USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 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 26 TYR OH : rot -177:sc= 0.832 USER MOD Set 1.2: A 74 ASN : amide:sc= 1.85 K(o=2.7,f=-6.7!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 174:sc= 0.113 (180deg=0.0853) USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 TYR OH : rot 130:sc= 1.51 USER MOD Set 3.2: A 14 SER OG : rot -33:sc= 1.22 USER MOD Set 3.3: A 48 GLN : amide:sc= 0.74 X(o=3.5,f=3.3) USER MOD Set 4.1: A 1 LYS N :NH3+ 154:sc= -0.0124 (180deg=-0.0461) USER MOD Set 4.2: A 3 THR OG1 : rot 66:sc= 1.35 USER MOD Set 4.3: A 5 GLN : amide:sc= 0.651 K(o=2,f=0.67) USER MOD Single : A 1 LYS NZ :NH3+ -173:sc= 0.954 (180deg=0.831) USER MOD Single : A 4 MET CE :methyl 176:sc= -0.0671 (180deg=-0.102) USER MOD Single : A 9 ASN : amide:sc= 0.548 K(o=0.55,f=-0.35) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 0.78 (180deg=0.685) USER MOD Single : A 17 SER OG : rot 180:sc= 0.124 USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0.808 (180deg=0.476) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= 0.427 (180deg=-0.197) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.16) USER MOD Single : A 38 ASN : amide:sc= 0.867 K(o=0.87,f=-0.0068) USER MOD Single : A 47 HIS : no HE2:sc= 0.471 K(o=0.47,f=-3.2!) USER MOD Single : A 59 ASN : amide:sc= 0.951 K(o=0.95,f=-9!) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 1.06 (180deg=1.02) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0235) USER MOD Single : A 66 SER OG : rot 120:sc= 0.0662 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.506 USER MOD Single : A 84 ASN : amide:sc= 0.519 K(o=0.52,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.876 -0.284 -6.605 1.00 0.00 N ATOM 2 CA LYS A 1 -4.393 0.764 -5.706 1.00 0.00 C ATOM 3 C LYS A 1 -3.258 1.362 -4.871 1.00 0.00 C ATOM 4 O LYS A 1 -2.389 0.634 -4.398 1.00 0.00 O ATOM 5 CB LYS A 1 -5.536 0.246 -4.821 1.00 0.00 C ATOM 6 CG LYS A 1 -5.180 -1.050 -4.074 1.00 0.00 C ATOM 7 CD LYS A 1 -6.282 -1.485 -3.096 1.00 0.00 C ATOM 8 CE LYS A 1 -6.534 -0.488 -1.956 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.295 -0.141 -1.238 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.636 -0.959 -6.824 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.535 0.151 -7.486 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.092 -0.784 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.813 1.558 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.803 1.015 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.416 0.072 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.005 -1.846 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.248 -0.906 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.209 -1.629 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.013 -2.451 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.984 0.419 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.252 -0.914 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.527 0.439 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.816 -1.012 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.666 0.395 -1.870 1.00 0.00 H new ATOM 25 N ALA A 2 -3.268 2.685 -4.694 1.00 0.00 N ATOM 26 CA ALA A 2 -2.179 3.470 -4.122 1.00 0.00 C ATOM 27 C ALA A 2 -0.794 3.057 -4.645 1.00 0.00 C ATOM 28 O ALA A 2 0.193 3.085 -3.915 1.00 0.00 O ATOM 29 CB ALA A 2 -2.272 3.458 -2.594 1.00 0.00 C ATOM 0 H ALA A 2 -4.069 3.259 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.298 4.500 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.455 4.046 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.225 3.887 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.202 2.432 -2.233 1.00 0.00 H new ATOM 35 N THR A 3 -0.728 2.738 -5.941 1.00 0.00 N ATOM 36 CA THR A 3 0.486 2.525 -6.716 1.00 0.00 C ATOM 37 C THR A 3 0.511 3.687 -7.706 1.00 0.00 C ATOM 38 O THR A 3 0.327 3.484 -8.906 1.00 0.00 O ATOM 39 CB THR A 3 0.367 1.183 -7.456 1.00 0.00 C ATOM 40 OG1 THR A 3 -0.820 1.194 -8.233 1.00 0.00 O ATOM 41 CG2 THR A 3 0.357 -0.013 -6.503 1.00 0.00 C ATOM 0 H THR A 3 -1.570 2.616 -6.504 1.00 0.00 H new ATOM 0 HA THR A 3 1.392 2.490 -6.111 1.00 0.00 H new ATOM 0 HB THR A 3 1.244 1.070 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.742 1.868 -8.940 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.271 -0.935 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.283 -0.028 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.491 0.071 -5.823 1.00 0.00 H new ATOM 49 N MET A 4 0.632 4.910 -7.187 1.00 0.00 N ATOM 50 CA MET A 4 0.427 6.134 -7.952 1.00 0.00 C ATOM 51 C MET A 4 -1.051 6.192 -8.399 1.00 0.00 C ATOM 52 O MET A 4 -1.379 6.745 -9.445 1.00 0.00 O ATOM 53 CB MET A 4 1.439 6.252 -9.107 1.00 0.00 C ATOM 54 CG MET A 4 1.673 7.717 -9.505 1.00 0.00 C ATOM 55 SD MET A 4 2.643 8.710 -8.337 1.00 0.00 S ATOM 56 CE MET A 4 4.291 8.011 -8.592 1.00 0.00 C ATOM 0 H MET A 4 0.878 5.077 -6.211 1.00 0.00 H new ATOM 0 HA MET A 4 0.619 7.009 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.385 5.799 -8.810 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.075 5.694 -9.969 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.176 7.735 -10.472 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.703 8.196 -9.641 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.017 8.564 -7.996 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.293 6.964 -8.287 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.557 8.083 -9.647 1.00 0.00 H new ATOM 66 N GLN A 5 -1.938 5.586 -7.595 1.00 0.00 N ATOM 67 CA GLN A 5 -3.371 5.447 -7.828 1.00 0.00 C ATOM 68 C GLN A 5 -4.091 5.546 -6.478 1.00 0.00 C ATOM 69 O GLN A 5 -4.742 4.595 -6.047 1.00 0.00 O ATOM 70 CB GLN A 5 -3.660 4.084 -8.483 1.00 0.00 C ATOM 71 CG GLN A 5 -3.044 3.921 -9.876 1.00 0.00 C ATOM 72 CD GLN A 5 -3.466 2.601 -10.514 1.00 0.00 C ATOM 73 OE1 GLN A 5 -4.170 2.590 -11.518 1.00 0.00 O ATOM 74 NE2 GLN A 5 -3.060 1.467 -9.945 1.00 0.00 N ATOM 0 H GLN A 5 -1.650 5.157 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.724 6.234 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.282 3.293 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.739 3.948 -8.556 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.352 4.751 -10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.957 3.962 -9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.475 1.496 -9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.334 0.569 -10.344 1.00 0.00 H new ATOM 83 N CYS A 6 -3.908 6.660 -5.767 1.00 0.00 N ATOM 84 CA CYS A 6 -4.487 6.871 -4.441 1.00 0.00 C ATOM 85 C CYS A 6 -5.952 7.301 -4.586 1.00 0.00 C ATOM 86 O CYS A 6 -6.537 7.155 -5.659 1.00 0.00 O ATOM 87 CB CYS A 6 -3.645 7.884 -3.649 1.00 0.00 C ATOM 88 SG CYS A 6 -2.024 7.313 -3.092 1.00 0.00 S ATOM 0 H CYS A 6 -3.349 7.446 -6.099 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.474 5.941 -3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.502 8.769 -4.269 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.217 8.196 -2.775 1.00 0.00 H new ATOM 93 N GLY A 7 -6.575 7.831 -3.526 1.00 0.00 N ATOM 94 CA GLY A 7 -7.987 8.184 -3.539 1.00 0.00 C ATOM 95 C GLY A 7 -8.291 9.475 -4.304 1.00 0.00 C ATOM 96 O GLY A 7 -8.915 10.374 -3.745 1.00 0.00 O ATOM 0 H GLY A 7 -6.109 8.024 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.553 7.366 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.336 8.290 -2.512 1.00 0.00 H new ATOM 100 N GLU A 8 -7.896 9.546 -5.581 1.00 0.00 N ATOM 101 CA GLU A 8 -8.237 10.555 -6.573 1.00 0.00 C ATOM 102 C GLU A 8 -7.779 11.970 -6.203 1.00 0.00 C ATOM 103 O GLU A 8 -6.892 12.517 -6.855 1.00 0.00 O ATOM 104 CB GLU A 8 -9.730 10.458 -6.882 1.00 0.00 C ATOM 105 CG GLU A 8 -10.070 9.144 -7.598 1.00 0.00 C ATOM 106 CD GLU A 8 -11.568 9.031 -7.855 1.00 0.00 C ATOM 107 OE1 GLU A 8 -12.010 9.577 -8.889 1.00 0.00 O ATOM 108 OE2 GLU A 8 -12.244 8.408 -7.007 1.00 0.00 O ATOM 0 H GLU A 8 -7.278 8.836 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.676 10.345 -7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.300 10.527 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.030 11.301 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.531 9.091 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.737 8.300 -6.994 1.00 0.00 H new ATOM 115 N ASN A 9 -8.355 12.573 -5.161 1.00 0.00 N ATOM 116 CA ASN A 9 -7.851 13.821 -4.598 1.00 0.00 C ATOM 117 C ASN A 9 -6.575 13.522 -3.802 1.00 0.00 C ATOM 118 O ASN A 9 -6.544 13.559 -2.570 1.00 0.00 O ATOM 119 CB ASN A 9 -8.940 14.599 -3.836 1.00 0.00 C ATOM 120 CG ASN A 9 -9.794 13.792 -2.859 1.00 0.00 C ATOM 121 OD1 ASN A 9 -11.016 13.784 -2.961 1.00 0.00 O ATOM 122 ND2 ASN A 9 -9.175 13.137 -1.889 1.00 0.00 N ATOM 0 H ASN A 9 -9.181 12.209 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.572 14.512 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.460 15.406 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.603 15.063 -4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.716 12.609 -1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.157 13.160 -1.827 1.00 0.00 H new ATOM 129 N GLU A 10 -5.523 13.182 -4.550 1.00 0.00 N ATOM 130 CA GLU A 10 -4.206 12.786 -4.083 1.00 0.00 C ATOM 131 C GLU A 10 -3.152 13.795 -4.546 1.00 0.00 C ATOM 132 O GLU A 10 -3.467 14.756 -5.245 1.00 0.00 O ATOM 133 CB GLU A 10 -3.918 11.369 -4.600 1.00 0.00 C ATOM 134 CG GLU A 10 -3.710 11.295 -6.124 1.00 0.00 C ATOM 135 CD GLU A 10 -3.947 9.885 -6.658 1.00 0.00 C ATOM 136 OE1 GLU A 10 -5.131 9.555 -6.877 1.00 0.00 O ATOM 137 OE2 GLU A 10 -2.951 9.142 -6.801 1.00 0.00 O ATOM 0 H GLU A 10 -5.580 13.178 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.171 12.776 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.028 10.984 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.746 10.716 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.389 11.990 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.696 11.611 -6.369 1.00 0.00 H new ATOM 144 N LYS A 11 -1.897 13.560 -4.167 1.00 0.00 N ATOM 145 CA LYS A 11 -0.749 14.370 -4.528 1.00 0.00 C ATOM 146 C LYS A 11 0.455 13.434 -4.634 1.00 0.00 C ATOM 147 O LYS A 11 0.584 12.508 -3.837 1.00 0.00 O ATOM 148 CB LYS A 11 -0.563 15.435 -3.437 1.00 0.00 C ATOM 149 CG LYS A 11 0.698 16.299 -3.537 1.00 0.00 C ATOM 150 CD LYS A 11 0.731 17.140 -4.817 1.00 0.00 C ATOM 151 CE LYS A 11 2.035 17.941 -4.914 1.00 0.00 C ATOM 152 NZ LYS A 11 3.190 17.075 -5.212 1.00 0.00 N ATOM 0 H LYS A 11 -1.649 12.766 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.875 14.882 -5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.431 16.094 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.559 14.935 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.753 16.959 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.578 15.657 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.634 16.490 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.120 17.821 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.939 18.699 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.208 18.468 -3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.069 17.569 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.115 16.195 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.201 16.849 -6.227 1.00 0.00 H new ATOM 166 N TYR A 12 1.332 13.661 -5.614 1.00 0.00 N ATOM 167 CA TYR A 12 2.612 12.972 -5.689 1.00 0.00 C ATOM 168 C TYR A 12 3.443 13.314 -4.451 1.00 0.00 C ATOM 169 O TYR A 12 3.540 14.487 -4.094 1.00 0.00 O ATOM 170 CB TYR A 12 3.357 13.408 -6.957 1.00 0.00 C ATOM 171 CG TYR A 12 4.816 12.994 -6.957 1.00 0.00 C ATOM 172 CD1 TYR A 12 5.158 11.652 -7.201 1.00 0.00 C ATOM 173 CD2 TYR A 12 5.786 13.877 -6.444 1.00 0.00 C ATOM 174 CE1 TYR A 12 6.462 11.197 -6.943 1.00 0.00 C ATOM 175 CE2 TYR A 12 7.075 13.410 -6.139 1.00 0.00 C ATOM 176 CZ TYR A 12 7.411 12.070 -6.383 1.00 0.00 C ATOM 177 OH TYR A 12 8.650 11.610 -6.053 1.00 0.00 O ATOM 0 H TYR A 12 1.172 14.325 -6.372 1.00 0.00 H new ATOM 0 HA TYR A 12 2.448 11.895 -5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.863 12.978 -7.828 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.292 14.492 -7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.416 10.969 -7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.538 14.916 -6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.735 10.178 -7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.807 14.082 -5.717 1.00 0.00 H new ATOM 0 HH TYR A 12 9.331 12.204 -6.433 1.00 0.00 H new ATOM 187 N ASP A 13 4.089 12.325 -3.831 1.00 0.00 N ATOM 188 CA ASP A 13 5.018 12.568 -2.740 1.00 0.00 C ATOM 189 C ASP A 13 6.178 11.583 -2.818 1.00 0.00 C ATOM 190 O ASP A 13 5.983 10.381 -3.010 1.00 0.00 O ATOM 191 CB ASP A 13 4.294 12.451 -1.396 1.00 0.00 C ATOM 192 CG ASP A 13 5.231 12.655 -0.207 1.00 0.00 C ATOM 193 OD1 ASP A 13 6.152 13.491 -0.339 1.00 0.00 O ATOM 194 OD2 ASP A 13 5.011 11.970 0.814 1.00 0.00 O ATOM 0 H ASP A 13 3.980 11.340 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 13 5.416 13.579 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.492 13.188 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.828 11.469 -1.323 1.00 0.00 H new ATOM 199 N SER A 14 7.393 12.086 -2.607 1.00 0.00 N ATOM 200 CA SER A 14 8.596 11.279 -2.533 1.00 0.00 C ATOM 201 C SER A 14 8.690 10.539 -1.190 1.00 0.00 C ATOM 202 O SER A 14 9.764 10.528 -0.594 1.00 0.00 O ATOM 203 CB SER A 14 9.810 12.196 -2.735 1.00 0.00 C ATOM 204 OG SER A 14 9.648 12.989 -3.900 1.00 0.00 O ATOM 0 H SER A 14 7.565 13.083 -2.481 1.00 0.00 H new ATOM 0 HA SER A 14 8.570 10.520 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.935 12.840 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.716 11.596 -2.820 1.00 0.00 H new ATOM 0 HG SER A 14 9.147 12.483 -4.573 1.00 0.00 H new ATOM 210 N CYS A 15 7.598 9.931 -0.703 1.00 0.00 N ATOM 211 CA CYS A 15 7.609 9.200 0.563 1.00 0.00 C ATOM 212 C CYS A 15 6.376 8.308 0.732 1.00 0.00 C ATOM 213 O CYS A 15 5.434 8.636 1.447 1.00 0.00 O ATOM 214 CB CYS A 15 7.806 10.123 1.777 1.00 0.00 C ATOM 215 SG CYS A 15 8.649 9.335 3.186 1.00 0.00 S ATOM 0 H CYS A 15 6.693 9.934 -1.174 1.00 0.00 H new ATOM 0 HA CYS A 15 8.478 8.543 0.520 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.381 10.996 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.832 10.484 2.107 1.00 0.00 H new ATOM 220 N GLY A 16 6.408 7.134 0.109 1.00 0.00 N ATOM 221 CA GLY A 16 5.436 6.078 0.326 1.00 0.00 C ATOM 222 C GLY A 16 4.121 6.328 -0.400 1.00 0.00 C ATOM 223 O GLY A 16 3.858 7.416 -0.904 1.00 0.00 O ATOM 0 H GLY A 16 7.126 6.889 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.856 5.130 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.243 5.982 1.395 1.00 0.00 H new ATOM 227 N SER A 17 3.273 5.298 -0.406 1.00 0.00 N ATOM 228 CA SER A 17 1.918 5.303 -0.933 1.00 0.00 C ATOM 229 C SER A 17 0.913 5.915 0.054 1.00 0.00 C ATOM 230 O SER A 17 -0.290 5.909 -0.210 1.00 0.00 O ATOM 231 CB SER A 17 1.579 3.839 -1.231 1.00 0.00 C ATOM 232 OG SER A 17 2.095 3.018 -0.193 1.00 0.00 O ATOM 0 H SER A 17 3.533 4.390 -0.021 1.00 0.00 H new ATOM 0 HA SER A 17 1.856 5.922 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.499 3.712 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.004 3.543 -2.190 1.00 0.00 H new ATOM 0 HG SER A 17 1.879 2.081 -0.379 1.00 0.00 H new ATOM 238 N LYS A 18 1.384 6.370 1.223 1.00 0.00 N ATOM 239 CA LYS A 18 0.539 6.799 2.330 1.00 0.00 C ATOM 240 C LYS A 18 1.222 7.849 3.203 1.00 0.00 C ATOM 241 O LYS A 18 0.575 8.807 3.619 1.00 0.00 O ATOM 242 CB LYS A 18 0.167 5.607 3.233 1.00 0.00 C ATOM 243 CG LYS A 18 -0.606 4.497 2.510 1.00 0.00 C ATOM 244 CD LYS A 18 -1.031 3.357 3.449 1.00 0.00 C ATOM 245 CE LYS A 18 -2.041 3.764 4.531 1.00 0.00 C ATOM 246 NZ LYS A 18 -3.254 4.364 3.949 1.00 0.00 N ATOM 0 H LYS A 18 2.381 6.449 1.423 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.354 7.231 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.079 5.185 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.433 5.970 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.492 4.924 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.014 4.091 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.462 2.553 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.142 2.953 3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.315 2.889 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.576 4.475 5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.031 4.315 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.068 5.358 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.521 3.843 3.089 1.00 0.00 H new ATOM 260 N GLU A 19 2.511 7.661 3.520 1.00 0.00 N ATOM 261 CA GLU A 19 3.307 8.392 4.517 1.00 0.00 C ATOM 262 C GLU A 19 2.663 8.565 5.912 1.00 0.00 C ATOM 263 O GLU A 19 3.366 8.892 6.865 1.00 0.00 O ATOM 264 CB GLU A 19 3.657 9.777 3.939 1.00 0.00 C ATOM 265 CG GLU A 19 5.096 10.236 4.222 1.00 0.00 C ATOM 266 CD GLU A 19 5.444 10.439 5.692 1.00 0.00 C ATOM 267 OE1 GLU A 19 4.885 11.387 6.285 1.00 0.00 O ATOM 268 OE2 GLU A 19 6.274 9.647 6.192 1.00 0.00 O ATOM 0 H GLU A 19 3.064 6.943 3.053 1.00 0.00 H new ATOM 0 HA GLU A 19 4.186 7.774 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.500 9.758 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.966 10.514 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.782 9.500 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.270 11.173 3.693 1.00 0.00 H new ATOM 275 N CYS A 20 1.365 8.295 6.097 1.00 0.00 N ATOM 276 CA CYS A 20 0.609 8.628 7.295 1.00 0.00 C ATOM 277 C CYS A 20 0.909 10.057 7.756 1.00 0.00 C ATOM 278 O CYS A 20 0.850 10.352 8.947 1.00 0.00 O ATOM 279 CB CYS A 20 0.909 7.579 8.373 1.00 0.00 C ATOM 280 SG CYS A 20 0.146 5.963 8.104 1.00 0.00 S ATOM 0 H CYS A 20 0.801 7.824 5.390 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.460 8.604 7.083 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.989 7.447 8.439 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.576 7.965 9.336 1.00 0.00 H new ATOM 285 N ASP A 21 1.173 10.949 6.789 1.00 0.00 N ATOM 286 CA ASP A 21 1.520 12.342 7.026 1.00 0.00 C ATOM 287 C ASP A 21 0.332 13.018 7.709 1.00 0.00 C ATOM 288 O ASP A 21 0.373 13.301 8.902 1.00 0.00 O ATOM 289 CB ASP A 21 1.915 13.011 5.696 1.00 0.00 C ATOM 290 CG ASP A 21 2.073 14.520 5.857 1.00 0.00 C ATOM 291 OD1 ASP A 21 2.844 14.920 6.755 1.00 0.00 O ATOM 292 OD2 ASP A 21 1.408 15.247 5.088 1.00 0.00 O ATOM 0 H ASP A 21 1.148 10.707 5.799 1.00 0.00 H new ATOM 0 HA ASP A 21 2.384 12.434 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.850 12.582 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.156 12.802 4.942 1.00 0.00 H new ATOM 297 N LYS A 22 -0.750 13.243 6.961 1.00 0.00 N ATOM 298 CA LYS A 22 -2.021 13.666 7.528 1.00 0.00 C ATOM 299 C LYS A 22 -2.854 12.416 7.821 1.00 0.00 C ATOM 300 O LYS A 22 -3.940 12.242 7.271 1.00 0.00 O ATOM 301 CB LYS A 22 -2.725 14.646 6.582 1.00 0.00 C ATOM 302 CG LYS A 22 -1.918 15.940 6.439 1.00 0.00 C ATOM 303 CD LYS A 22 -2.654 16.913 5.510 1.00 0.00 C ATOM 304 CE LYS A 22 -1.954 18.273 5.442 1.00 0.00 C ATOM 305 NZ LYS A 22 -0.556 18.146 4.998 1.00 