 13.249 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -20.294 -11.011 12.661 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.768 -9.515 14.412 1.00 0.00 N ATOM 0 H ARG A 66 -15.395 -13.318 11.696 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.588 -12.705 10.088 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.775 -10.307 9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.377 -10.504 8.992 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.735 -10.369 11.967 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.360 -9.044 11.004 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.469 -10.317 10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.844 -11.661 11.539 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.570 -9.230 13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.038 -11.480 11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.201 -11.192 13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.118 -8.865 14.853 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.676 -9.698 14.840 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.463 -11.911 7.803 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.018 -12.189 6.475 1.00 0.00 C ATOM 1076 C GLU A 67 -12.656 -11.592 6.401 1.00 0.00 C ATOM 1077 O GLU A 67 -12.507 -10.400 6.138 1.00 0.00 O ATOM 1078 CB GLU A 67 -14.874 -11.527 5.374 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.285 -12.115 5.252 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.025 -11.358 4.159 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.573 -11.412 2.985 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.058 -10.712 4.487 1.00 0.00 O ATOM 0 H GLU A 67 -14.281 -10.951 8.094 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.069 -13.264 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.952 -10.459 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.363 -11.631 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.234 -13.177 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.816 -12.028 6.200 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.643 -12.451 6.650 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.212 -12.241 6.535 1.00 0.00 C ATOM 1091 C ASN A 68 -9.633 -11.307 7.563 1.00 0.00 C ATOM 1092 O ASN A 68 -8.508 -10.832 7.407 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.638 -11.964 5.105 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.106 -10.666 4.421 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -10.949 -10.718 3.515 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -9.542 -9.497 4.848 1.00 0.00 N ATOM 0 H ASN A 68 -11.845 -13.399 6.967 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.851 -13.243 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.550 -11.943 5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.902 -12.804 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.812 -8.613 4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.851 -9.508 5.599 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.379 -11.041 8.655 1.00 0.00 N ATOM 1104 CA LEU A 69 -9.906 -10.193 9.709 1.00 0.00 C ATOM 1105 C LEU A 69 -9.446 -11.134 10.760 1.00 0.00 C ATOM 1106 O LEU A 69 -9.724 -12.330 10.680 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.967 -9.242 10.293 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.923 -8.590 9.265 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -12.976 -7.734 9.988 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.213 -7.742 8.195 1.00 0.00 C ATOM 0 H LEU A 69 -11.315 -11.416 8.807 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.132 -9.529 9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.565 -9.795 11.017 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.456 -8.450 10.840 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.398 -9.417 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.643 -7.281 9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.555 -8.363 10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.478 -6.950 10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.953 -7.321 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.662 -6.934 8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.520 -8.369 7.634 1.00 0.00 H new ATOM 1122 N ARG A 70 -8.711 -10.625 11.763 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.178 -11.501 12.765 1.00 0.00 C ATOM 1124 C ARG A 70 -8.316 -10.782 14.052 1.00 0.00 C ATOM 1125 O ARG A 70 -7.706 -9.737 14.256 1.00 0.00 O ATOM 1126 CB ARG A 70 -6.679 -11.817 12.601 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.333 -12.887 11.558 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.679 -14.294 12.045 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.032 -15.284 11.141 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.071 -16.614 11.447 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.756 -17.047 12.544 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -5.417 -17.515 10.657 1.00 0.00 N ATOM 0 H ARG A 70 -8.489 -9.637 11.883 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.717 -12.446 12.697 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.160 -10.896 12.335 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.287 -12.137 13.566 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.873 -12.680 10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.270 -12.835 11.325 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.334 -14.435 13.069 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.760 -14.437 12.051 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.560 -14.969 10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.242 -16.376 13.139 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.783 -18.042 12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.899 -17.194 9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.446 -18.509 10.885 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.114 -11.368 14.961 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.281 -10.867 16.290 1.00 0.00 C ATOM 1148 C ILE A 71 -8.075 -11.340 17.018 1.00 0.00 C ATOM 1149 O ILE A 71 -7.571 -12.421 16.739 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.552 -11.478 16.906 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.731 -10.489 16.890 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -10.392 -12.106 18.312 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -11.631 -9.384 17.944 1.00 0.00 C ATOM 0 H ILE A 71 -9.656 -12.210 14.768 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.385 -9.783 16.330 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.768 -12.318 16.247 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.794 -10.031 15.903 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.658 -11.042 17.045 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.351 -12.504 18.644 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.660 -12.912 18.269 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.052 -11.345 19.014 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.499 -8.729 17.868 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.600 -9.831 18.938 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.723 -8.804 17.778 1.00 0.00 H new ATOM 1165 N SER A 72 -7.586 -10.528 17.969 1.00 0.00 N ATOM 1166 CA SER A 72 -6.475 -10.936 18.786 1.00 0.00 C ATOM 1167 C SER A 72 -6.930 -11.618 20.034 1.00 0.00 C ATOM 1168 O SER A 72 -8.008 -11.345 20.557 1.00 0.00 O ATOM 1169 CB SER A 72 -5.614 -9.757 19.242 