USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 717 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 75 TYR OH : rot -155:sc= 0.418 USER MOD Set 1.2: A 94 SER OG : rot 90:sc= 0.414 USER MOD Set 2.1: A 41 TYR OH : rot -10:sc= 1.27 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0.266 K(o=1.5,f=-6.7!) USER MOD Set 3.1: A 34 SER OG : rot -92:sc= 0.0876 USER MOD Set 3.2: A 36 TYR OH : rot -130:sc= 0.829 USER MOD Set 3.3: A 86 GLN : amide:sc= 0.443 K(o=1.4,f=0.51) USER MOD Single : A 7 THR OG1 : rot -42:sc= 0.167 USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.115 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6) USER MOD Single : A 43 SER OG : rot -170:sc=-0.00429 USER MOD Single : A 45 SER OG : rot 82:sc= 1.48 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.0305 K(o=0.031,f=-0.56) USER MOD Single : A 60 SER OG : rot -29:sc= 0.249 USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 SER OG : rot -72:sc= 1.17 USER MOD Single : A 74 ASN : amide:sc= -0.0149 K(o=-0.015,f=-2) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.127 USER MOD Single : A 81 ASN : amide:sc= 0.893 K(o=0.89,f=-0.59) USER MOD Single : A 84 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.3!) USER MOD Single : A 85 SER OG : rot -74:sc= 1.69 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 98 THR OG1 : rot -22:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 3 -12.577 -7.527 -3.046 1.00 0.00 N ATOM 27 CA PRO A 3 -11.193 -7.084 -3.059 1.00 0.00 C ATOM 28 C PRO A 3 -10.682 -6.970 -4.502 1.00 0.00 C ATOM 29 O PRO A 3 -11.329 -7.427 -5.450 1.00 0.00 O ATOM 30 CB PRO A 3 -10.441 -8.134 -2.240 1.00 0.00 C ATOM 31 CG PRO A 3 -11.231 -9.415 -2.508 1.00 0.00 C ATOM 32 CD PRO A 3 -12.669 -8.907 -2.595 1.00 0.00 C ATOM 0 HA PRO A 3 -11.055 -6.091 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.403 -8.227 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.427 -7.884 -1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.916 -9.900 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.106 -10.143 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.254 -9.508 -3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.165 -8.969 -1.626 1.00 0.00 H new ATOM 40 N ILE A 4 -9.504 -6.374 -4.675 1.00 0.00 N ATOM 41 CA ILE A 4 -8.883 -6.152 -5.968 1.00 0.00 C ATOM 42 C ILE A 4 -7.690 -7.093 -6.056 1.00 0.00 C ATOM 43 O ILE A 4 -6.743 -6.984 -5.277 1.00 0.00 O ATOM 44 CB ILE A 4 -8.515 -4.674 -6.235 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.629 -3.673 -5.848 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.229 -4.537 -7.744 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.578 -3.277 -4.367 1.00 0.00 C ATOM 0 H ILE A 4 -8.945 -6.025 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.597 -6.374 -6.761 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.653 -4.429 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.537 -2.778 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.601 -4.114 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.965 -3.504 -7.972 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.402 -5.192 -8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.117 -4.818 -8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.382 -2.573 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.698 -4.166 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.618 -2.810 -4.148 1.00 0.00 H new ATOM 59 N ALA A 5 -7.702 -7.993 -7.035 1.00 0.00 N ATOM 60 CA ALA A 5 -6.561 -8.849 -7.276 1.00 0.00 C ATOM 61 C ALA A 5 -5.622 -8.009 -8.128 1.00 0.00 C ATOM 62 O ALA A 5 -5.903 -7.749 -9.301 1.00 0.00 O ATOM 63 CB ALA A 5 -6.993 -10.135 -7.989 1.00 0.00 C ATOM 0 H ALA A 5 -8.488 -8.143 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.076 -9.176 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.121 -10.766 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.712 -10.671 -7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.454 -9.884 -8.944 1.00 0.00 H new ATOM 69 N ILE A 6 -4.535 -7.533 -7.527 1.00 0.00 N ATOM 70 CA ILE A 6 -3.521 -6.735 -8.204 1.00 0.00 C ATOM 71 C ILE A 6 -2.384 -7.693 -8.568 1.00 0.00 C ATOM 72 O ILE A 6 -2.454 -8.867 -8.228 1.00 0.00 O ATOM 73 CB ILE A 6 -3.173 -5.479 -7.369 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.615 -5.662 -5.943 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.434 -4.599 -7.258 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.202 -6.243 -5.865 1.00 0.00 C ATOM 0 H ILE A 6 -4.332 -7.694 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.854 -6.292 -9.142 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.344 -5.042 -7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.621 -4.694 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.289 -6.313 -5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.206 -3.709 -6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.760 -4.303 -8.255 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.229 -5.162 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.902 -6.332 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.187 -7.228 -6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.508 -5.584 -6.387 1.00 0.00 H new ATOM 88 N THR A 7 -1.375 -7.255 -9.317 1.00 0.00 N ATOM 89 CA THR A 7 -0.327 -8.145 -9.819 1.00 0.00 C ATOM 90 C THR A 7 1.049 -7.780 -9.250 1.00 0.00 C ATOM 91 O THR A 7 2.021 -7.663 -9.991 1.00 0.00 O ATOM 92 CB THR A 7 -0.496 -8.299 -11.345 1.00 0.00 C ATOM 93 OG1 THR A 7 0.452 -9.180 -11.922 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.480 -6.966 -12.103 1.00 0.00 C ATOM 0 H THR A 7 -1.259 -6.280 -9.593 1.00 0.00 H new ATOM 0 HA THR A 7 -0.425 -9.164 -9.444 1.00 0.00 H new ATOM 0 HB THR A 7 -1.489 -8.736 -11.455 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.334 -9.015 -11.528 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.604 -7.153 -13.170 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.295 -6.336 -11.748 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.470 -6.461 -11.931 1.00 0.00 H new ATOM 102 N CYS A 8 1.112 -7.547 -7.932 1.00 0.00 N ATOM 103 CA CYS A 8 2.270 -7.231 -7.077 1.00 0.00 C ATOM 104 C CYS A 8 3.330 -6.250 -7.625 1.00 0.00 C ATOM 105 O CYS A 8 4.339 -6.009 -6.975 1.00 0.00 O ATOM 106 CB CYS A 8 2.950 -8.555 -6.707 1.00 0.00 C ATOM 107 SG CYS A 8 2.115 -9.628 -5.513 1.00 0.00 S ATOM 0 H CYS A 8 0.258 -7.578 -7.375 1.00 0.00 H new ATOM 0 HA CYS A 8 1.850 -6.690 -6.229 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.095 -9.125 -7.625 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.940 -8.325 -6.315 1.00 0.00 H new ATOM 112 N PHE A 9 3.048 -5.536 -8.705 1.00 0.00 N ATOM 113 CA PHE A 9 3.917 -4.529 -9.309 1.00 0.00 C ATOM 114 C PHE A 9 3.135 -3.206 -9.417 1.00 0.00 C ATOM 115 O PHE A 9 3.661 -2.161 -9.802 1.00 0.00 O ATOM 116 CB PHE A 9 4.389 -5.099 -10.653 1.00 0.00 C ATOM 117 CG PHE A 9 5.656 -4.487 -11.209 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.905 -5.017 -10.833 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.596 -3.453 -12.157 1.00 0.00 C ATOM 120 CE1 PHE A 9 8.082 -4.520 -11.414 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.777 -2.935 -12.716 1.00 0.00 C ATOM 122 CZ PHE A 9 8.021 -3.476 -12.352 1.00 0.00 C ATOM 0 H PHE A 9 2.168 -5.646 -9.209 1.00 0.00 H new ATOM 0 HA PHE A 9 4.803 -4.304 -8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.544 -6.172 -10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.591 -4.968 -11.384 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.957 -5.806 -10.097 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.639 -3.054 -12.458 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.038 -4.942 -11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.728 -2.122 -13.425 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.929 -3.090 -12.792 1.00 0.00 H new ATOM 132 N THR A 10 1.851 -3.275 -9.060 1.00 0.00 N ATOM 133 CA THR A 10 0.863 -2.235 -8.919 1.00 0.00 C ATOM 134 C THR A 10 1.350 -1.216 -7.889 1.00 0.00 C ATOM 135 O THR A 10 1.886 -1.578 -6.837 1.00 0.00 O ATOM 136 CB THR A 10 -0.399 -2.979 -8.454 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.677 -4.018 -9.388 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.646 -2.118 -8.291 1.00 0.00 C ATOM 0 H THR A 10 1.441 -4.182 -8.838 1.00 0.00 H new ATOM 0 HA THR A 10 0.672 -1.674 -9.834 1.00 0.00 H new ATOM 0 HB THR A 10 -0.174 -3.354 -7.456 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.618 -3.971 -9.659 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.477 -2.741 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.457 -1.341 -7.550 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.896 -1.656 -9.246 1.00 0.00 H new ATOM 146 N ARG A 11 1.170 0.061 -8.204 1.00 0.00 N ATOM 147 CA ARG A 11 1.583 1.196 -7.398 1.00 0.00 C ATOM 148 C ARG A 11 0.366 1.833 -6.745 1.00 0.00 C ATOM 149 O ARG A 11 -0.771 1.510 -7.094 1.00 0.00 O ATOM 150 CB ARG A 11 2.338 2.162 -8.327 1.00 0.00 C ATOM 151 CG ARG A 11 3.622 1.484 -8.839 1.00 0.00 C ATOM 152 CD ARG A 11 4.396 2.318 -9.859 1.00 0.00 C ATOM 153 NE ARG A 11 3.669 2.372 -11.131 1.00 0.00 N ATOM 154 CZ ARG A 11 4.126 2.868 -12.280 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.368 3.315 -12.399 1.00 0.00 N ATOM 156 NH2 ARG A 11 3.330 2.938 -13.332 1.00 0.00 N ATOM 0 H ARG A 11 0.710 0.343 -9.070 1.00 0.00 H new ATOM 0 HA ARG A 11 2.245 0.900 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.704 2.446 -9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.587 3.078 -7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.272 1.270 