0.00 N ATOM 0 H LYS A 22 -0.764 13.136 5.947 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.872 14.204 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.855 14.184 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.721 14.873 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.772 16.398 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.928 15.720 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.715 16.485 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.677 17.048 5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.495 18.927 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.982 18.746 6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.274 19.008 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.060 18.015 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.466 17.325 4.366 1.00 0.00 H new ATOM 319 N LYS A 23 -2.353 11.518 8.671 1.00 0.00 N ATOM 320 CA LYS A 23 -3.146 10.393 9.137 1.00 0.00 C ATOM 321 C LYS A 23 -4.274 10.947 10.009 1.00 0.00 C ATOM 322 O LYS A 23 -4.029 11.833 10.828 1.00 0.00 O ATOM 323 CB LYS A 23 -2.220 9.398 9.852 1.00 0.00 C ATOM 324 CG LYS A 23 -2.935 8.147 10.369 1.00 0.00 C ATOM 325 CD LYS A 23 -3.355 8.330 11.829 1.00 0.00 C ATOM 326 CE LYS A 23 -4.301 7.199 12.244 1.00 0.00 C ATOM 327 NZ LYS A 23 -4.835 7.418 13.599 1.00 0.00 N ATOM 0 H LYS A 23 -1.405 11.552 9.046 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.614 9.838 8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.429 9.095 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.739 9.902 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.813 7.944 9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.277 7.283 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.475 8.334 12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.848 9.294 11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.124 7.131 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.771 6.247 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.524 6.672 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.056 7.391 14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.303 8.346 13.642 1.00 0.00 H new ATOM 341 N CYS A 24 -5.507 10.456 9.835 1.00 0.00 N ATOM 342 CA CYS A 24 -6.620 10.829 10.704 1.00 0.00 C ATOM 343 C CYS A 24 -6.324 10.448 12.162 1.00 0.00 C ATOM 344 O CYS A 24 -6.608 9.340 12.609 1.00 0.00 O ATOM 345 CB CYS A 24 -7.918 10.199 10.213 1.00 0.00 C ATOM 346 SG CYS A 24 -9.256 10.481 11.386 1.00 0.00 S ATOM 0 H CYS A 24 -5.755 9.798 9.097 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.742 11.912 10.666 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.186 10.618 9.243 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.775 9.128 10.069 1.00 0.00 H new ATOM 351 N LYS A 25 -5.701 11.380 12.881 1.00 0.00 N ATOM 352 CA LYS A 25 -5.108 11.224 14.203 1.00 0.00 C ATOM 353 C LYS A 25 -6.068 10.948 15.373 1.00 0.00 C ATOM 354 O LYS A 25 -6.025 11.642 16.387 1.00 0.00 O ATOM 355 CB LYS A 25 -4.163 12.413 14.464 1.00 0.00 C ATOM 356 CG LYS A 25 -4.683 13.812 14.084 1.00 0.00 C ATOM 357 CD LYS A 25 -5.982 14.171 14.816 1.00 0.00 C ATOM 358 CE LYS A 25 -6.444 15.601 14.514 1.00 0.00 C ATOM 359 NZ LYS A 25 -6.807 15.777 13.096 1.00 0.00 N ATOM 0 H LYS A 25 -5.591 12.330 12.528 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.549 10.289 14.173 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.912 12.421 15.525 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.236 12.236 13.919 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.921 14.556 14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.852 13.854 13.008 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.765 13.470 14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.834 14.059 15.890 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.302 15.845 15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.650 16.301 14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.209 16.726 12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.958 15.670 12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.510 15.060 12.826 1.00 0.00 H new ATOM 373 N TYR A 26 -6.902 9.909 15.281 1.00 0.00 N ATOM 374 CA TYR A 26 -7.665 9.432 16.425 1.00 0.00 C ATOM 375 C TYR A 26 -7.573 7.915 16.488 1.00 0.00 C ATOM 376 O TYR A 26 -7.550 7.247 15.454 1.00 0.00 O ATOM 377 CB TYR A 26 -9.104 9.968 16.465 1.00 0.00 C ATOM 378 CG TYR A 26 -10.088 9.385 15.467 1.00 0.00 C ATOM 379 CD1 TYR A 26 -10.601 8.088 15.663 1.00 0.00 C ATOM 380 CD2 TYR A 26 -10.675 10.219 14.496 1.00 0.00 C ATOM 381 CE1 TYR A 26 -11.614 7.594 14.826 1.00 0.00 C ATOM 382 CE2 TYR A 26 -11.734 9.744 13.704 1.00 0.00 C ATOM 383 CZ TYR A 26 -12.180 8.423 13.848 1.00 0.00 C ATOM 384 OH TYR A 26 -13.154 7.931 13.037 1.00 0.00 O ATOM 0 H TYR A 26 -7.063 9.384 14.421 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.220 9.837 17.334 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.499 9.801 17.467 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.067 11.047 16.313 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.214 7.471 16.460 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.310 11.226 14.360 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.957 6.576 14.936 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.205 10.397 12.984 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.410 8.614 12.382 1.00 0.00 H new ATOM 394 N ASP A 27 -7.481 7.377 17.705 1.00 0.00 N ATOM 395 CA ASP A 27 -7.370 5.939 17.909 1.00 0.00 C ATOM 396 C ASP A 27 -8.741 5.272 18.060 1.00 0.00 C ATOM 397 O ASP A 27 -9.256 5.165 19.172 1.00 0.00 O ATOM 398 CB ASP A 27 -6.462 5.603 19.098 1.00 0.00 C ATOM 399 CG ASP A 27 -6.306 4.088 19.264 1.00 0.00 C ATOM 400 OD1 ASP A 27 -6.195 3.393 18.227 1.00 0.00 O ATOM 401 OD2 ASP A 27 -6.300 3.644 20.432 1.00 0.00 O ATOM 0 H ASP A 27 -7.482 7.923 18.567 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.906 5.532 17.011 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.483 6.058 18.951 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.879 6.031 20.010 1.00 0.00 H new ATOM 406 N GLY A 28 -9.349 4.812 16.964 1.00 0.00 N ATOM 407 CA GLY A 28 -10.535 3.965 17.013 1.00 0.00 C ATOM 408 C GLY A 28 -11.819 4.755 17.177 1.00 0.00 C ATOM 409 O GLY A 28 -12.750 4.598 16.390 1.00 0.00 O ATOM 0 H GLY A 28 -9.029 5.019 16.018 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.592 3.375 16.098 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.439 3.262 17.840 1.00 0.00 H new ATOM 413 N VAL A 29 -11.872 5.587 18.211 1.00 0.00 N ATOM 414 CA VAL A 29 -12.985 6.467 18.494 1.00 0.00 C ATOM 415 C VAL A 29 -12.452 7.895 18.575 1.00 0.00 C ATOM 416 O VAL A 29 -11.441 8.143 19.231 1.00 0.00 O ATOM 417 CB VAL A 29 -13.744 5.993 19.745 1.00 0.00 C ATOM 418 CG1 VAL A 29 -12.914 6.087 21.029 1.00 0.00 C ATOM 419 CG2 VAL A 29 -15.054 6.773 19.913 1.00 0.00 C ATOM 0 H VAL A 29 -11.116 5.665 18.892 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.728 6.444 17.697 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.962 4.937 19.583 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.509 5.737 21.873 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.022 5.468 20.932 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.620 7.123 21.197 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -15.575 6.422 20.804 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.834 7.836 20.016 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.685 6.617 19.038 1.00 0.00 H new ATOM 429 N GLU A 30 -13.129 8.815 17.889 1.00 0.00 N ATOM 430 CA GLU A 30 -12.822 10.236 17.797 1.00 0.00 C ATOM 431 C GLU A 30 -12.405 10.870 19.127 1.00 0.00 C ATOM 432 O GLU A 30 -11.547 11.747 19.139 1.00 0.00 O ATOM 433 CB GLU A 30 -14.003 10.970 17.150 1.00 0.00 C ATOM 434 CG GLU A 30 -15.335 10.793 17.895 1.00 0.00 C ATOM 435 CD GLU A 30 -16.492 11.451 17.148 1.00 0.00 C ATOM 436 OE1 GLU A 30 -16.277 12.568 16.630 1.00 0.00 O ATOM 437 OE2 GLU A 30 -17.575 10.826 17.117 1.00 0.00 O ATOM 0 H GLU A 30 -13.959 8.569 17.349 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.941 10.339 17.163 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.769 12.033 17.093 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.121 10.614 16.126 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.542 9.730 18.023 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.254 11.224 18.893 1.00 0.00 H new ATOM 444 N GLU A 31 -12.994 10.430 20.243 1.00 0.00 N ATOM 445 CA GLU A 31 -12.616 10.897 21.571 1.00 0.00 C ATOM 446 C GLU A 31 -11.105 10.759 21.793 1.00 0.00 C ATOM 447 O GLU A 31 -10.462 11.677 22.298 1.00 0.00 O ATOM 448 CB GLU A 31 -13.395 10.129 22.651 1.00 0.00 C ATOM 449 CG GLU A 31 -14.920 10.209 22.482 1.00 0.00 C ATOM 450 CD GLU A 31 -15.428 11.648 22.471 1.00 0.00 C ATOM 451 OE1 GLU A 31 -15.371 12.277 23.549 1.00 0.00 O ATOM 452 OE2 GLU A 31 -15.857 12.091 21.384 1.00 0.00 O ATOM 0 H GLU A 31 -13.745 9.740 20.246 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.871 11.954 21.645 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.090 9.083 22.633 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.125 10.522 23.631 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.206 9.718 21.552 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.402 9.662 23.292 1.00 0.00 H new ATOM 459 N GLU A 32 -10.522 9.626 21.391 1.00 0.00 N ATOM 460 CA GLU A 32 -9.100 9.363 21.545 1.00 0.00 C ATOM 461 C GLU A 32 -8.305 10.050 20.431 1.00 0.00 C ATOM 462 O GLU A 32 -7.500 9.409 19.749 1.00 0.00 O ATOM 463 CB GLU A 