1.00 0.00 C ATOM 1170 OG SER A 72 -6.346 -8.883 20.074 1.00 0.00 O ATOM 0 H SER A 72 -7.951 -9.598 18.176 1.00 0.00 H new ATOM 0 HA SER A 72 -5.897 -11.607 18.151 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.740 -10.127 19.778 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.247 -9.213 18.372 1.00 0.00 H new ATOM 0 HG SER A 72 -5.737 -8.231 20.480 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.062 -12.517 20.548 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.272 -13.173 21.807 1.00 0.00 C ATOM 1178 C LYS A 73 -5.359 -12.554 22.817 1.00 0.00 C ATOM 1179 O LYS A 73 -5.568 -12.719 24.019 1.00 0.00 O ATOM 1180 CB LYS A 73 -5.949 -14.677 21.783 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.974 -15.510 21.001 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.552 -16.979 20.883 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.494 -17.826 20.025 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.953 -19.193 19.865 1.00 0.00 N ATOM 0 H LYS A 73 -5.199 -12.792 20.080 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.329 -13.056 22.045 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.963 -14.822 21.342 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.898 -15.046 22.807 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.943 -15.450 21.496 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.099 -15.088 20.004 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.549 -17.026 20.459 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.497 -17.413 21.882 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.479 -17.870 20.489 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.623 -17.362 19.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.602 -19.757 19.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.023 -19.146 19.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.853 -19.638 20.799 1.00 0.00 H new ATOM 1198 N SER A 74 -4.316 -11.831 22.348 1.00 0.00 N ATOM 1199 CA SER A 74 -3.369 -11.185 23.205 1.00 0.00 C ATOM 1200 C SER A 74 -3.653 -9.733 23.075 1.00 0.00 C ATOM 1201 O SER A 74 -3.038 -9.043 22.267 1.00 0.00 O ATOM 1202 CB SER A 74 -1.900 -11.439 22.823 1.00 0.00 C ATOM 1203 OG SER A 74 -1.032 -10.724 23.690 1.00 0.00 O ATOM 0 H SER A 74 -4.131 -11.695 21.354 1.00 0.00 H new ATOM 0 HA SER A 74 -3.479 -11.576 24.216 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.682 -12.506 22.879 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.728 -11.132 21.791 1.00 0.00 H new ATOM 0 HG SER A 74 -0.101 -10.896 23.436 1.00 0.00 H new ATOM 1209 N SER A 75 -4.625 -9.282 23.890 1.00 0.00 N ATOM 1210 CA SER A 75 -5.085 -7.922 24.041 1.00 0.00 C ATOM 1211 C SER A 75 -3.968 -6.944 24.266 1.00 0.00 C ATOM 1212 O SER A 75 -3.039 -7.186 25.037 1.00 0.00 O ATOM 1213 CB SER A 75 -6.066 -7.778 25.217 1.00 0.00 C ATOM 1214 OG SER A 75 -5.505 -8.328 26.400 1.00 0.00 O ATOM 0 H SER A 75 -5.137 -9.921 24.498 1.00 0.00 H new ATOM 0 HA SER A 75 -5.580 -7.692 23.097 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.303 -6.726 25.374 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.002 -8.284 24.982 1.00 0.00 H new ATOM 0 HG SER A 75 -5.268 -7.604 27.017 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.055 -5.804 23.547 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.991 -4.840 23.463 1.00 0.00 C ATOM 1222 C PHE A 76 -3.490 -3.642 24.169 1.00 0.00 C ATOM 1223 O PHE A 76 -4.695 -3.504 24.369 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.682 -4.384 22.014 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.186 -5.512 21.165 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.103 -6.385 20.620 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.840 -5.672 20.851 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.691 -7.437 19.849 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.419 -6.728 20.057 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.355 -7.630 19.598 1.00 0.00 C ATOM 0 H PHE A 76 -4.884 -5.546 23.011 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.086 -5.288 23.874 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.582 -3.962 21.567 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.935 -3.591 22.035 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.157 -6.237 20.804 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.115 -4.966 21.230 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.420 -8.119 19.436 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.624 -6.842 19.803 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.035 -8.495 19.037 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.562 -2.744 24.562 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.968 -1.498 25.131 1.00 0.00 C ATOM 1242 C GLN A 77 -3.285 -0.626 23.980 1.00 0.00 C ATOM 1243 O GLN A 77 -2.564 -0.636 22.993 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.942 -0.837 26.082 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.036 -1.770 26.891 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.410 -0.900 27.977 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.647 -0.287 27.787 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.121 -0.847 29.145 1.00 0.00 N ATOM 0 H GLN A 77 -1.554 -2.879 24.487 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.822 -1.667 25.786 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.306 -0.179 25.489 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.488 -0.206 26.783 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.608 -2.589 27.327 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.270 -2.217 26.258 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.987 -1.377 29.239 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.785 -0.277 29.921 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.406 0.116 24.049 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.893 0.788 22.882 1.00 0.00 C ATOM 1259 C VAL A 78 -5.472 2.101 23.326 1.00 0.00 C ATOM 1260 O VAL A 78 -6.596 2.160 23.823 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.957 0.000 22.140 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -5.233 -0.823 21.062 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -6.812 -0.888 23.064 1.00 0.00 C ATOM 0 H VAL A 78 -4.965 0.250 24.892 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.061 0.915 22.189 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.673 0.688 21.690 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.961 -1.408 20.501 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.707 -0.151 20.384 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.517 -1.494 21.536 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.553 -1.424 22.470 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.170 -1.605 23.