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.361 0.526 -9.290 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.545 3.327 -9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.385 1.887 -10.016 1.00 0.00 H new ATOM 0 HE ARG A 11 2.722 1.993 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.000 3.284 -11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.692 3.690 -13.291 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.366 2.612 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.680 3.318 -14.212 1.00 0.00 H new ATOM 170 N GLY A 12 0.588 2.786 -5.843 1.00 0.00 N ATOM 171 CA GLY A 12 -0.489 3.567 -5.245 1.00 0.00 C ATOM 172 C GLY A 12 -1.295 4.328 -6.302 1.00 0.00 C ATOM 173 O GLY A 12 -2.445 4.666 -6.053 1.00 0.00 O ATOM 0 H GLY A 12 1.518 3.037 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.153 2.905 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.071 4.274 -4.528 1.00 0.00 H new ATOM 177 N LEU A 13 -0.754 4.500 -7.514 1.00 0.00 N ATOM 178 CA LEU A 13 -1.377 5.206 -8.632 1.00 0.00 C ATOM 179 C LEU A 13 -2.586 4.422 -9.146 1.00 0.00 C ATOM 180 O LEU A 13 -3.520 5.013 -9.700 1.00 0.00 O ATOM 181 CB LEU A 13 -0.374 5.235 -9.807 1.00 0.00 C ATOM 182 CG LEU A 13 0.829 6.177 -9.633 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.034 5.660 -10.424 1.00 0.00 C ATOM 184 CD2 LEU A 13 0.487 7.587 -10.121 1.00 0.00 C ATOM 0 H LEU A 13 0.169 4.134 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.667 6.201 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.000 4.224 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.910 5.523 -10.711 1.00 0.00 H new ATOM 0 HG LEU A 13 1.074 6.210 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.876 6.339 -10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.307 4.668 -10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.778 5.605 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.352 8.237 -9.989 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.218 7.551 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.352 7.978 -9.545 1.00 0.00 H new ATOM 196 N ASP A 14 -2.562 3.097 -9.002 1.00 0.00 N ATOM 197 CA ASP A 14 -3.569 2.204 -9.548 1.00 0.00 C ATOM 198 C ASP A 14 -4.895 2.358 -8.821 1.00 0.00 C ATOM 199 O ASP A 14 -5.924 2.510 -9.479 1.00 0.00 O ATOM 200 CB ASP A 14 -3.124 0.745 -9.433 1.00 0.00 C ATOM 201 CG ASP A 14 -2.108 0.339 -10.494 1.00 0.00 C ATOM 202 OD1 ASP A 14 -0.894 0.556 -10.298 1.00 0.00 O ATOM 203 OD2 ASP A 14 -2.526 -0.297 -11.493 1.00 0.00 O ATOM 0 H ASP A 14 -1.825 2.610 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.695 2.472 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.693 0.581 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.998 0.099 -9.511 1.00 0.00 H new ATOM 208 N ILE A 15 -4.896 2.329 -7.483 1.00 0.00 N ATOM 209 CA ILE A 15 -6.129 2.331 -6.699 1.00 0.00 C ATOM 210 C ILE A 15 -6.072 3.475 -5.688 1.00 0.00 C ATOM 211 O ILE A 15 -5.629 3.299 -4.551 1.00 0.00 O ATOM 212 CB ILE A 15 -6.379 0.944 -6.062 1.00 0.00 C ATOM 213 CG1 ILE A 15 -6.143 -0.178 -7.099 1.00 0.00 C ATOM 214 CG2 ILE A 15 -7.825 0.898 -5.530 1.00 0.00 C ATOM 215 CD1 ILE A 15 -6.446 -1.570 -6.573 1.00 0.00 C ATOM 0 H ILE A 15 -4.046 2.304 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.991 2.510 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.683 0.786 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.763 0.013 -7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.105 -0.142 -7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.015 -0.075 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.963 1.679 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.521 1.058 -6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.257 -2.304 -7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.807 -1.782 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.491 -1.625 -6.269 1.00 0.00 H new ATOM 227 N ARG A 16 -6.614 4.641 -6.050 1.00 0.00 N ATOM 228 CA ARG A 16 -6.620 5.818 -5.178 1.00 0.00 C ATOM 229 C ARG A 16 -7.993 6.011 -4.552 1.00 0.00 C ATOM 230 O ARG A 16 -8.522 7.121 -4.505 1.00 0.00 O ATOM 231 CB ARG A 16 -6.019 7.047 -5.888 1.00 0.00 C ATOM 232 CG ARG A 16 -4.528 6.787 -6.153 1.00 0.00 C ATOM 233 CD ARG A 16 -3.714 8.017 -6.547 1.00 0.00 C ATOM 234 NE ARG A 16 -4.012 8.483 -7.906 1.00 0.00 N ATOM 235 CZ ARG A 16 -3.570 9.625 -8.439 1.00 0.00 C ATOM 236 NH1 ARG A 16 -2.718 10.390 -7.771 1.00 0.00 N ATOM 237 NH2 ARG A 16 -3.992 9.975 -9.644 1.00 0.00 N ATOM 0 H ARG A 16 -7.060 4.795 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.952 5.659 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.542 7.234 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.143 7.937 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.087 6.351 -5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.440 6.044 -6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.914 8.822 -5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.652 7.784 -6.472 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.602 7.889 -8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.397 10.107 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.384 11.261 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.644 9.376 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.665 10.844 -10.067 1.00 0.00 H new ATOM 251 N LYS A 17 -8.630 4.907 -4.158 1.00 0.00 N ATOM 252 CA LYS A 17 -9.885 4.928 -3.411 1.00 0.00 C ATOM 253 C LYS A 17 -9.511 5.127 -1.945 1.00 0.00 C ATOM 254 O LYS A 17 -8.343 4.923 -1.593 1.00 0.00 O ATOM 255 CB LYS A 17 -10.657 3.615 -3.631 1.00 0.00 C ATOM 256 CG LYS A 17 -11.241 3.459 -5.047 1.00 0.00 C ATOM 257 CD LYS A 17 -12.205 4.595 -5.430 1.00 0.00 C ATOM 258 CE LYS A 17 -11.476 5.746 -6.138 1.00 0.00 C ATOM 259 NZ LYS A 17 -12.128 7.051 -5.914 1.00 0.00 N ATOM 0 H LYS A 17 -8.285 3.967 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.542 5.731 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.991 2.776 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.469 3.558 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.425 3.424 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.766 2.506 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.987 4.204 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.696 4.973 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.446 5.792 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.436 5.543 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.598 7.794 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.102 7.019 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.144 7.261 -4.896 1.00 0.00 H new ATOM 273 N GLU A 18 -10.455 5.523 -1.090 1.00 0.00 N ATOM 274 CA GLU A 18 -10.200 5.774 0.330 1.00 0.00 C ATOM 275 C GLU A 18 -9.494 4.570 0.949 1.00 0.00 C ATOM 276 O GLU A 18 -8.510 4.757 1.663 1.00 0.00 O ATOM 277 CB GLU A 18 -11.486 6.141 1.085 1.00 0.00 C ATOM 278 CG GLU A 18 -11.152 6.515 2.537 1.00 0.00 C ATOM 279 CD GLU A 18 -12.341 7.127 3.266 1.00 0.00 C ATOM 280 OE1 GLU A 18 -12.580 8.338 3.074 1.00 0.00 O ATOM 281 OE2 GLU A 18 -13.025 6.404 4.031 1.00 0.00 O ATOM 0 H GLU A 18 -11.425 5.680 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.542 6.638 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.983 6.976 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.181 5.301 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.820 5.625 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.321 7.221 2.546 1.00 0.00 H new ATOM 288 N LYS A 19 -9.936 3.354 0.623 1.00 0.00 N ATOM 289 CA LYS A 19 -9.279 2.122 1.025 1.00 0.00 C ATOM 290 C LYS A 19 -9.401 1.111 -0.101 1.00 0.00 C ATOM 291 O LYS A 19 -10.295 1.233 -0.946 1.00 0.00 O ATOM 292 CB LYS A 19 -9.780 1.594 2.379 1.00 0.00 C ATOM 293 CG LYS A 19 -11.135 0.874 2.363 1.00 0.00 C ATOM 294 CD LYS A 19 -11.389 0.212 3.724 1.00 0.00 C ATOM 295 CE LYS A 19 -12.724 -0.531 3.697 1.00 0.00 C ATOM 296 NZ LYS A 19 -12.944 -1.328 4.918 1.00 0.00 N ATOM 0 H LYS A 19 -10.775 3.202 0.063 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.221 2.321 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.032 0.909 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.845 2.433 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.931 1.584 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.148 0.122 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.581 -0.481 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.398 0.967 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.535 0.188 3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.755 -1.187 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.861 -1.814 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.185 -2.032 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.941 -0.701 5.747 1.00 0.00 H new ATOM 310 N ALA A 20 -8.497 0.141 -0.137 1.00 0.00 N ATOM 311 CA ALA A 20 -8.511 -0.952 -1.083 1.00 0.00 C ATOM 312 C ALA A 20 -8.031 -2.207 -0.375 1.00 0.00 C ATOM 313 O ALA A 20 -6.964 -2.208 0.238 1.00 0.00 O ATOM 314 CB ALA A 20 -7.631 -0.600 -2.283 1.00 0.00 C ATOM 0 H ALA A 20 -7.713 0.097 0.514 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.519 -1.131 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.642 -1.424 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.014 0.300 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.609 -0.425 -1.946 1.00 0.00 H new ATOM 320 N ASP A 21 -8.805 -3.277 -0.505 1.00 0.00 N ATOM 321 CA ASP A 21 -8.468 -4.604 -0.011 1.00 0.00 C ATOM 322 C ASP A 21 -7.821 -5.230 -1.226 1.00 0.00 C ATOM 323 O ASP A 21 -8.496 -5.390 -2.244 