32 -8.851 7.846 21.572 1.00 0.00 C ATOM 464 CG GLU A 32 -9.660 7.125 22.659 1.00 0.00 C ATOM 465 CD GLU A 32 -9.420 7.706 24.048 1.00 0.00 C ATOM 466 OE1 GLU A 32 -8.265 7.601 24.515 1.00 0.00 O ATOM 467 OE2 GLU A 32 -10.393 8.252 24.612 1.00 0.00 O ATOM 0 H GLU A 32 -11.033 8.863 20.947 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.755 9.778 22.492 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.104 7.424 20.599 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.789 7.660 21.734 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.722 7.190 22.420 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.398 6.067 22.661 1.00 0.00 H new ATOM 474 N ASP A 33 -8.489 11.366 20.279 1.00 0.00 N ATOM 475 CA ASP A 33 -7.735 12.205 19.351 1.00 0.00 C ATOM 476 C ASP A 33 -6.361 12.498 19.962 1.00 0.00 C ATOM 477 O ASP A 33 -6.009 13.649 20.207 1.00 0.00 O ATOM 478 CB ASP A 33 -8.537 13.481 19.056 1.00 0.00 C ATOM 479 CG ASP A 33 -8.032 14.196 17.807 1.00 0.00 C ATOM 480 OD1 ASP A 33 -8.426 13.750 16.707 1.00 0.00 O ATOM 481 OD2 ASP A 33 -7.292 15.192 17.962 1.00 0.00 O ATOM 0 H ASP A 33 -9.185 11.887 20.813 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.575 11.699 18.399 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.589 13.227 18.928 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.474 14.155 19.910 1.00 0.00 H new ATOM 486 N ASP A 34 -5.616 11.433 20.272 1.00 0.00 N ATOM 487 CA ASP A 34 -4.388 11.491 21.056 1.00 0.00 C ATOM 488 C ASP A 34 -3.147 11.303 20.187 1.00 0.00 C ATOM 489 O ASP A 34 -2.263 12.155 20.174 1.00 0.00 O ATOM 490 CB ASP A 34 -4.452 10.425 22.158 1.00 0.00 C ATOM 491 CG ASP A 34 -3.149 10.368 22.950 1.00 0.00 C ATOM 492 OD1 ASP A 34 -2.994 11.219 23.852 1.00 0.00 O ATOM 493 OD2 ASP A 34 -2.334 9.474 22.635 1.00 0.00 O ATOM 0 H ASP A 34 -5.859 10.488 19.976 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.306 12.481 21.505 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.280 10.644 22.832 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.653 9.450 21.713 1.00 0.00 H new ATOM 498 N GLU A 35 -3.050 10.151 19.518 1.00 0.00 N ATOM 499 CA GLU A 35 -1.828 9.763 18.834 1.00 0.00 C ATOM 500 C GLU A 35 -1.454 10.768 17.741 1.00 0.00 C ATOM 501 O GLU A 35 -2.283 11.125 16.907 1.00 0.00 O ATOM 502 CB GLU A 35 -1.935 8.331 18.290 1.00 0.00 C ATOM 503 CG GLU A 35 -3.133 8.097 17.358 1.00 0.00 C ATOM 504 CD GLU A 35 -3.045 6.723 16.707 1.00 0.00 C ATOM 505 OE1 GLU A 35 -3.282 5.735 17.434 1.00 0.00 O ATOM 506 OE2 GLU A 35 -2.739 6.685 15.495 1.00 0.00 O ATOM 0 H GLU A 35 -3.809 9.474 19.439 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.016 9.774 19.562 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.018 8.090 17.752 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.003 7.640 19.130 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.062 8.179 17.923 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.159 8.869 16.589 1.00 0.00 H new ATOM 513 N GLU A 36 -0.193 11.202 17.724 1.00 0.00 N ATOM 514 CA GLU A 36 0.338 11.999 16.632 1.00 0.00 C ATOM 515 C GLU A 36 0.214 11.194 15.331 1.00 0.00 C ATOM 516 O GLU A 36 0.335 9.970 15.371 1.00 0.00 O ATOM 517 CB GLU A 36 1.811 12.350 16.897 1.00 0.00 C ATOM 518 CG GLU A 36 2.057 12.978 18.280 1.00 0.00 C ATOM 519 CD GLU A 36 2.569 11.963 19.304 1.00 0.00 C ATOM 520 OE1 GLU A 36 1.826 10.994 19.573 1.00 0.00 O ATOM 521 OE2 GLU A 36 3.705 12.166 19.786 1.00 0.00 O ATOM 0 H GLU A 36 0.481 11.009 18.465 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.225 12.928 16.548 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.413 11.446 16.806 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.155 13.041 16.127 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.780 13.788 18.184 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.130 13.420 18.644 1.00 0.00 H new ATOM 528 N PRO A 37 0.003 11.837 14.175 1.00 0.00 N ATOM 529 CA PRO A 37 0.074 11.149 12.899 1.00 0.00 C ATOM 530 C PRO A 37 1.533 10.796 12.583 1.00 0.00 C ATOM 531 O PRO A 37 2.443 11.206 13.305 1.00 0.00 O ATOM 532 CB PRO A 37 -0.521 12.134 11.898 1.00 0.00 C ATOM 533 CG PRO A 37 -0.125 13.493 12.476 1.00 0.00 C ATOM 534 CD PRO A 37 -0.209 13.263 13.987 1.00 0.00 C ATOM 0 HA PRO A 37 -0.470 10.204 12.881 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.115 11.987 10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.603 12.028 11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.879 13.786 12.168 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.802 14.283 12.150 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.546 13.845 14.515 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.179 13.570 14.377 1.00 0.00 H new ATOM 542 N ASN A 38 1.757 10.034 11.506 1.00 0.00 N ATOM 543 CA ASN A 38 3.054 9.531 11.057 1.00 0.00 C ATOM 544 C ASN A 38 3.744 8.639 12.093 1.00 0.00 C ATOM 545 O ASN A 38 3.825 7.434 11.882 1.00 0.00 O ATOM 546 CB ASN A 38 3.950 10.672 10.566 1.00 0.00 C ATOM 547 CG ASN A 38 5.266 10.128 10.026 1.00 0.00 C ATOM 548 OD1 ASN A 38 6.301 10.256 10.669 1.00 0.00 O ATOM 549 ND2 ASN A 38 5.243 9.510 8.850 1.00 0.00 N ATOM 0 H ASN A 38 0.996 9.738 10.894 1.00 0.00 H new ATOM 0 HA ASN A 38 2.863 8.879 10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.436 11.235 9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.146 11.365 11.384 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.103 9.126 8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.365 9.419 8.339 1.00 0.00 H new ATOM 556 N VAL A 39 4.211 9.206 13.206 1.00 0.00 N ATOM 557 CA VAL A 39 4.961 8.556 14.281 1.00 0.00 C ATOM 558 C VAL A 39 4.544 7.098 14.571 1.00 0.00 C ATOM 559 O VAL A 39 5.404 6.221 14.528 1.00 0.00 O ATOM 560 CB VAL A 39 4.955 9.451 15.539 1.00 0.00 C ATOM 561 CG1 VAL A 39 5.680 8.781 16.715 1.00 0.00 C ATOM 562 CG2 VAL A 39 5.638 10.798 15.258 1.00 0.00 C ATOM 0 H VAL A 39 4.065 10.198 13.393 1.00 0.00 H new ATOM 0 HA VAL A 39 5.988 8.452 13.931 1.00 0.00 H new ATOM 0 HB VAL A 39 3.909 9.609 15.802 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.655 9.441 17.582 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.185 7.841 16.960 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.716 8.584 16.439 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.621 11.410 16.160 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.671 10.626 14.956 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.108 11.315 14.458 1.00 0.00 H new ATOM 572 N PRO A 40 3.274 6.788 14.887 1.00 0.00 N ATOM 573 CA PRO A 40 2.865 5.419 15.187 1.00 0.00 C ATOM 574 C PRO A 40 2.913 4.504 13.957 1.00 0.00 C ATOM 575 O PRO A 40 3.058 3.292 14.093 1.00 0.00 O ATOM 576 CB PRO A 40 1.431 5.536 15.719 1.00 0.00 C ATOM 577 CG PRO A 40 0.907 6.808 15.051 1.00 0.00 C ATOM 578 CD PRO A 40 2.149 7.695 15.043 1.00 0.00 C ATOM 0 HA PRO A 40 3.545 4.964 15.907 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.831 4.666 15.452 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.411 5.616 16.806 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.535 6.617 14.044 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.088 7.257 15.613 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.111 8.416 14.227 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.230 8.265 15.969 1.00 0.00 H new ATOM 586 N CYS A 41 2.725 5.069 12.763 1.00 0.00 N ATOM 587 CA CYS A 41 2.529 4.335 11.522 1.00 0.00 C ATOM 588 C CYS A 41 3.848 4.058 10.795 1.00 0.00 C ATOM 589 O CYS A 41 4.090 2.923 10.387 1.00 0.00 O ATOM 590 CB CYS A 41 1.565 5.136 10.648 1.00 0.00 C ATOM 591 SG CYS A 41 1.565 4.675 8.908 1.00 0.00 S ATOM 0 H CYS A 41 2.705 6.081 12.634 1.00 0.00 H new ATOM 0 HA CYS A 41 2.107 3.355 11.746 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.555 5.017 11.041 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.816 6.194 10.729 1.00 0.00 H new ATOM 596 N LEU A 42 4.666 5.100 10.601 1.00 0.00 N ATOM 597 CA LEU A 42 5.962 5.097 9.922 1.00 0.00 C ATOM 598 C LEU A 42 6.074 4.000 8.862 1.00 0.00 C ATOM 599 O LEU A 42 6.712 2.975 9.090 1.00 0.00 O ATOM 600 CB LEU A 42 7.101 4.989 10.949 1.00 0.00 C ATOM 601 CG LEU A 42 7.275 6.251 11.809 1.00 0.00 C ATOM 602 CD1 LEU A 42 8.179 5.929 13.005 1.00 0.00 C ATOM 603 CD2 LEU A 42 7.899 7.407 11.018 1.00 0.00 C ATOM 0 H LEU A 42 4.420 6.030 10.939 1.00 0.00 H new ATOM 0 HA LEU A 42 6.049 6.045 9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.911 4.138 11.