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.319 -0.265 23.800 1.00 0.00 H new ATOM 1273 N THR A 79 -4.701 3.196 23.154 1.00 0.00 N ATOM 1274 CA THR A 79 -5.117 4.504 23.589 1.00 0.00 C ATOM 1275 C THR A 79 -5.824 5.162 22.443 1.00 0.00 C ATOM 1276 O THR A 79 -5.203 5.492 21.435 1.00 0.00 O ATOM 1277 CB THR A 79 -3.949 5.331 24.076 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.390 4.691 25.213 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.360 6.754 24.486 1.00 0.00 C ATOM 0 H THR A 79 -3.783 3.177 22.711 1.00 0.00 H new ATOM 0 HA THR A 79 -5.792 4.415 24.441 1.00 0.00 H new ATOM 0 HB THR A 79 -3.237 5.410 23.254 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.640 4.125 24.934 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.482 7.302 24.827 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.798 7.267 23.630 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.092 6.703 25.292 1.00 0.00 H new ATOM 1287 N THR A 80 -7.156 5.357 22.589 1.00 0.00 N ATOM 1288 CA THR A 80 -8.004 5.835 21.530 1.00 0.00 C ATOM 1289 C THR A 80 -8.130 7.315 21.661 1.00 0.00 C ATOM 1290 O THR A 80 -8.881 7.817 22.493 1.00 0.00 O ATOM 1291 CB THR A 80 -9.376 5.204 21.564 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.233 3.791 21.553 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.213 5.642 20.345 1.00 0.00 C ATOM 0 H THR A 80 -7.653 5.178 23.462 1.00 0.00 H new ATOM 0 HA THR A 80 -7.550 5.562 20.577 1.00 0.00 H new ATOM 0 HB THR A 80 -9.890 5.527 22.469 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.119 3.372 21.576 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.197 5.175 20.392 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.326 6.726 20.352 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.709 5.335 19.428 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.387 8.048 20.811 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.348 9.477 20.864 1.00 0.00 C ATOM 1303 C CYS A 81 -8.308 10.005 19.873 1.00 0.00 C ATOM 1304 O CYS A 81 -8.205 9.702 18.687 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.969 10.012 20.511 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.747 9.117 21.483 1.00 0.00 S ATOM 0 H CYS A 81 -6.806 7.643 20.077 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.596 9.790 21.878 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.774 9.885 19.446 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.912 11.080 20.720 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.268 10.811 20.360 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.323 11.303 19.534 1.00 0.00 C ATOM 1313 C LYS A 82 -10.165 12.787 19.568 1.00 0.00 C ATOM 1314 O LYS A 82 -9.785 13.344 20.595 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.711 10.887 20.080 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.891 11.144 19.130 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.752 12.364 19.488 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.833 12.655 18.442 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.218 12.978 17.134 1.00 0.00 N ATOM 0 H LYS A 82 -9.312 11.122 21.330 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.269 10.899 18.523 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.685 9.825 20.322 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.892 11.422 21.012 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.504 11.274 18.119 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.527 10.259 19.116 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.225 12.198 20.456 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.110 13.238 19.593 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.489 11.790 18.338 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.453 13.487 18.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.921 13.445 16.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.408 13.614 17.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.893 12.102 16.678 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.448 13.447 18.428 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.309 14.863 18.246 1.00 0.00 C ATOM 1335 C LEU A 83 -11.462 15.551 18.907 1.00 0.00 C ATOM 1336 O LEU A 83 -12.583 15.581 18.399 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.345 15.193 16.733 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.234 16.671 16.291 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.842 17.262 16.556 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.595 16.782 14.797 1.00 0.00 C ATOM 0 H LEU A 83 -10.790 12.971 17.593 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.366 15.196 18.678 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.533 14.644 16.256 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.278 14.797 16.331 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.936 17.253 16.888 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.819 18.301 16.227 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.623 17.214 17.623 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.094 16.691 16.006 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.518 17.822 14.480 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.908 16.173 14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.615 16.430 14.642 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.163 16.145 20.071 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.036 16.981 20.831 1.00 0.00 C ATOM 1354 C HIS A 84 -11.851 18.360 20.285 1.00 0.00 C ATOM 1355 O HIS A 84 -10.810 18.675 19.710 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.597 16.929 22.304 1.00 0.00 C ATOM 1357 CG HIS A 84 -11.963 18.092 23.171 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -11.144 19.020 23.714 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -13.232 18.368 23.603 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -11.924 19.858 24.462 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -13.181 19.442 24.379 1.00 0.00 N flip ATOM 0 H HIS A 84 -10.250 16.034 20.512 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.079 16.671 20.769 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.020 16.029 22.750 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.513 16.818 22.329 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -14.121 17.808 23.355 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.576 20.712 25.024 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.980 19.878 24.839 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.881 19.217 20.446 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.852 20.552 19.925 1.00 0.00 C ATOM 1372 C GLY A 85 -13.619 20.542 18.652 1.00 0.00 C ATOM 1373 O GLY A 85 -14.760 20.998 18.597 1.00 0.00 O ATOM 0 H GLY A 85 -13.741 18.981 20.942 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.293 21.252 20.635 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.826 20.876 19.754 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.980 20.001 17.602 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.571 19.875 16.306 1.00 0.00 C ATOM 1379 C GLY A 86 -13.000 20.959 15.468 1.00 0.00 C ATOM 1380 O GLY A 86 -13.697 21.557 14.651 1.00 0.00 O ATOM 0 H GLY A 86 -12.027 19.641 17.654 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.353 18.898 15.875 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.656 19.963 16.365 1.00 0.00 H new ATOM 1384 N SER A 87 -11.694 21.211 15.667 1.00 0.00 N ATOM 1385 CA SER A 87 -10.923 22.070 14.818 1.00 0.00 C ATOM 1386 C SER A 87 -10.291 21.144 13.821 1.00 0.00 C ATOM 1387 O SER A 87 -9.517 20.290 14.252 1.00 0.00 O ATOM 1388 CB SER A 87 -9.792 22.788 15.576 1.00 0.00 C ATOM 1389 OG SER A 87 -9.063 23.624 14.690 1.00 0.00 O ATOM 0 H SER A 87 -11.159 20.808 16.437 1.00 0.00 H new ATOM 0 HA SER A 87 -11.559 22.842 14.385 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.209 23.383 16.389 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.124 22.055 16.028 1.00 0.00 H new ATOM 0 HG SER A 87 -8.292 23.133 14.336 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.549 21.231 12.519 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.045 20.259 11.590 1.00 0.00 C ATOM 1397 C PRO A 88 -8.664 20.681 11.179 1.00 0.00 C ATOM 1398 O PRO A 88 -7.989 