1.00 0.00 O ATOM 324 CB ASP A 21 -9.737 -5.386 0.364 1.00 0.00 C ATOM 325 CG ASP A 21 -10.563 -4.668 1.415 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.057 -4.499 2.544 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.700 -4.254 1.091 1.00 0.00 O ATOM 0 H ASP A 21 -9.712 -3.243 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.843 -4.593 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.343 -5.541 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.458 -6.372 0.735 1.00 0.00 H new ATOM 332 N VAL A 22 -6.528 -5.533 -1.172 1.00 0.00 N ATOM 333 CA VAL A 22 -5.812 -6.002 -2.349 1.00 0.00 C ATOM 334 C VAL A 22 -5.145 -7.353 -2.104 1.00 0.00 C ATOM 335 O VAL A 22 -4.697 -7.631 -0.992 1.00 0.00 O ATOM 336 CB VAL A 22 -4.849 -4.900 -2.849 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.542 -3.547 -3.071 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.647 -4.659 -1.920 1.00 0.00 C ATOM 0 H VAL A 22 -5.958 -5.462 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.521 -6.189 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.494 -5.295 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.812 -2.817 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.329 -3.659 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.977 -3.203 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.017 -3.873 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.003 -4.355 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.068 -5.578 -1.829 1.00 0.00 H new ATOM 348 N LEU A 23 -5.084 -8.195 -3.139 1.00 0.00 N ATOM 349 CA LEU A 23 -4.366 -9.467 -3.109 1.00 0.00 C ATOM 350 C LEU A 23 -3.069 -9.254 -3.851 1.00 0.00 C ATOM 351 O LEU A 23 -3.088 -8.661 -4.931 1.00 0.00 O ATOM 352 CB LEU A 23 -5.101 -10.619 -3.824 1.00 0.00 C ATOM 353 CG LEU A 23 -6.402 -11.132 -3.197 1.00 0.00 C ATOM 354 CD1 LEU A 23 -6.231 -11.327 -1.692 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.601 -10.229 -3.502 1.00 0.00 C ATOM 0 H LEU A 23 -5.539 -8.008 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.249 -9.751 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.324 -10.295 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.412 -11.460 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.618 -12.098 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.165 -11.692 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.439 -12.053 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.967 -10.376 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.495 -10.641 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.413 -9.230 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.750 -10.173 -4.580 1.00 0.00 H new ATOM 367 N CYS A 24 -1.976 -9.786 -3.316 1.00 0.00 N ATOM 368 CA CYS A 24 -0.680 -9.778 -3.957 1.00 0.00 C ATOM 369 C CYS A 24 -0.341 -11.232 -4.330 1.00 0.00 C ATOM 370 O CYS A 24 0.188 -11.954 -3.482 1.00 0.00 O ATOM 371 CB CYS A 24 0.346 -9.130 -3.022 1.00 0.00 C ATOM 372 SG CYS A 24 1.832 -8.501 -3.835 1.00 0.00 S ATOM 0 H CYS A 24 -1.973 -10.243 -2.404 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.673 -9.184 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.136 -8.308 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.643 -9.862 -2.271 1.00 0.00 H new ATOM 377 N PRO A 25 -0.689 -11.687 -5.548 1.00 0.00 N ATOM 378 CA PRO A 25 -0.361 -13.005 -6.052 1.00 0.00 C ATOM 379 C PRO A 25 1.080 -13.092 -6.549 1.00 0.00 C ATOM 380 O PRO A 25 1.601 -12.196 -7.231 1.00 0.00 O ATOM 381 CB PRO A 25 -1.328 -13.265 -7.201 1.00 0.00 C ATOM 382 CG PRO A 25 -1.626 -11.871 -7.743 1.00 0.00 C ATOM 383 CD PRO A 25 -1.483 -10.971 -6.521 1.00 0.00 C ATOM 0 HA PRO A 25 -0.451 -13.746 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.882 -13.904 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.234 -13.763 -6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.928 -11.590 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.628 -11.812 -8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.003 -10.030 -6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.462 -10.723 -6.110 1.00 0.00 H new ATOM 391 N GLY A 26 1.660 -14.255 -6.295 1.00 0.00 N ATOM 392 CA GLY A 26 3.054 -14.564 -6.547 1.00 0.00 C ATOM 393 C GLY A 26 3.912 -14.125 -5.363 1.00 0.00 C ATOM 394 O GLY A 26 3.451 -13.436 -4.452 1.00 0.00 O ATOM 0 H GLY A 26 1.149 -15.040 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.173 -15.634 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.388 -14.060 -7.454 1.00 0.00 H new ATOM 398 N GLY A 27 5.182 -14.522 -5.371 1.00 0.00 N ATOM 399 CA GLY A 27 6.092 -14.293 -4.257 1.00 0.00 C ATOM 400 C GLY A 27 6.591 -12.856 -4.140 1.00 0.00 C ATOM 401 O GLY A 27 7.269 -12.556 -3.159 1.00 0.00 O ATOM 0 H GLY A 27 5.609 -15.014 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.589 -14.567 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.951 -14.956 -4.362 1.00 0.00 H new ATOM 405 N CYS A 28 6.232 -11.978 -5.083 1.00 0.00 N ATOM 406 CA CYS A 28 6.696 -10.604 -5.231 1.00 0.00 C ATOM 407 C CYS A 28 8.203 -10.477 -4.965 1.00 0.00 C ATOM 408 O CYS A 28 8.604 -10.035 -3.889 1.00 0.00 O ATOM 409 CB CYS A 28 5.857 -9.644 -4.376 1.00 0.00 C ATOM 410 SG CYS A 28 6.067 -7.926 -4.907 1.00 0.00 S ATOM 0 H CYS A 28 5.563 -12.231 -5.810 1.00 0.00 H new ATOM 0 HA CYS A 28 6.550 -10.311 -6.271 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.805 -9.921 -4.443 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.146 -9.740 -3.329 1.00 0.00 H new ATOM 415 N PRO A 29 9.058 -10.896 -5.911 1.00 0.00 N ATOM 416 CA PRO A 29 10.499 -10.872 -5.722 1.00 0.00 C ATOM 417 C PRO A 29 11.015 -9.442 -5.577 1.00 0.00 C ATOM 418 O PRO A 29 10.380 -8.491 -6.046 1.00 0.00 O ATOM 419 CB PRO A 29 11.092 -11.553 -6.958 1.00 0.00 C ATOM 420 CG PRO A 29 10.014 -11.397 -8.028 1.00 0.00 C ATOM 421 CD PRO A 29 8.709 -11.366 -7.240 1.00 0.00 C ATOM 0 HA PRO A 29 10.788 -11.388 -4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.026 -11.081 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.313 -12.603 -6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.154 -10.482 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.032 -12.225 -8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.984 -10.702 -7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.255 -12.356 -7.198 1.00 0.00 H new ATOM 429 N LEU A 30 12.207 -9.333 -4.980 1.00 0.00 N ATOM 430 CA LEU A 30 13.010 -8.123 -4.804 1.00 0.00 C ATOM 431 C LEU A 30 13.547 -7.688 -6.169 1.00 0.00 C ATOM 432 O LEU A 30 14.742 -7.777 -6.446 1.00 0.00 O ATOM 433 CB LEU A 30 14.153 -8.403 -3.801 1.00 0.00 C ATOM 434 CG LEU A 30 13.678 -8.489 -2.336 1.00 0.00 C ATOM 435 CD1 LEU A 30 14.558 -9.452 -1.531 1.00 0.00 C ATOM 436 CD2 LEU A 30 13.707 -7.113 -1.662 1.00 0.00 C ATOM 0 H LEU A 30 12.667 -10.150 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 30 12.405 -7.313 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.642 -9.339 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.902 -7.616 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 30 12.653 -8.859 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.203 -9.495 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.509 -10.447 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.589 -9.100 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.367 -7.206 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.725 -6.723 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.050 -6.430 -2.201 1.00 0.00 H new ATOM 448 N GLU A 31 12.639 -7.308 -7.062 1.00 0.00 N ATOM 449 CA GLU A 31 12.940 -6.824 -8.392 1.00 0.00 C ATOM 450 C GLU A 31 12.959 -5.297 -8.384 1.00 0.00 C ATOM 451 O GLU A 31 14.031 -4.692 -8.364 1.00 0.00 O ATOM 452 CB GLU A 31 11.946 -7.437 -9.394 1.00 0.00 C ATOM 453 CG GLU A 31 12.454 -7.331 -10.835 1.00 0.00 C ATOM 454 CD GLU A 31 13.554 -8.356 -11.102 1.00 0.00 C ATOM 455 OE1 GLU A 31 14.716 -8.164 -10.676 1.00 0.00 O ATOM 456 OE2 GLU A 31 13.278 -9.395 -11.742 1.00 0.00 O ATOM 0 H GLU A 31 11.638 -7.332 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 31 13.933 -7.139 -8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.777 -8.484 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.985 -6.930 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.628 -7.489 -11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.836 -6.326 -11.017 1.00 0.00 H new ATOM 463 N GLU A 32 11.788 -4.656 -8.342 1.00 0.00 N ATOM 464 CA GLU A 32 11.661 -3.212 -8.453 1.00 0.00 C ATOM 465 C GLU A 32 10.790 -2.657 -7.336 1.00 0.00 C ATOM 466 O GLU A 32 9.567 -2.554 -7.492 1.00 0.00 O ATOM 467 CB GLU A 32 11.101 -2.795 -9.819 1.00 0.00 C ATOM 468 CG GLU A 32 12.115 -2.917 -10.958 1.00 0.00 C ATOM 469 CD GLU A 32 11.540 -2.391 -12.273 1.00 0.00 C ATOM 470 OE1 GLU A 32 10.898 -1.314 -12.310 1.00 0.00 O ATOM 471 OE2 GLU A 32 11.747 -3.023 -13.333 1.00 0.00 O ATOM 0 H GLU A 32 10.895 -5.136 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 32 12.662 -2.792 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.232 -3.411 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.754 -1.763 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.018 -2.361 -10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.407 -3.960 -11.078 1.00 0.00 H new ATOM 478 N PHE A 33 11.397 -2.312 -6.200 1.00 0.00 N ATOM 479 CA PHE A 33 10.683 -1.641 -5.139 1.00 0.00 C ATOM 480 C PHE A 33 11.375 -0.301 -5.013 1.00 0.00 C ATOM 481 O PHE A 33 12.538 -0.214 -4.620 1.00 0.00 O ATOM 482 CB PHE A 33 10.749 -2.431 -3.835 1.00 0.00 C ATOM 483 CG PHE A 33 10.223 -3.847 -3.913 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.042 -4.153 -4.616 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.919 -4.867 -3.246 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.568 -5.472 -4.641 1.00 0.00 C ATOM 487 CE2 PHE A 33 10.399 -6.167 -3.207 1.00 0.00 C ATOM 488 CZ PHE A 33 9.226 -6.475 -3.911 1.00 0.00 C ATOM 0 H PHE A 33 12.381 -2.491 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 33 9.620 -1.538 -5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.786 -2.463 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.185 -1.892 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.503 -3.374 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.859 -4.649 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.693 -5.718 -5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.902 -6.932 -2.634 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.830 -7.480 -3.892 1.00 0.00 H new ATOM 498 N SER A 34 10.655 0.749 -5.363 1.00 0.00 N ATOM 499 CA SER A 34 11.063 2.117 -5.198 1.00 0.00 C ATOM 500 C SER A 34 9.888 2.709 -4.442 1.00 0.00 C ATOM 501 O SER A 34 8.748 2.679 -4.920 1.00 0.00 O ATOM 502 CB SER A 34 11.386 2.728 -6.568 1.00 0.00 C ATOM 503 OG SER A 34 12.226 3.857 -6.441 1.00 0.00 O ATOM 0 H SER A 34 9.732 0.659 -5.787 1.00 0.00 H new ATOM 0 HA SER A 34 11.985 2.295 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.870 1.981 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.461 3.015 -7.068 1.00 0.00 H new ATOM 0 HG SER A 34 11.678 4.666 -6.369 1.00 0.00 H new ATOM 509 N VAL A 35 10.130 3.136 -3.213 1.00 0.00 N ATOM 510 CA VAL A 35 9.094 3.634 -2.335 1.00 0.00 C ATOM 511 C VAL A 35 9.420 5.104 -2.156 1.00 0.00 C ATOM 512 O VAL A 35 10.581 5.512 -2.199 1.00 0.00 O ATOM 513 CB VAL A 35 9.069 2.793 -1.046 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.035 3.300 -0.040 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.708 1.336 -1.373 1.00 0.00 C ATOM 0 H VAL A 35 11.061 3.145 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 35 8.079 3.547 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 35 10.065 2.871 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.057 2.673 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.268 4.329 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.042 3.260 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.693 0.750 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.724 1.301 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.450 0.922 -2.056 1.00 0.00 H new ATOM 525 N TYR A 36 8.391 5.917 -1.985 1.00 0.00 N ATOM 526 CA TYR A 36 8.549 7.347 -1.940 1.00 0.00 C ATOM 527 C TYR A 36 7.941 7.860 -0.647 1.00 0.00 C ATOM 528 O TYR A 36 6.729 8.051 -0.570 1.00 0.00 O ATOM 529 CB TYR A 36 7.962 7.946 -3.216 1.00 0.00 C ATOM 530 CG TYR A 36 8.818 7.749 -4.451 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.789 6.534 -5.162 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.690 8.777 -4.857 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.676 6.316 -6.232 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.568 8.571 -5.930 1.00 0.00 C ATOM 535 CZ TYR A 36 10.596 7.324 -6.592 1.00 0.00 C ATOM 536 OH TYR A 36 11.523 7.106 -7.560 1.00 0.00 O ATOM 0 H TYR A 36 7.428 5.598 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 36 9.595 7.655 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.982 7.503 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.806 9.014 -3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.082 5.766 -4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.682 9.726 -4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.653 5.383 -6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.224 9.367 -6.251 1.00 0.00 H new ATOM 0 HH TYR A 36 12.408 7.366 -7.230 1.00 0.00 H new ATOM 546 N GLY A 37 8.782 8.047 0.371 1.00 0.00 N ATOM 547 CA GLY A 37 8.385 8.449 1.707 1.00 0.00 C ATOM 548 C GLY A 37 8.108 7.238 2.591 1.00 0.00 C ATOM 549 O GLY A 37 7.738 6.170 2.108 1.00 0.00 O ATOM 0 H GLY A 37 9.789 7.917 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.171 9.057 2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.493 9.073 1.651 1.00 0.00 H new ATOM 553 N ASN A 38 8.310 7.398 3.898 1.00 0.00 N ATOM 554 CA ASN A 38 7.979 6.399 4.910 1.00 0.00 C ATOM 555 C ASN A 38 6.605 6.727 5.500 1.00 0.00 C ATOM 556 O ASN A 38 6.326 7.904 5.761 1.00 0.00 O ATOM 557 CB ASN A 38 9.063 6.363 5.997 1.00 0.00 C ATOM 558 CG ASN A 38 8.998 7.551 6.948 1.00 0.00 C ATOM 559 OD1 ASN A 38 9.229 8.687 6.550 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.643 7.325 8.197 1.00 0.00 N ATOM 0 H ASN A 38 8.718 8.246 4.291 1.00 0.00 H new ATOM 0 HA ASN A 38 7.939 5.408 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.963 5.441 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.044 6.339 