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.034 4.785 10.424 1.00 0.00 H new ATOM 0 HG LEU A 42 6.284 6.562 12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.304 6.822 13.617 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.723 5.140 13.603 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.153 5.596 12.646 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.003 8.277 11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.881 7.109 10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.257 7.658 10.173 1.00 0.00 H new ATOM 615 N VAL A 43 5.455 4.204 7.697 1.00 0.00 N ATOM 616 CA VAL A 43 5.606 3.273 6.582 1.00 0.00 C ATOM 617 C VAL A 43 7.071 3.223 6.118 1.00 0.00 C ATOM 618 O VAL A 43 7.508 4.070 5.345 1.00 0.00 O ATOM 619 CB VAL A 43 4.634 3.597 5.428 1.00 0.00 C ATOM 620 CG1 VAL A 43 3.231 3.070 5.748 1.00 0.00 C ATOM 621 CG2 VAL A 43 4.535 5.091 5.084 1.00 0.00 C ATOM 0 H VAL A 43 4.849 5.001 7.504 1.00 0.00 H new ATOM 0 HA VAL A 43 5.337 2.276 6.932 1.00 0.00 H new ATOM 0 HB VAL A 43 5.052 3.098 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.557 3.306 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.271 1.989 5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.866 3.539 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.831 5.230 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.187 5.643 5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.516 5.462 4.787 1.00 0.00 H new ATOM 631 N ARG A 44 7.825 2.216 6.578 1.00 0.00 N ATOM 632 CA ARG A 44 9.231 2.023 6.236 1.00 0.00 C ATOM 633 C ARG A 44 9.452 2.072 4.722 1.00 0.00 C ATOM 634 O ARG A 44 10.432 2.648 4.254 1.00 0.00 O ATOM 635 CB ARG A 44 9.745 0.682 6.782 1.00 0.00 C ATOM 636 CG ARG A 44 9.908 0.637 8.312 1.00 0.00 C ATOM 637 CD ARG A 44 8.889 -0.281 8.998 1.00 0.00 C ATOM 638 NE ARG A 44 7.585 0.374 9.142 1.00 0.00 N ATOM 639 CZ ARG A 44 6.416 -0.232 9.380 1.00 0.00 C ATOM 640 NH1 ARG A 44 6.321 -1.566 9.413 1.00 0.00 N ATOM 641 NH2 ARG A 44 5.339 0.524 9.600 1.00 0.00 N ATOM 0 H ARG A 44 7.463 1.502 7.210 1.00 0.00 H new ATOM 0 HA ARG A 44 9.789 2.839 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.057 -0.107 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.707 0.461 6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.915 0.298 8.554 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.807 1.646 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.775 -1.197 8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.262 -0.570 9.980 1.00 0.00 H new ATOM 0 HE ARG A 44 7.567 1.390 9.052 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.149 -2.140 9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.421 -2.009 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.418 1.541 9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.437 0.085 9.784 1.00 0.00 H new ATOM 655 N VAL A 45 8.543 1.465 3.954 1.00 0.00 N ATOM 656 CA VAL A 45 8.583 1.440 2.496 1.00 0.00 C ATOM 657 C VAL A 45 8.215 2.810 1.905 1.00 0.00 C ATOM 658 O VAL A 45 7.329 2.916 1.058 1.00 0.00 O ATOM 659 CB VAL A 45 7.686 0.301 1.963 1.00 0.00 C ATOM 660 CG1 VAL A 45 8.296 -1.063 2.312 1.00 0.00 C ATOM 661 CG2 VAL A 45 6.243 0.353 2.493 1.00 0.00 C ATOM 0 H VAL A 45 7.742 0.967 4.341 1.00 0.00 H new ATOM 0 HA VAL A 45 9.603 1.234 2.171 1.00 0.00 H new ATOM 0 HB VAL A 45 7.639 0.440 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.654 -1.857 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.284 -1.146 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.384 -1.156 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.672 -0.477 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.252 0.278 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.781 1.295 2.198 1.00 0.00 H new ATOM 671 N CYS A 46 8.913 3.873 2.312 1.00 0.00 N ATOM 672 CA CYS A 46 8.593 5.239 1.911 1.00 0.00 C ATOM 673 C CYS A 46 9.163 5.533 0.515 1.00 0.00 C ATOM 674 O CYS A 46 9.827 6.542 0.297 1.00 0.00 O ATOM 675 CB CYS A 46 9.042 6.241 2.993 1.00 0.00 C ATOM 676 SG CYS A 46 7.780 7.455 3.473 1.00 0.00 S ATOM 0 H CYS A 46 9.720 3.806 2.932 1.00 0.00 H new ATOM 0 HA CYS A 46 7.512 5.355 1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.348 5.685 3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.921 6.775 2.632 1.00 0.00 H new ATOM 681 N HIS A 47 8.906 4.650 -0.455 1.00 0.00 N ATOM 682 CA HIS A 47 9.313 4.864 -1.839 1.00 0.00 C ATOM 683 C HIS A 47 8.400 5.919 -2.452 1.00 0.00 C ATOM 684 O HIS A 47 7.220 5.964 -2.122 1.00 0.00 O ATOM 685 CB HIS A 47 9.234 3.555 -2.636 1.00 0.00 C ATOM 686 CG HIS A 47 7.837 2.995 -2.768 1.00 0.00 C ATOM 687 ND1 HIS A 47 6.827 3.492 -3.568 1.00 0.00 N ATOM 688 CD2 HIS A 47 7.330 1.932 -2.070 1.00 0.00 C ATOM 689 CE1 HIS A 47 5.738 2.736 -3.342 1.00 0.00 C ATOM 690 NE2 HIS A 47 5.994 1.772 -2.444 1.00 0.00 N ATOM 0 H HIS A 47 8.412 3.771 -0.300 1.00 0.00 H new ATOM 0 HA HIS A 47 10.347 5.206 -1.869 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.641 3.724 -3.633 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.868 2.810 -2.155 1.00 0.00 H new ATOM 0 HD1 HIS A 47 6.894 4.283 -4.209 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.868 1.325 -1.357 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.782 2.885 -3.821 1.00 0.00 H new ATOM 698 N GLN A 48 8.911 6.763 -3.345 1.00 0.00 N ATOM 699 CA GLN A 48 8.082 7.762 -4.006 1.00 0.00 C ATOM 700 C GLN A 48 6.805 7.146 -4.588 1.00 0.00 C ATOM 701 O GLN A 48 6.846 6.023 -5.101 1.00 0.00 O ATOM 702 CB GLN A 48 8.894 8.505 -5.070 1.00 0.00 C ATOM 703 CG GLN A 48 9.318 7.628 -6.257 1.00 0.00 C ATOM 704 CD GLN A 48 10.304 8.329 -7.190 1.00 0.00 C ATOM 705 OE1 GLN A 48 11.182 7.687 -7.754 1.00 0.00 O ATOM 706 NE2 GLN A 48 10.189 9.643 -7.368 1.00 0.00 N ATOM 0 H GLN A 48 9.892 6.774 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 48 7.761 8.487 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.305 9.343 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.786 8.925 -4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.770 6.710 -5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.433 7.338 -6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.451 10.160 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.839 10.133 -7.983 1.00 0.00 H new ATOM 715 N ASP A 49 5.676 7.856 -4.475 1.00 0.00 N ATOM 716 CA ASP A 49 4.374 7.378 -4.926 1.00 0.00 C ATOM 717 C ASP A 49 3.358 8.529 -4.834 1.00 0.00 C ATOM 718 O ASP A 49 3.751 9.696 -4.860 1.00 0.00 O ATOM 719 CB ASP A 49 3.950 6.153 -4.094 1.00 0.00 C ATOM 720 CG ASP A 49 3.012 5.236 -4.867 1.00 0.00 C ATOM 721 OD1 ASP A 49 3.525 4.372 -5.609 1.00 0.00 O ATOM 722 OD2 ASP A 49 1.787 5.434 -4.724 1.00 0.00 O ATOM 0 H ASP A 49 5.646 8.788 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 49 4.423 7.057 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.836 5.595 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.459 6.488 -3.180 1.00 0.00 H new ATOM 727 N CYS A 50 2.066 8.214 -4.714 1.00 0.00 N ATOM 728 CA CYS A 50 0.996 9.154 -4.405 1.00 0.00 C ATOM 729 C CYS A 50 0.713 9.092 -2.910 1.00 0.00 C ATOM 730 O CYS A 50 0.932 8.060 -2.280 1.00 0.00 O ATOM 731 CB CYS A 50 -0.275 8.795 -5.184 1.00 0.00 C ATOM 732 SG CYS A 50 -0.938 7.142 -4.854 1.00 0.00 S ATOM 0 H CYS A 50 1.728 7.259 -4.835 1.00 0.00 H new ATOM 0 HA CYS A 50 1.303 10.160 -4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.045 9.531 -4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.065 8.879 -6.250 1.00 0.00 H new ATOM 737 N VAL A 51 0.209 10.189 -2.351 1.00 0.00 N ATOM 738 CA VAL A 51 -0.242 10.299 -0.976 1.00 0.00 C ATOM 739 C VAL A 51 -1.508 11.160 -0.995 1.00 0.00 C ATOM 740 O VAL A 51 -1.740 11.907 -1.945 1.00 0.00 O ATOM 741 CB VAL A 51 0.888 10.912 -0.121 1.00 0.00 C ATOM 742 CG1 VAL A 51 0.436 11.300 1.292 1.00 0.00 C ATOM 743 CG2 VAL A 51 2.053 9.924 0.014 1.00 0.00 C ATOM 0 H VAL A 51 0.101 11.060 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.478 9.332 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 51 1.195 11.818 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.278 11.724 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.364 12.037 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.073 10.415 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.841 10.371 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.702 9.010 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.445 9.687 -0.975 1.00 0.00 H new ATOM 753 N CYS A 52 -2.336 11.041 0.043 1.00 0.00 N ATOM 754 CA CYS A 52 -3.468 11.922 0.300 1.00 0.00 C ATOM 755 C CYS A 52 -3.044 13.390 0.174 1.00 0.00 C ATOM 756 O CYS A 52 -2.057 13.813 0.770 1.00 0.00 O ATOM 757 CB CYS A 52 -4.072 11.541 1.658 1.00 0.00 C ATOM 758 SG CYS A 52 -4.801 12.819 2.701 1.00 0.00 S ATOM 0 H CYS A 52 -2.232 10.309 0.745 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.253 11.797 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.843 10.792 1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.288 11.055 2.238 1.00 0.00 H new ATOM 763 N GLU A 53 -3.765 14.135 -0.673 1.00 0.00 N ATOM 764 CA GLU A 53 -3.486 15.518 -1.012 1.00 0.00 C ATOM 765 C GLU A 53 -3.191 16.372 0.223 1.00 0.00 C ATOM 766 O GLU A 53 -3.920 16.334 1.217 1.00 0.00 O ATOM 767 CB GLU A 53 -4.654 16.076 -1.835 1.00 0.00 C ATOM 768 CG GLU A 53 -4.420 17.508 -2.336 1.00 0.00 C ATOM 769 CD GLU A 53 -5.553 18.003 -3.235 1.00 0.00 C ATOM 770 OE1 GLU A 53 -6.477 17.204 -3.504 1.00 0.00 O ATOM 771 OE2 GLU A 53 -5.476 19.185 -3.632 1.00 0.00 O ATOM 0 H GLU A 53 -4.587 13.769 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.578 15.555 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.829 15.424 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.559 16.055 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.319 18.177 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.480 17.549 -2.886 1.00 0.00 H new ATOM 778 N GLU A 54 -2.126 17.175 0.112 1.00 0.00 N ATOM 779 CA GLU A 54 -1.688 18.138 1.108 1.00 0.00 C ATOM 780 C GLU A 54 -2.791 19.187 1.288 1.00 0.00 C ATOM 781 O GLU A 54 -2.750 20.262 0.697 1.00 0.00 O ATOM 782 CB GLU A 54 -0.340 18.728 0.650 1.00 0.00 C ATOM 783 CG GLU A 54 0.472 19.383 1.775 1.00 0.00 C ATOM 784 CD GLU A 54 -0.153 20.670 2.307 1.00 0.00 C ATOM 785 OE1 GLU A 54 0.088 21.722 1.677 1.00 0.00 O ATOM 786 OE2 GLU A 54 -0.849 20.574 3.341 1.00 0.00 O ATOM 0 H GLU A 54 -1.526 17.165 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.523 17.682 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.257 17.935 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.525 19.468 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.578 18.674 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.476 19.600 1.409 1.00 