19.871 10.553 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.995 20.315 10.392 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.649 21.695 10.468 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.654 21.994 11.965 1.00 0.00 C ATOM 0 HA PRO A 88 -9.992 19.252 12.005 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.455 20.186 9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.741 19.522 10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.083 22.441 9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.658 21.686 10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.527 23.060 12.152 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.600 21.701 12.420 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.229 21.921 11.486 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.942 22.406 11.093 1.00 0.00 C ATOM 1411 C TRP A 89 -6.070 22.371 12.310 1.00 0.00 C ATOM 1412 O TRP A 89 -6.624 22.297 13.405 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.056 23.839 10.557 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.964 23.869 9.356 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.236 24.347 9.251 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.659 23.235 8.102 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.729 24.092 7.992 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.771 23.398 7.279 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.552 22.554 7.677 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.791 22.890 6.012 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.577 22.023 6.405 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.677 22.192 5.583 1.00 0.00 C ATOM 0 H TRP A 89 -8.781 22.595 12.015 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.520 21.791 10.298 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.445 24.497 11.334 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.069 24.214 10.287 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.776 24.851 10.039 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.647 24.369 7.644 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.689 22.436 8.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.647 23.028 5.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.725 21.466 6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.665 21.771 4.588 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.745 22.415 12.194 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.876 22.308 13.334 1.00 0.00 C ATOM 1435 C PRO A 90 -3.932 23.630 14.073 1.00 0.00 C ATOM 1436 O PRO A 90 -4.045 24.640 13.378 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.472 22.067 12.763 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.570 22.400 11.273 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.041 22.150 10.952 1.00 0.00 C ATOM 0 HA PRO A 90 -4.153 21.508 14.020 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.734 22.698 13.258 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.160 21.034 12.914 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.285 23.433 11.072 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.915 21.766 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.388 22.806 10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.204 21.126 10.617 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.844 23.724 15.395 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.537 22.631 16.279 1.00 0.00 C ATOM 1449 C PRO A 91 -4.779 21.860 16.572 1.00 0.00 C ATOM 1450 O PRO A 91 -5.888 22.330 16.318 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.071 23.265 17.582 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.605 24.656 17.174 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.524 25.001 16.003 1.00 0.00 C ATOM 0 HA PRO A 91 -2.792 21.968 15.838 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.879 23.314 18.312 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.263 22.692 18.037 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.707 25.371 17.991 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.556 24.659 16.877 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.424 25.513 16.344 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.029 25.664 15.294 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.559 20.660 17.122 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.593 19.705 17.367 1.00 0.00 C ATOM 1463 C CYS A 92 -5.578 19.447 18.835 1.00 0.00 C ATOM 1464 O CYS A 92 -4.506 19.360 19.433 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.303 18.347 16.707 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.819 18.434 14.957 1.00 0.00 S ATOM 0 H CYS A 92 -3.633 20.340 17.407 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.531 20.099 16.976 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.508 17.851 17.264 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.191 17.721 16.793 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.773 19.295 19.442 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.879 18.874 20.811 1.00 0.00 C ATOM 1473 C GLN A 93 -7.277 17.441 20.772 1.00 0.00 C ATOM 1474 O GLN A 93 -8.446 17.129 20.571 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.962 19.615 21.615 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.654 21.096 21.831 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.824 21.701 22.602 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.970 21.694 22.136 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.510 22.237 23.821 1.00 0.00 N ATOM 0 H GLN A 93 -7.669 19.464 18.984 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.924 19.075 21.297 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.916 19.522 21.096 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.078 19.131 22.585 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.725 21.217 22.388 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.521 21.603 20.875 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.547 22.215 24.155 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.239 22.659 24.396 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.310 16.528 20.965 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.602 15.124 20.987 1.00 0.00 C ATOM 1490 C TYR A 94 -6.757 14.715 22.399 1.00 0.00 C ATOM 1491 O TYR A 94 -5.770 14.638 23.127 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.461 14.260 20.455 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.486 14.368 18.986 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.460 13.694 18.279 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.541 15.119 18.319 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.497 13.775 16.905 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.570 15.186 16.943 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.539 14.512 16.240 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.494 14.530 14.836 1.00 0.00 O ATOM 0 H TYR A 94 -5.326 16.758 21.106 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.488 14.981 20.368 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.504 14.600 20.850 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.585 13.223 20.767 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.195 13.102 18.804 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.782 15.652 18.872 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.271 13.265 16.351 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.830 15.770 16.416 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.327 14.159 14.477 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.009 14.422 22.802 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.253 13.945 24.133 1.00 0.00 C ATOM 1511 C ARG A 95 -8.226 12.466 24.089 1.00 0.00 C ATOM 1512 O ARG A 95 -8.950 11.827 23.326 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.580 14.404 24.752 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.610 15.923 24.947 1.00 0.00 C ATOM 1515 CD ARG A 95 -8.705 16.474 26.049 1.00 0.00 C ATOM 1516 NE ARG A 95 -8.672 17.951 25.848 1.00 0.00 N ATOM 1517 CZ ARG A 95 -7.974 18.761 26.696 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -7.370 18.243 27.804 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -7.882 20.096 26.431 1.00 0.00 N ATOM 0 H ARG A 95 -8.841 14.513 22.218 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.476 14.368 24.770 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.407 14.102 24.109 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.726 13.909 25.712 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.332 16.396 24.005 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.636 16.222 25.163 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.093 16.222 27.036 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.704 16.048 25.982 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.179 18.362 25.064 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.439 17.245 28.003 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.850 18.854 28.434 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.334 20.484 25.603 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.362 20.706 27.061 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.345 11.915 24.934 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.068 10.510 24.958 1.00 0.00 C ATOM 1535 C ALA A 96 -8.047 9.824 25.849 1.00 0.00 C ATOM 1536 O ALA A 96 -8.252 10.228 26.993 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.669 10.189 25.493 1.00 0.00 C ATOM 0 H ALA A 96 -6.811 12.453 25.617 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.138 10.165 23.927 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.516 9.110 25.488 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.920 10.665 24.860 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.574 10.564 26.512 1.00 0.00 H new ATOM 1543 N THR A 97 -8.657 8.744 25.320 1.00 0.00 N ATOM 1544 CA THR A 97 -9.529 7.884 26.063 1.00 0.00 C ATOM 1545 C THR A 97 -8.821 6.573 26.019 1.00 0.00 C ATOM 1546 O THR A 97 -8.968 5.812 25.063 1.00 0.00 O ATOM 1547 CB THR A 97 -10.907 7.768 25.450 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.464 9.067 25.303 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.829 6.926 26.351 1.00 0.00 C ATOM 0 H THR A 97 -8.540 8.462 24.347 1.00 0.00 H new ATOM 0 HA THR A 97 -9.711 8.260 27.070 1.00 0.00 H new ATOM 0 HB THR A 97 -10.820 7.282 24.478 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.357 8.997 24.904 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.816 6.853 25.895 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.409 5.927 26.469 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.915 7.401 27.328 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.004 6.304 27.055 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.122 5.177 27.036 1.00 0.00 C ATOM 1559 C ALA A 98 -7.854 3.939 27.432 1.00 0.00 C ATOM 1560 O ALA A 98 -8.614 3.940 28.399 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.923 5.346 27.975 1.00 0.00 C ATOM 0 H ALA A 98 -7.954 6.866 27.905 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.750 5.099 26.014 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.289 4.461 27.919 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.349 6.223 27.677 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.277 5.474 28.998 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.628 2.849 26.667 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.286 1.601 26.915 1.00 0.00 C ATOM 1569 C GLY A 99 -7.258 0.530 26.807 1.00 0.00 C ATOM 1570 O GLY A 99 -6.067 0.804 26.670 1.00 0.00 O ATOM 0 H GLY A 99 -6.986 2.835 25.874 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.742 1.597 27.905 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.087 1.439 26.194 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.720 -0.731 26.871 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.848 -1.863 26.816 1.00 0.00 C ATOM 1576 C PHE A 100 -7.751 -2.986 26.411 1.00 0.00 C ATOM 1577 O PHE A 100 -8.584 -3.425 27.202 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.207 -2.163 28.199 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.416 -3.429 28.187 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.130 -3.429 27.693 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.932 -4.605 28.708 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.403 -4.598 27.632 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.198 -5.773 28.668 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.935 -5.774 28.116 1.00 0.00 C ATOM 0 H PHE A 100 -8.708 -0.968 26.962 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.015 -1.705 26.131 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.560 -1.334 28.486 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.990 -2.232 28.954 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.688 -2.505 27.351 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.918 -4.607 29.149 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.412 -4.593 27.203 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.613 -6.686 29.069 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.366 -6.690 28.063 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.609 -3.472 25.156 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.454 -4.525 24.663 1.00 0.00 C ATOM 1596 C ARG A 101 -7.895 -5.049 23.374 1.00 0.00 C ATOM 1597 O ARG A 101 -6.869 -4.588 22.873 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.951 -4.154 24.470 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.239 -2.945 23.564 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.263 -3.245 22.463 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.509 -3.785 23.077 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.443 -4.416 22.304 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -13.279 -4.499 20.952 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.552 -4.958 22.888 1.00 0.00 N ATOM 0 H ARG A 101 -6.914 -3.138 24.488 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.451 -5.284 25.445 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.469 -5.021 24.060 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.385 -3.958 25.451 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.604 -2.120 24.176 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.308 -2.614 23.105 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.485 -2.338 21.901 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.852 -3.965 21.756 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.666 -3.683 24.080 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.455 -4.089 20.512 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.980 -4.971 20.381 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.681 -4.891 23.898 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.251 -5.430 22.315 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.594 -6.070 22.843 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.278 -6.789 21.645 