0.00 H new ATOM 793 N GLY A 55 -3.803 18.828 2.072 1.00 0.00 N ATOM 794 CA GLY A 55 -5.034 19.579 2.202 1.00 0.00 C ATOM 795 C GLY A 55 -6.006 18.865 3.136 1.00 0.00 C ATOM 796 O GLY A 55 -6.669 19.530 3.931 1.00 0.00 O ATOM 0 H GLY A 55 -3.783 17.985 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.819 20.576 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.492 19.708 1.221 1.00 0.00 H new ATOM 800 N PHE A 56 -6.097 17.528 3.061 1.00 0.00 N ATOM 801 CA PHE A 56 -7.045 16.769 3.873 1.00 0.00 C ATOM 802 C PHE A 56 -6.332 15.595 4.546 1.00 0.00 C ATOM 803 O PHE A 56 -5.119 15.459 4.414 1.00 0.00 O ATOM 804 CB PHE A 56 -8.250 16.335 3.024 1.00 0.00 C ATOM 805 CG PHE A 56 -8.636 17.283 1.905 1.00 0.00 C ATOM 806 CD1 PHE A 56 -9.504 18.360 2.163 1.00 0.00 C ATOM 807 CD2 PHE A 56 -8.072 17.131 0.624 1.00 0.00 C ATOM 808 CE1 PHE A 56 -9.830 19.262 1.135 1.00 0.00 C ATOM 809 CE2 PHE A 56 -8.409 18.025 -0.406 1.00 0.00 C ATOM 810 CZ PHE A 56 -9.289 19.091 -0.151 1.00 0.00 C ATOM 0 H PHE A 56 -5.522 16.955 2.444 1.00 0.00 H new ATOM 0 HA PHE A 56 -7.439 17.401 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -8.034 15.358 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -9.109 16.209 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -9.920 18.494 3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.379 16.325 0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.497 20.088 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.992 17.893 -1.394 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.549 19.778 -0.943 1.00 0.00 H new ATOM 820 N TYR A 57 -7.073 14.765 5.284 1.00 0.00 N ATOM 821 CA TYR A 57 -6.538 13.666 6.073 1.00 0.00 C ATOM 822 C TYR A 57 -6.859 12.329 5.431 1.00 0.00 C ATOM 823 O TYR A 57 -7.970 12.125 4.945 1.00 0.00 O ATOM 824 CB TYR A 57 -7.122 13.700 7.490 1.00 0.00 C ATOM 825 CG TYR A 57 -6.620 14.843 8.348 1.00 0.00 C ATOM 826 CD1 TYR A 57 -7.196 16.122 8.234 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.579 14.623 9.269 1.00 0.00 C ATOM 828 CE1 TYR A 57 -6.733 17.176 9.041 1.00 0.00 C ATOM 829 CE2 TYR A 57 -5.115 15.678 10.072 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.692 16.953 9.959 1.00 0.00 C ATOM 831 OH TYR A 57 -5.271 17.955 10.780 1.00 0.00 O ATOM 0 H TYR A 57 -8.088 14.846 5.347 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.455 13.783 6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.208 13.764 7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.889 12.759 7.988 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.994 16.294 7.527 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.136 13.642 9.359 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.177 18.157 8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.314 15.508 10.777 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.545 17.627 11.351 1.00 0.00 H new ATOM 841 N ARG A 58 -5.899 11.400 5.451 1.00 0.00 N ATOM 842 CA ARG A 58 -6.215 10.041 5.073 1.00 0.00 C ATOM 843 C ARG A 58 -6.994 9.433 6.233 1.00 0.00 C ATOM 844 O ARG A 58 -6.469 9.246 7.333 1.00 0.00 O ATOM 845 CB ARG A 58 -5.021 9.198 4.593 1.00 0.00 C ATOM 846 CG ARG A 58 -3.719 9.180 5.404 1.00 0.00 C ATOM 847 CD ARG A 58 -3.440 7.800 6.019 1.00 0.00 C ATOM 848 NE ARG A 58 -4.450 7.434 7.015 1.00 0.00 N ATOM 849 CZ ARG A 58 -4.548 6.253 7.636 1.00 0.00 C ATOM 850 NH1 ARG A 58 -3.658 5.286 7.391 1.00 0.00 N ATOM 851 NH2 ARG A 58 -5.547 6.051 8.502 1.00 0.00 N ATOM 0 H ARG A 58 -4.929 11.566 5.718 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.828 10.050 4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.365 8.167 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.771 9.533 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.887 9.464 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.776 9.925 6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.418 7.048 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.454 7.802 6.485 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.141 8.144 7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.900 5.447 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.737 4.387 7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.223 6.793 8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.633 5.155 8.982 1.00 0.00 H new ATOM 865 N ASN A 59 -8.278 9.188 5.988 1.00 0.00 N ATOM 866 CA ASN A 59 -9.123 8.416 6.885 1.00 0.00 C ATOM 867 C ASN A 59 -8.482 7.061 7.217 1.00 0.00 C ATOM 868 O ASN A 59 -8.173 6.788 8.373 1.00 0.00 O ATOM 869 CB ASN A 59 -10.538 8.255 6.304 1.00 0.00 C ATOM 870 CG ASN A 59 -10.622 7.625 4.908 1.00 0.00 C ATOM 871 OD1 ASN A 59 -9.623 7.438 4.217 1.00 0.00 O ATOM 872 ND2 ASN A 59 -11.821 7.241 4.490 1.00 0.00 N ATOM 0 H ASN A 59 -8.762 9.523 5.155 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.218 8.965 7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.125 7.646 6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.008 9.238 6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.923 6.784 3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.641 7.403 5.075 1.00 0.00 H new ATOM 879 N LYS A 60 -8.279 6.221 6.201 1.00 0.00 N ATOM 880 CA LYS A 60 -7.884 4.827 6.301 1.00 0.00 C ATOM 881 C LYS A 60 -7.076 4.460 5.052 1.00 0.00 C ATOM 882 O LYS A 60 -5.863 4.663 5.011 1.00 0.00 O ATOM 883 CB LYS A 60 -9.123 3.934 6.528 1.00 0.00 C ATOM 884 CG LYS A 60 -10.417 4.421 5.843 1.00 0.00 C ATOM 885 CD LYS A 60 -11.483 3.317 5.761 1.00 0.00 C ATOM 886 CE LYS A 60 -11.962 2.808 7.129 1.00 0.00 C ATOM 887 NZ LYS A 60 -12.638 3.857 7.913 1.00 0.00 N ATOM 0 H LYS A 60 -8.394 6.519 5.232 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.242 4.660 7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.897 2.929 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.305 3.858 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.819 5.271 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.183 4.773 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.341 3.695 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.080 2.478 5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.644 1.970 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.109 2.430 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.017 3.445 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.957 4.607 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.417 4.260 7.355 1.00 0.00 H new ATOM 901 N ASP A 61 -7.740 3.953 4.009 1.00 0.00 N ATOM 902 CA ASP A 61 -7.101 3.463 2.790 1.00 0.00 C ATOM 903 C ASP A 61 -6.719 4.620 1.858 1.00 0.00 C ATOM 904 O ASP A 61 -7.145 4.671 0.709 1.00 0.00 O ATOM 905 CB ASP A 61 -8.037 2.453 2.108 1.00 0.00 C ATOM 906 CG ASP A 61 -7.412 1.825 0.865 1.00 0.00 C ATOM 907 OD1 ASP A 61 -6.191 1.556 0.910 1.00 0.00 O ATOM 908 OD2 ASP A 61 -8.170 1.606 -0.105 1.00 0.00 O ATOM 0 H ASP A 61 -8.757 3.871 3.991 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.169 2.958 3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.297 1.667 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.966 2.952 1.831 1.00 0.00 H new ATOM 913 N ASP A 62 -5.918 5.556 2.372 1.00 0.00 N ATOM 914 CA ASP A 62 -5.490 6.783 1.709 1.00 0.00 C ATOM 915 C ASP A 62 -6.599 7.476 0.905 1.00 0.00 C ATOM 916 O ASP A 62 -6.375 7.920 -0.222 1.00 0.00 O ATOM 917 CB ASP A 62 -4.205 6.552 0.901 1.00 0.00 C ATOM 918 CG ASP A 62 -3.439 7.859 0.703 1.00 0.00 C ATOM 919 OD1 ASP A 62 -2.901 8.366 1.712 1.00 0.00 O ATOM 920 OD2 ASP A 62 -3.407 8.345 -0.444 1.00 0.00 O ATOM 0 H ASP A 62 -5.532 5.471 3.312 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.253 7.498 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.572 5.830 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.454 6.122 -0.069 1.00 0.00 H new ATOM 925 N LYS A 63 -7.789 7.605 1.506 1.00 0.00 N ATOM 926 CA LYS A 63 -8.857 8.427 0.959 1.00 0.00 C ATOM 927 C LYS A 63 -8.732 9.776 1.663 1.00 0.00 C ATOM 928 O LYS A 63 -9.111 9.916 2.825 1.00 0.00 O ATOM 929 CB LYS A 63 -10.252 7.796 1.145 1.00 0.00 C ATOM 930 CG LYS A 63 -10.294 6.263 1.038 1.00 0.00 C ATOM 931 CD LYS A 63 -9.824 5.729 -0.324 1.00 0.00 C ATOM 932 CE LYS A 63 -10.765 6.127 -1.468 1.00 0.00 C ATOM 933 NZ LYS A 63 -10.390 5.450 -2.722 1.00 0.00 N ATOM 0 H LYS A 63 -8.030 7.141 2.382 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.757 8.529 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.638 8.087 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.926 8.215 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.669 5.835 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.313 5.922 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.823 6.107 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.751 4.642 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.791 5.870 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.733 7.207 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.999 5.788 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.397 5.661 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.509 4.423 -2.611 1.00 0.00 H new ATOM 947 N CYS A 64 -8.131 10.756 0.988 1.00 0.00 N ATOM 948 CA CYS A 64 -8.040 12.104 1.530 1.00 0.00 C ATOM 949 C CYS A 64 -9.435 12.692 1.704 1.00 0.00 C ATOM 950 O CYS A 64 -10.139 12.891 0.715 1.00 0.00 O ATOM 951 CB CYS A 64 -7.167 12.995 0.647 1.00 0.00 C ATOM 952 SG CYS A 64 -5.957 14.029 1.478 1.00 0.00 S ATOM 0 H CYS A 64 -7.703 10.639 0.070 1.00 0.00 H new ATOM 0 HA CYS A 64 -7.564 12.054 2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.638 12.357 -0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.823 13.642 