1.00 0.00 C ATOM 1620 C ASN A 102 -8.470 -5.947 20.423 1.00 0.00 C ATOM 1621 O ASN A 102 -9.419 -5.177 20.300 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.148 -8.061 21.493 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.619 -7.786 21.839 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -11.013 -7.786 23.012 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.454 -7.584 20.775 1.00 0.00 N ATOM 0 H ASN A 102 -9.444 -6.418 23.286 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.229 -7.069 21.735 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -9.077 -8.430 20.470 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.762 -8.846 22.143 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.449 -7.424 20.931 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.082 -7.593 19.825 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.536 -6.117 19.470 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.568 -5.443 18.206 1.00 0.00 C ATOM 1634 C VAL A 103 -8.148 -6.407 17.219 1.00 0.00 C ATOM 1635 O VAL A 103 -8.014 -7.617 17.383 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.191 -5.008 17.742 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.706 -3.879 18.673 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.199 -6.189 17.721 1.00 0.00 C ATOM 0 H VAL A 103 -6.736 -6.740 19.580 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.163 -4.535 18.297 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.248 -4.642 16.717 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.716 -3.549 18.359 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.401 -3.041 18.622 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.657 -4.248 19.698 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.224 -5.839 17.383 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.108 -6.605 18.724 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.564 -6.958 17.040 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.792 -5.881 16.157 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.162 -6.678 15.018 1.00 0.00 C ATOM 1650 C VAL A 104 -8.225 -6.216 13.959 1.00 0.00 C ATOM 1651 O VAL A 104 -8.533 -5.267 13.242 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.577 -6.431 14.521 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.858 -7.172 13.199 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.542 -6.973 15.573 1.00 0.00 C ATOM 0 H VAL A 104 -9.059 -4.899 16.085 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.117 -7.737 15.273 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.702 -5.362 14.351 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.880 -6.969 12.878 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.162 -6.828 12.434 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.731 -8.244 13.349 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.568 -6.810 15.244 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.370 -8.041 15.709 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.378 -6.456 16.518 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.051 -6.861 13.835 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.128 -6.431 12.800 1.00 0.00 C ATOM 1666 C VAL A 105 -6.444 -7.309 11.630 1.00 0.00 C ATOM 1667 O VAL A 105 -6.574 -8.521 11.780 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.648 -6.390 13.112 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.409 -5.314 14.181 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.038 -7.721 13.561 1.00 0.00 C ATOM 0 H VAL A 105 -6.740 -7.642 14.412 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.291 -5.367 12.629 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.141 -6.156 12.176 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.347 -5.269 14.420 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.738 -4.346 13.803 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.973 -5.563 15.080 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.975 -7.585 13.760 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.536 -8.062 14.469 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.168 -8.464 12.775 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.614 -6.706 10.439 1.00 0.00 N ATOM 1681 CA ALA A 106 -6.965 -7.457 9.271 1.00 0.00 C ATOM 1682 C ALA A 106 -5.699 -7.858 8.608 1.00 0.00 C ATOM 1683 O ALA A 106 -4.851 -7.012 8.319 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.816 -6.682 8.266 1.00 0.00 C ATOM 0 H ALA A 106 -6.509 -5.703 10.284 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.568 -8.306 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.039 -7.319 7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.747 -6.372 8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.269 -5.801 7.929 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.563 -9.182 8.388 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.321 -9.772 8.001 1.00 0.00 C ATOM 1692 C CYS A 107 -4.347 -10.157 6.563 1.00 0.00 C ATOM 1693 O CYS A 107 -5.295 -10.779 6.085 1.00 0.00 O ATOM 1694 CB CYS A 107 -3.981 -11.028 8.820 1.00 0.00 C ATOM 1695 SG CYS A 107 -2.249 -11.475 8.608 1.00 0.00 S ATOM 0 H CYS A 107 -6.328 -9.850 8.481 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.560 -9.014 8.187 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.189 -10.848 9.875 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.617 -11.856 8.506 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.256 -9.802 5.856 1.00 0.00 N ATOM 1701 CA GLU A 108 -2.998 -10.255 4.524 1.00 0.00 C ATOM 1702 C GLU A 108 -1.585 -10.737 4.558 1.00 0.00 C ATOM 1703 O GLU A 108 -0.693 -9.989 4.948 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.113 -9.122 3.483 1.00 0.00 C ATOM 1705 CG GLU A 108 -2.910 -9.572 2.031 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.161 -8.369 1.133 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.431 -7.354 1.283 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.087 -8.452 0.283 1.00 0.00 O ATOM 0 H GLU A 108 -2.534 -9.182 6.223 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.721 -11.017 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.096 -8.661 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.377 -8.353 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.899 -9.952 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.594 -10.383 1.783 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.362 -12.004 4.139 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.083 -12.661 3.946 1.00 0.00 C ATOM 1717 C ASN A 109 0.740 -12.920 5.182 1.00 0.00 C ATOM 1718 O ASN A 109 1.931 -13.215 5.076 1.00 0.00 O ATOM 1719 CB ASN A 109 0.823 -12.100 2.804 1.00 0.00 C ATOM 1720 CG ASN A 109 1.483 -10.729 3.046 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.435 -10.581 3.820 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.969 -9.702 2.302 1.00 0.00 N ATOM 0 H ASN A 109 -2.140 -12.625 3.915 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.453 -13.630 3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.612 -12.826 2.609 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.222 -12.032 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.373 -8.768 2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.182 -9.870 1.676 1.00 0.00 H new ATOM 1729 N GLY A 110 0.136 -12.838 6.387 1.00 0.00 N ATOM 1730 CA GLY A 110 0.863 -13.034 7.612 1.00 0.00 C ATOM 1731 C GLY A 110 1.433 -11.720 8.049 1.00 0.00 C ATOM 1732 O GLY A 110 2.400 -11.680 8.809 1.00 0.00 O ATOM 0 H GLY A 110 -0.856 -12.636 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.204 -13.435 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.661 -13.762 7.465 1.00 0.00 H new ATOM 1736 N LEU A 111 0.822 -10.617 7.572 1.00 0.00 N ATOM 1737 CA LEU A 111 1.244 -9.289 7.913 1.00 0.00 C ATOM 1738 C LEU A 111 -0.040 -8.566 8.212 1.00 0.00 C ATOM 1739 O LEU A 111 -0.898 -8.574 7.336 1.00 0.00 O ATOM 1740 CB LEU A 111 1.899 -8.611 6.698 1.00 0.00 C ATOM 1741 CG LEU A 111 2.643 -7.291 6.929 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.872 -7.386 7.841 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.053 -6.697 5.575 1.00 0.00 C ATOM 0 H LEU A 111 0.022 -10.647 6.940 1.00 0.00 H new ATOM 0 HA LEU A 111 1.960 -9.285 8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.602 -9.319 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.121 -8.431 5.956 1.00 0.00 H new ATOM 0 HG LEU A 111 1.941 -6.646 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.328 -6.401 7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.569 -7.747 8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.594 -8.077 7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.583 -5.758 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.705 -7.397 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.163 -6.514 4.974 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.281 -7.962 9.357 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.540 -7.317 9.613 1.00 0.00 C ATOM 1757 C PRO A 112 -1.469 -5.987 8.932 1.00 0.00 C ATOM 1758 O PRO A 112 -0.753 -5.118 9.412 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.618 -7.192 11.129 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.181 -7.329 11.626 1.00 0.00 C ATOM 1761 CD PRO A 112 0.480 -8.204 10.564 1.00 0.00 C ATOM 0 HA PRO A 112 -2.421 -7.845 9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.044 -6.233 11.422 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.256 -7.967 11.554 1.00 0.00 H new ATOM 0 HG2 PRO A 112 0.309 -6.359 11.709 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.139 -7.793 12.611 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.529 -7.939 10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.451 -9.257 10.845 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.203 -5.810 7.816 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.038 -4.668 6.962 1.00 0.00 C ATOM 1771 C VAL A 113 -2.987 -3.576 7.341 1.00 0.00 C ATOM 1772 O VAL A 113 -2.798 -2.428 6.942 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.237 -4.988 5.492 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -0.977 -5.718 4.992 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.518 -5.820 5.265 1.00 0.00 C ATOM 0 H VAL A 113 -2.919 -6.465 7.501 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.007 -4.344 7.103 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.374 -4.069 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.092 -5.961 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.107 -5.074 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.838 -6.636 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.631 -6.032 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.445 -6.758 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.384 -5.259 5.617 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.049 -3.922 8.095 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.115 -2.996 8.346 1.00 0.00 C ATOM 1787 C HIS A 114 -5.589 -3.311 9.722 1.00 0.00 C ATOM 1788 O HIS A 114 -5.071 -4.228 10.354 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.225 -3.181 7.285 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.590 -2.614 7.566 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -7.908 -1.304 7.330 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -8.709 -3.219 8.038 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.184 -1.122 7.644 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.693 -2.269 8.076 1.00 0.00 N ATOM 0 H HIS A 114 -4.170 -4.837 8.529 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.803 -1.954 8.279 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -5.869 -2.741 6.353 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.340 -4.251 7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.805 -4.255 8.329 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.723 -0.189 7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.654 -2.417 8.384 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.563 -2.525 10.222 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.127 -2.692 11.524 1.00 0.00 C ATOM 1805 C LEU A 115 -8.450 -2.020 11.447 1.00 0.00 C ATOM 1806 O LEU A 115 -8.559 -0.884 10.987 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.169 -2.076 12.551 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.525 -1.789 14.029 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.955 -0.333 14.204 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.350 -2.858 14.749 1.00 0.00 C ATOM 0 H LEU A 115 -6.970 -1.748 9.701 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.265 -3.727 11.837 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.294 -2.726 12.573 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.848 -1.124 12.129 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.606 -1.896 14.605 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.202 -0.150 15.250 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.141 0.326 13.902 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.830 -0.135 13.585 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.536 -2.544 15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.301 -2.992 14.233 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.802 -3.800 14.751 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.487 -2.761 11.888 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.852 -2.333 11.869 1.00 0.00 C ATOM 1824 C ASP A 116 -11.038 -1.364 12.994 1.00 0.00 C ATOM 1825 O ASP A 116 -10.363 -1.435 14.020 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.823 -3.520 12.038 1.00 0.00 C ATOM 1827 CG ASP A 116 -13.245 -3.101 11.681 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -13.461 -2.670 10.518 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -14.134 -3.215 12.566 1.00 0.00 O ATOM 0 H ASP A 116 -9.367 -3.698 12.274 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.072 -1.870 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.510 -4.347 11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.791 -3.880 13.066 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.980 -0.422 12.806 1.00 0.00 N ATOM 1835 CA GLN A 117 -12.175 0.687 13.682 1.00 0.00 C ATOM 1836 C GLN A 117 -13.527 0.452 14.278 1.00 0.00 C ATOM 1837 O GLN A 117 -14.443 1.254 14.104 1.00 0.00 O ATOM 1838 CB GLN A 117 -12.227 2.047 12.943 1.00 0.00 C ATOM 1839 CG GLN A 117 -11.015 2.368 12.051 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.718 2.420 12.858 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.716 1.815 12.462 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.743 3.177 13.993 1.00 0.00 N ATOM 0 H GLN A 117 -12.627 -0.435 12.017 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.352 0.745 14.394 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.125 2.070 12.326 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.329 2.839 13.685 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.928 1.613 11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.173 3.325 11.553 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.601 3.654 14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.903 3.266 14.565 1.00 0.00 H new ATOM 1851 N SER A 118 -13.665 -0.699 14.963 1.00 0.00 N ATOM 1852 CA SER A 118 -14.904 -1.189 15.502 1.00 0.00 C ATOM 1853 C SER A 118 -15.417 -0.289 16.581 1.00 0.00 C ATOM 1854 O SER A 118 -16.454 0.347 16.405 1.00 0.00 O ATOM 1855 CB SER A 118 -14.781 -2.611 16.077 1.00 0.00 C ATOM 1856 OG SER A 118 -16.033 -3.045 16.589 1.00 0.00 O ATOM 0 H SER A 118 -12.877 -1.319 15.151 1.00 0.00 H new ATOM 0 HA SER A 118 -15.601 -1.211 14.664 1.00 0.00 H new ATOM 0 HB2 SER A 118 -14.440 -3.296 15.301 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.031 -2.627 16.868 1.00 0.00 H new ATOM 0 HG SER A 118 -15.942 -3.951 16.950 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.694 -0.224 17.726 1.00 0.00 N ATOM 1863 CA ILE A 119 -15.067 0.641 18.819 1.00 0.00 C ATOM 1864 C ILE A 119 -14.202 1.852 18.756 1.00 0.00 C ATOM 1865 O ILE A 119 -14.274 2.731 19.613 1.00 0.00 O ATOM 1866 CB ILE A 119 -15.069 -0.001 20.204 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -13.711 -0.101 20.943 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -15.671 -1.401 20.006 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -13.866 -0.563 22.397 1.00 0.00 C ATOM 0 H ILE A 119 -13.850 -0.771 17.895 1.00 0.00 H new ATOM 0 HA ILE A 119 -16.117 0.900 18.684 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.641 0.653 20.862 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.062 -0.797 20.411 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -13.219 0.871 20.925 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.704 -1.922 20.963 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -16.682 -1.310 19.608 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.055 -1.966 19.306 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.885 -0.616 22.868 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.491 0.146 22.939 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.332 -1.548 22.418 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.325 1.892 17.731 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.249 2.834 17.643 1.00 0.00 C ATOM 1883 C PHE A 120 -12.669 3.930 16.726 1.00 0.00 C ATOM 1884 O PHE A 120 -11.874 4.812 16.408 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.990 2.246 16.989 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.404 1.032 17.651 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.783 0.530 18.890 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.389 0.387 16.973 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -10.164 -0.580 19.430 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.773 -0.716 17.517 1.00 0.00 C ATOM 1891 CZ PHE A 120 -9.151 -1.209 18.745 1.00 0.00 C ATOM 0 H PHE A 120 -13.367 1.249 16.940 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.027 3.151 18.662 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.227 1.992 15.956 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.225 3.022 16.959 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.575 1.016 19.440 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.076 0.752 16.006 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.476 -0.955 20.393 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.979 -1.204 16.971 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.660 -2.075 19.164 1.00 0.00 H new ATOM 1901 N ARG A 121 -13.935 3.872 16.274 1.00 0.00 N ATOM 1902 CA ARG A 121 -14.544 4.924 15.512 1.00 0.00 C ATOM 1903 C ARG A 121 -15.469 5.626 16.459 1.00 0.00 C ATOM 1904 O ARG A 121 -15.778 6.804 16.284 1.00 0.00 O ATOM 1905 CB ARG A 121 -15.289 4.411 14.261 1.00 0.00 C ATOM 1906 CG ARG A 121 -15.920 5.481 13.347 1.00 0.00 C ATOM 1907 CD ARG A 121 -14.954 6.558 12.826 1.00 0.00 C ATOM 1908 NE ARG A 121 -13.811 5.911 12.107 1.00 0.00 N ATOM 1909 CZ ARG A 121 -13.819 5.710 10.755 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -14.902 6.051 10.000 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -12.724 5.160 10.152 1.00 0.00 N ATOM 0 H ARG A 121 -14.551 3.077 16.441 1.00 0.00 H new ATOM 0 HA ARG A 121 -13.784 5.596 15.115 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -14.591 3.823 13.666 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.078 3.734 14.588 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -16.375 4.981 12.492 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -16.724 5.973 13.894 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -15.480 7.237 12.155 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -14.581 7.157 13.657 1.00 0.00 H new ATOM 0 HE ARG A 121 -12.998 5.610 12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -15.723 6.463 10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -14.891 5.894 8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -11.910 4.903 10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -12.720 5.006 9.144 1.00 0.00 H new ATOM 1925 N ARG A 122 -15.904 4.902 17.513 1.00 0.00 N ATOM 1926 CA ARG A 122 -16.661 5.475 18.591 1.00 0.00 C ATOM 1927 C ARG A 122 -15.650 6.128 19.498 1.00 0.00 C ATOM 1928 O ARG A 122 -14.542 5.604 19.607 1.00 0.00 O ATOM 1929 CB ARG A 122 -17.396 4.429 19.460 1.00 0.00 C ATOM 1930 CG ARG A 122 -18.721 3.870 18.909 1.00 0.00 C ATOM 1931 CD ARG A 122 -18.621 2.991 17.657 1.00 0.00 C ATOM 1932 NE ARG A 122 -18.821 3.852 16.457 1.00 0.00 N ATOM 1933 CZ ARG A 122 -18.928 3.303 15.213 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -18.774 1.959 15.035 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -19.183 4.104 14.136 1.00 0.00 N ATOM 0 H ARG A 122 -15.727 3.903 17.618 1.00 0.00 H new ATOM 0 HA ARG A 122 -17.410 6.141 18.162 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -16.719 3.592 19.628 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -17.596 4.877 20.433 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -19.201 3.289 19.697 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -19.379 4.709 18.686 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -17.648 2.502 17.614 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -19.373 2.202 17.687 1.00 0.00 H new ATOM 0 HE ARG A 122 -18.879 4.864 16.567 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -18.578 1.358 15.835 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -18.855 1.556 14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -19.293 5.110 14.263 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -19.263 3.696 13.205 1.00 0.00 H new ATOM 1949 N PRO A 123 -15.938 7.228 20.171 1.00 0.00 N ATOM 1950 CA PRO A 123 -15.000 7.845 21.064 1.00 0.00 C ATOM 1951 C PRO A 123 -14.872 6.925 22.250 1.00 0.00 C ATOM 1952 O PRO A 123 -13.717 6.726 22.715 1.00 0.00 O ATOM 1953 CB PRO A 123 -15.636 9.183 21.449 1.00 0.00 C ATOM 1954 CG PRO A 123 -17.130 9.012 21.159 1.00 0.00 C ATOM 1955 CD PRO A 123 -17.151 8.007 20.008 1.00 0.00 C ATOM 1956 OXT PRO A 123 -15.916 6.423 22.752 1.00 0.00 O ATOM 0 HA PRO A 123 -14.008 8.013 20.644 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.462 9.414 22.500 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -15.213 10.002 20.868 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.669 8.638 22.030 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.596 9.956 20.877 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.037 7.373 20.053 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -17.169 8.512 19.042 1.00 0.00 H new TER 1964 PRO A 123