0.065 1.00 0.00 H new ATOM 957 N VAL A 65 -9.831 12.951 2.949 1.00 0.00 N ATOM 958 CA VAL A 65 -11.089 13.579 3.316 1.00 0.00 C ATOM 959 C VAL A 65 -10.804 14.456 4.533 1.00 0.00 C ATOM 960 O VAL A 65 -9.782 14.280 5.191 1.00 0.00 O ATOM 961 CB VAL A 65 -12.159 12.518 3.625 1.00 0.00 C ATOM 962 CG1 VAL A 65 -12.520 11.686 2.389 1.00 0.00 C ATOM 963 CG2 VAL A 65 -11.735 11.573 4.761 1.00 0.00 C ATOM 0 H VAL A 65 -9.257 12.718 3.759 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.481 14.181 2.496 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.038 13.077 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.279 10.950 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.908 12.342 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.630 11.174 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.524 10.843 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.818 11.055 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.562 12.150 5.669 1.00 0.00 H new ATOM 973 N SER A 66 -11.652 15.437 4.841 1.00 0.00 N ATOM 974 CA SER A 66 -11.416 16.234 6.039 1.00 0.00 C ATOM 975 C SER A 66 -11.483 15.331 7.276 1.00 0.00 C ATOM 976 O SER A 66 -12.213 14.338 7.288 1.00 0.00 O ATOM 977 CB SER A 66 -12.442 17.368 6.142 1.00 0.00 C ATOM 978 OG SER A 66 -12.273 18.060 7.367 1.00 0.00 O ATOM 0 H SER A 66 -12.478 15.691 4.299 1.00 0.00 H new ATOM 0 HA SER A 66 -10.424 16.683 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.322 18.056 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.452 16.963 6.079 1.00 0.00 H new ATOM 0 HG SER A 66 -12.065 19.000 7.186 1.00 0.00 H new ATOM 984 N ALA A 67 -10.777 15.710 8.347 1.00 0.00 N ATOM 985 CA ALA A 67 -10.942 15.058 9.639 1.00 0.00 C ATOM 986 C ALA A 67 -12.430 15.062 10.012 1.00 0.00 C ATOM 987 O ALA A 67 -12.948 14.071 10.515 1.00 0.00 O ATOM 988 CB ALA A 67 -10.091 15.756 10.704 1.00 0.00 C ATOM 0 H ALA A 67 -10.089 16.463 8.339 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.599 14.025 9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.226 15.256 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.040 15.712 10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.400 16.798 10.791 1.00 0.00 H new ATOM 994 N GLU A 68 -13.138 16.143 9.667 1.00 0.00 N ATOM 995 CA GLU A 68 -14.583 16.244 9.823 1.00 0.00 C ATOM 996 C GLU A 68 -15.292 15.007 9.258 1.00 0.00 C ATOM 997 O GLU A 68 -16.199 14.471 9.890 1.00 0.00 O ATOM 998 CB GLU A 68 -15.083 17.510 9.116 1.00 0.00 C ATOM 999 CG GLU A 68 -14.472 18.792 9.702 1.00 0.00 C ATOM 1000 CD GLU A 68 -14.767 19.990 8.807 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -14.120 20.054 7.737 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -15.630 20.803 9.196 1.00 0.00 O ATOM 0 H GLU A 68 -12.713 16.980 9.267 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.814 16.301 10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.842 17.449 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.169 17.561 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.875 18.969 10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.394 18.670 9.811 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.876 14.546 8.072 1.00 0.00 N ATOM 1010 CA ASP A 69 -15.415 13.331 7.481 1.00 0.00 C ATOM 1011 C ASP A 69 -14.969 12.129 8.305 1.00 0.00 C ATOM 1012 O ASP A 69 -15.783 11.280 8.653 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.941 13.168 6.034 1.00 0.00 C ATOM 1014 CG ASP A 69 -15.612 11.962 5.381 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -15.071 10.848 5.549 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -16.656 12.180 4.729 1.00 0.00 O ATOM 0 H ASP A 69 -14.163 15.005 7.505 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.503 13.398 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.171 14.070 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.858 13.045 6.012 1.00 0.00 H new ATOM 1021 N CYS A 70 -13.672 12.047 8.608 1.00 0.00 N ATOM 1022 CA CYS A 70 -13.114 10.921 9.350 1.00 0.00 C ATOM 1023 C CYS A 70 -13.869 10.653 10.662 1.00 0.00 C ATOM 1024 O CYS A 70 -14.164 9.506 10.999 1.00 0.00 O ATOM 1025 CB CYS A 70 -11.635 11.141 9.642 1.00 0.00 C ATOM 1026 SG CYS A 70 -10.924 9.697 10.446 1.00 0.00 S ATOM 0 H CYS A 70 -12.986 12.755 8.347 1.00 0.00 H new ATOM 0 HA CYS A 70 -13.229 10.043 8.715 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.102 11.345 8.713 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.511 12.016 10.280 1.00 0.00 H new ATOM 1031 N GLU A 71 -14.216 11.711 11.401 1.00 0.00 N ATOM 1032 CA GLU A 71 -14.998 11.614 12.631 1.00 0.00 C ATOM 1033 C GLU A 71 -16.379 10.970 12.416 1.00 0.00 C ATOM 1034 O GLU A 71 -16.965 10.466 13.369 1.00 0.00 O ATOM 1035 CB GLU A 71 -15.134 12.998 13.290 1.00 0.00 C ATOM 1036 CG GLU A 71 -13.929 13.386 14.167 1.00 0.00 C ATOM 1037 CD GLU A 71 -12.704 13.856 13.389 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -11.892 12.983 13.014 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -12.588 15.088 13.207 1.00 0.00 O ATOM 0 H GLU A 71 -13.958 12.667 11.157 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.452 10.951 13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.263 13.750 12.512 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.037 13.013 13.901 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.234 14.177 14.852 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.649 12.527 14.777 1.00 0.00 H new ATOM 1046 N LEU A 72 -16.901 10.965 11.186 1.00 0.00 N ATOM 1047 CA LEU A 72 -18.163 10.315 10.834 1.00 0.00 C ATOM 1048 C LEU A 72 -17.859 8.914 10.307 1.00 0.00 C ATOM 1049 O LEU A 72 -18.507 7.936 10.682 1.00 0.00 O ATOM 1050 CB LEU A 72 -18.926 11.145 9.790 1.00 0.00 C ATOM 1051 CG LEU A 72 -19.221 12.584 10.245 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -19.871 13.355 9.091 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -20.143 12.623 11.470 1.00 0.00 C ATOM 0 H LEU A 72 -16.449 11.421 10.394 1.00 0.00 H new ATOM 0 HA LEU A 72 -18.799 10.239 11.716 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.346 11.176 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.867 10.646 9.558 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.275 13.046 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.082 14.376 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.193 13.373 8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -20.801 12.865 8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -20.324 13.659 11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.091 12.142 11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -19.670 12.095 12.298 1.00 0.00 H new ATOM 1065 N ASP A 73 -16.800 8.808 9.498 1.00 0.00 N ATOM 1066 CA ASP A 73 -16.209 7.553 9.053 1.00 0.00 C ATOM 1067 C ASP A 73 -15.882 6.631 10.234 1.00 0.00 C ATOM 1068 O ASP A 73 -15.663 5.440 10.044 1.00 0.00 O ATOM 1069 CB ASP A 73 -14.949 7.848 8.232 1.00 0.00 C ATOM 1070 CG ASP A 73 -14.554 6.725 7.274 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -15.258 5.695 7.218 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -13.529 6.927 6.590 1.00 0.00 O ATOM 0 H ASP A 73 -16.318 9.626 9.125 1.00 0.00 H new ATOM 0 HA ASP A 73 -16.935 7.031 8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.107 8.762 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.120 8.038 8.914 1.00 0.00 H new ATOM 1077 N ASN A 74 -15.865 7.168 11.458 1.00 0.00 N ATOM 1078 CA ASN A 74 -15.796 6.405 12.698 1.00 0.00 C ATOM 1079 C ASN A 74 -16.817 5.263 12.734 1.00 0.00 C ATOM 1080 O ASN A 74 -16.595 4.282 13.438 1.00 0.00 O ATOM 1081 CB ASN A 74 -16.013 7.331 13.904 1.00 0.00 C ATOM 1082 CG ASN A 74 -15.237 6.879 15.137 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -14.689 7.713 15.851 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -15.143 5.578 15.400 1.00 0.00 N ATOM 0 H ASN A 74 -15.900 8.176 11.613 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.801 5.962 12.747 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.709 8.344 13.639 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -17.076 7.369 14.142 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.608 5.258 16.207 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.606 4.900 14.794 1.00 0.00 H new ATOM 1091 N MET A 75 -17.928 5.359 11.992 1.00 0.00 N ATOM 1092 CA MET A 75 -18.831 4.224 11.803 1.00 0.00 C ATOM 1093 C MET A 75 -18.044 2.970 11.385 1.00 0.00 C ATOM 1094 O MET A 75 -18.313 1.872 11.866 1.00 0.00 O ATOM 1095 CB MET A 75 -19.892 4.578 10.754 1.00 0.00 C ATOM 1096 CG MET A 75 -20.879 5.628 11.279 1.00 0.00 C ATOM 1097 SD MET A 75 -22.087 6.194 10.056 1.00 0.00 S ATOM 1098 CE MET A 75 -22.968 7.424 11.042 1.00 0.00 C ATOM 0 H MET A 75 -18.220 6.212 11.515 1.00 0.00 H new ATOM 0 HA MET A 75 -19.330 4.005 12.747 1.00 0.00 H new ATOM 0 HB2 MET A 75 -19.404 4.954 9.855 1.00 0.00 H new ATOM 0 HB3 MET A 75 -20.436 3.678 10.468 1.00 0.00 H new ATOM 0 HG2 MET A 75 -21.413 5.212 12.134 1.00 0.00 H new ATOM 0 HG3 MET A 75 -20.317 6.488 11.642 1.00 0.00 H new ATOM 0 HE1 MET A 75 -23.755 7.877 10.440 1.00 0.00 H new ATOM 0 HE2 MET A 75 -23.410 6.942 11.914 1.00 0.00 H new ATOM 0 HE3 MET A 75 -22.271 8.196 11.368 1.00 0.00 H new ATOM 1108 N ASP A 76 -17.042 3.153 10.521 1.00 0.00 N ATOM 1109 CA ASP A 76 -16.046 2.161 10.137 1.00 0.00 C ATOM 1110 C ASP A 76 -14.715 2.466 10.842 1.00 0.00 C ATOM 1111 O ASP A 76 -13.666 2.477 10.201 1.00 0.00 O ATOM 1112 CB ASP A 76 -15.887 2.167 8.610 1.00 0.00 C ATOM 1113 CG ASP A 76 -17.178 1.774 7.900 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -17.389 0.552 7.744 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -17.930 2.700 7.527 1.00 0.00 O ATOM 0 H ASP A 76 -16.900 4.046 10.048 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.368 1.166 10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.580 3.160 8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.092 1.477 8.325 1.00 0.00 H new ATOM 1120 N PHE A 77 -14.784 2.701 12.158 1.00 0.00 N ATOM 1121 CA PHE A 77 -13.712 2.842 13.143 1.00 0.00 C ATOM 1122 C PHE A 77 -12.293 2.898 12.572 1.00 0.00 C ATOM 1123 O PHE A 77 -11.689 1.863 12.289 1.00 0.00 O ATOM 1124 CB PHE A 77 -13.827 1.717 14.179 1.00 0.00 C ATOM 1125 CG PHE A 77 -15.144 1.695 14.934 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -16.287 1.117 14.348 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -15.253 2.335 16.183 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -17.539 1.239 14.974 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -16.504 2.448 16.814 1.00 0.00 C ATOM 1130 CZ PHE A 77 -17.649 1.908 16.204 1.00 0.00 C ATOM 0 H PHE A 77 -15.695 2.808 12.605 1.00 0.00 H new ATOM 0 HA PHE A 77 -13.859 3.820 13.601 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -13.695 0.760 13.675 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -13.012 1.815 14.896 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -16.201 0.579 13.416 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -14.372 2.741 16.658 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -18.418 0.818 14.509 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -16.585 2.950 17.767 1.00 0.00 H new ATOM 0 HZ PHE A 77 -18.613 2.007 16.681 1.00 0.00 H new ATOM 1140 N ILE A 78 -11.720 4.103 12.490 1.00 0.00 N ATOM 1141 CA ILE A 78 -10.324 4.273 12.122 1.00 0.00 C ATOM 1142 C ILE A 78 -9.517 3.831 13.348 1.00 0.00 C ATOM 1143 O ILE A 78 -9.238 4.640 14.230 1.00 0.00 O ATOM 1144 CB ILE A 78 -10.062 5.726 11.660 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -10.702 6.012 10.283 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -8.552 5.985 11.508 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -12.214 6.276 10.262 1.00 0.00 C ATOM 0 H ILE A 78 -12.212 4.977 12.676 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.024 3.668 11.267 1.00 0.00 H new ATOM 0 HB ILE A 78 -10.500 6.371 12.422 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.200 6.877 9.849 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.497 5.163 9.630 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.390 7.013 11.182 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.057 5.826 12.466 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.138 5.300 10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.537 6.462 9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.741 5.407 10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.440 7.147 10.878 1.00 0.00 H new ATOM 1159 N TYR A 79 -9.211 2.528 13.429 1.00 0.00 N ATOM 1160 CA TYR A 79 -8.642 1.864 14.603 1.00 0.00 C ATOM 1161 C TYR A 79 -7.176 1.408 14.485 1.00 0.00 C ATOM 1162 O TYR A 79 -6.924 0.231 14.238 1.00 0.00 O ATOM 1163 CB TYR A 79 -9.577 0.722 15.071 1.00 0.00 C ATOM 1164 CG TYR A 79 -9.889 0.713 16.560 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -8.852 0.868 17.502 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -11.207 0.505 17.011 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -9.144 0.904 18.876 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -11.499 0.542 18.386 1.00 0.00 C ATOM 1169 CZ TYR A 79 -10.467 0.748 19.318 1.00 0.00 C ATOM 1170 OH TYR A 79 -10.744 0.787 20.651 1.00 0.00 O ATOM 0 H TYR A 79 -9.360 1.888 12.649 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.588 2.636 15.370 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.515 0.792 14.519 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.121 -0.232 14.805 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.829 0.959 17.167 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.996 0.316 16.298 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.350 1.052 19.593 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.516 0.412 18.726 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.706 0.664 20.789 1.00 0.00 H new ATOM 1180 N PRO A 80 -6.204 2.308 14.719 1.00 0.00 N ATOM 1181 CA PRO A 80 -4.799 1.971 14.882 1.00 0.00 C ATOM 1182 C PRO A 80 -4.638 0.794 15.845 1.00 0.00 C ATOM 1183 O PRO A 80 -4.134 -0.255 15.444 1.00 0.00 O ATOM 1184 CB PRO A 80 -4.120 3.245 15.396 1.00 0.00 C ATOM 1185 CG PRO A 80 -4.975 4.349 14.783 1.00 0.00 C ATOM 1186 CD PRO A 80 -6.374 3.745 14.698 1.00 0.00 C ATOM 0 HA PRO A 80 -4.341 1.649 13.947 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.118 3.292 16.485 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.081 3.310 15.072 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.967 5.247 15.401 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.606 4.636 13.798 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.990 4.075 15.534 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.879 4.062 13.786 1.00 0.00 H new ATOM 1194 N GLY A 81 -5.100 0.961 17.091 1.00 0.00 N ATOM 1195 CA GLY A 81 -5.177 -0.088 18.099 1.00 0.00 C ATOM 1196 C GLY A 81 -3.804 -0.662 18.448 1.00 0.00 C ATOM 1197 O GLY A 81 -3.210 -0.292 19.457 1.00 0.00 O ATOM 0 H GLY A 81 -5.440 1.861 17.430 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.641 0.312 19.001 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.822 -0.889 17.737 1.00 0.00 H new ATOM 1201 N THR A 82 -3.317 -1.577 17.612 1.00 0.00 N ATOM 1202 CA THR A 82 -1.973 -2.118 17.665 1.00 0.00 C ATOM 1203 C THR A 82 -1.113 -1.262 16.735 1.00 0.00 C ATOM 1204 O THR A 82 -0.350 -0.414 17.190 1.00 0.00 O ATOM 1205 CB THR A 82 -2.028 -3.591 17.228 1.00 0.00 C ATOM 1206 OG1 THR A 82 -2.748 -3.703 16.010 1.00 0.00 O ATOM 1207 CG2 THR A 82 -2.737 -4.436 18.291 1.00 0.00 C ATOM 0 H THR A 82 -3.873 -1.972 16.854 1.00 0.00 H new ATOM 0 HA THR A 82 -1.542 -2.091 18.666 1.00 0.00 H new ATOM 0 HB THR A 82 -1.007 -3.949 17.097 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.779 -4.643 15.734 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.768 -5.476 17.967 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.194 -4.365 19.234 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.754 -4.068 18.429 1.00 0.00 H new ATOM 1215 N ARG A 83 -1.276 -1.469 15.426 1.00 0.00 N ATOM 1216 CA ARG A 83 -0.705 -0.636 14.381 1.00 0.00 C ATOM 1217 C ARG A 83 -1.422 -0.914 13.053 1.00 0.00 C ATOM 1218 O ARG A 83 -0.790 -1.277 12.059 1.00 0.00 O ATOM 1219 CB ARG A 83 0.814 -0.855 14.272 1.00 0.00 C ATOM 1220 CG ARG A 83 1.442 0.244 13.399 1.00 0.00 C ATOM 1221 CD ARG A 83 2.523 -0.302 12.462 1.00 0.00 C ATOM 1222 NE ARG A 83 2.685 0.575 11.297 1.00 0.00 N ATOM 1223 CZ ARG A 83 1.941 0.518 10.184 1.00 0.00 C ATOM 1224 NH1 ARG A 83 0.891 -0.307 10.091 1.00 0.00 N ATOM 1225 NH2 ARG A 83 2.268 1.309 9.160 1.00 0.00 N ATOM 0 H ARG A 83 -1.826 -2.246 15.060 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.854 0.413 14.635 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.264 -0.844 15.265 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.019 -1.835 13.841 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.662 0.725 12.809 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.875 1.011 14.041 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.469 -0.384 12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.255 -1.306 12.134 1.00 0.00 H new ATOM 0 HE ARG A 83 3.420 1.282 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.644 -0.908 10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.338 -0.334 9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.068 1.937 9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.718 1.285 8.301 1.00 0.00 H new ATOM 1239 N ASN A 84 -2.741 -0.702 13.025 1.00 0.00 N ATOM 1240 CA ASN A 84 -3.571 -0.761 11.823 1.00 0.00 C ATOM 1241 C ASN A 84 -4.104 0.647 11.508 1.00 0.00 C ATOM 1242 O ASN A 84 -5.284 0.924 11.721 1.00 0.00 O ATOM 1243 CB ASN A 84 -4.698 -1.780 12.057 1.00 0.00 C ATOM 1244 CG ASN A 84 -5.515 -2.051 10.795 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -5.341 -3.077 10.146 1.00 0.00 O ATOM 1246 ND2 ASN A 84 -6.415 -1.144 10.430 1.00 0.00 N ATOM 0 H ASN A 84 -3.275 -0.478 13.865 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.996 -1.090 10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.269 -2.716 12.415 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.359 -1.412 12.841 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.979 -1.293 9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.541 -0.298 10.986 1.00 0.00 H new ATOM 1253 N PRO A 85 -3.252 1.581 11.053 1.00 0.00 N ATOM 1254 CA PRO A 85 -3.627 2.977 10.902 1.00 0.00 C ATOM 1255 C PRO A 85 -4.625 3.152 9.759 1.00 0.00 C ATOM 1256 O PRO A 85 -4.258 2.810 8.613 1.00 0.00 O ATOM 1257 CB PRO A 85 -2.315 3.728 10.643 1.00 0.00 C ATOM 1258 CG PRO A 85 -1.427 2.670 9.988 1.00 0.00 C ATOM 1259 CD PRO A 85 -1.857 1.390 10.700 1.00 0.00 C ATOM 1260 OXT PRO A 85 -5.719 3.695 10.028 1.00 0.00 O ATOM 0 HA PRO A 85 -4.128 3.365 11.788 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.466 4.587 9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.877 4.104 11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.592 2.611 8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.368 2.881 10.137 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.733 0.522 10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.250 1.214 11.588 1.00 0.00 H new TER 1268 PRO A 85