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.556 8.103 8.851 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.455 6.372 8.509 1.00 0.00 H new ATOM 567 N ILE A 39 5.782 5.703 5.767 1.00 0.00 N ATOM 568 CA ILE A 39 4.382 5.762 6.219 1.00 0.00 C ATOM 569 C ILE A 39 3.478 6.415 5.177 1.00 0.00 C ATOM 570 O ILE A 39 2.499 5.793 4.760 1.00 0.00 O ATOM 571 CB ILE A 39 4.258 6.324 7.660 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.556 5.204 8.671 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.919 7.015 7.985 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.386 4.240 8.903 1.00 0.00 C ATOM 0 H ILE A 39 6.100 4.739 5.665 1.00 0.00 H new ATOM 0 HA ILE A 39 4.003 4.743 6.302 1.00 0.00 H new ATOM 0 HB ILE A 39 4.997 7.122 7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.418 4.635 8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.836 5.654 9.623 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.934 7.372 9.015 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.772 7.859 7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.103 6.304 7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.678 3.481 9.629 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.528 4.794 9.283 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.119 3.759 7.962 1.00 0.00 H new ATOM 586 N VAL A 40 3.748 7.666 4.818 1.00 0.00 N ATOM 587 CA VAL A 40 3.085 8.377 3.752 1.00 0.00 C ATOM 588 C VAL A 40 3.879 7.950 2.523 1.00 0.00 C ATOM 589 O VAL A 40 4.934 8.512 2.226 1.00 0.00 O ATOM 590 CB VAL A 40 3.129 9.895 3.999 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.681 10.701 2.778 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.194 10.296 5.146 1.00 0.00 C ATOM 0 H VAL A 40 4.462 8.225 5.284 1.00 0.00 H new ATOM 0 HA VAL A 40 2.023 8.152 3.654 1.00 0.00 H new ATOM 0 HB VAL A 40 4.170 10.117 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.731 11.766 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.336 10.479 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.656 10.433 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.246 11.374 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.171 10.013 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.499 9.786 6.060 1.00 0.00 H new ATOM 602 N TYR A 41 3.389 6.917 1.856 1.00 0.00 N ATOM 603 CA TYR A 41 3.915 6.439 0.600 1.00 0.00 C ATOM 604 C TYR A 41 3.255 7.312 -0.461 1.00 0.00 C ATOM 605 O TYR A 41 2.031 7.303 -0.588 1.00 0.00 O ATOM 606 CB TYR A 41 3.558 4.952 0.457 1.00 0.00 C ATOM 607 CG TYR A 41 4.059 4.102 1.612 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.435 4.043 1.879 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.162 3.425 2.458 1.00 0.00 C ATOM 610 CE1 TYR A 41 5.931 3.315 2.972 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.643 2.712 3.573 1.00 0.00 C ATOM 612 CZ TYR A 41 5.031 2.650 3.832 1.00 0.00 C ATOM 613 OH TYR A 41 5.492 1.985 4.924 1.00 0.00 O ATOM 0 H TYR A 41 2.591 6.376 2.189 1.00 0.00 H new ATOM 0 HA TYR A 41 5.000 6.507 0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.475 4.851 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.978 4.572 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.124 4.566 1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.102 3.452 2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.994 3.264 3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.949 2.211 4.232 1.00 0.00 H new ATOM 0 HH TYR A 41 6.469 1.925 4.882 1.00 0.00 H new ATOM 623 N ALA A 42 4.007 8.140 -1.183 1.00 0.00 N ATOM 624 CA ALA A 42 3.435 8.901 -2.284 1.00 0.00 C ATOM 625 C ALA A 42 2.925 7.938 -3.359 1.00 0.00 C ATOM 626 O ALA A 42 3.410 6.808 -3.470 1.00 0.00 O ATOM 627 CB ALA A 42 4.459 9.871 -2.862 1.00 0.00 C ATOM 0 H ALA A 42 5.002 8.298 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 42 2.598 9.491 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.009 10.429 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.781 10.565 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.320 9.314 -3.231 1.00 0.00 H new ATOM 633 N SER A 43 2.009 8.444 -4.186 1.00 0.00 N ATOM 634 CA SER A 43 1.281 7.782 -5.267 1.00 0.00 C ATOM 635 C SER A 43 2.111 6.712 -5.998 1.00 0.00 C ATOM 636 O SER A 43 1.668 5.581 -6.176 1.00 0.00 O ATOM 637 CB SER A 43 0.843 8.915 -6.212 1.00 0.00 C ATOM 638 OG SER A 43 -0.217 8.598 -7.083 1.00 0.00 O ATOM 0 H SER A 43 1.732 9.423 -4.107 1.00 0.00 H new ATOM 0 HA SER A 43 0.431 7.225 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.551 9.775 -5.610 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.702 9.220 -6.809 1.00 0.00 H new ATOM 0 HG SER A 43 -0.321 9.313 -7.745 1.00 0.00 H new ATOM 644 N VAL A 44 3.323 7.066 -6.422 1.00 0.00 N ATOM 645 CA VAL A 44 4.218 6.249 -7.234 1.00 0.00 C ATOM 646 C VAL A 44 4.708 4.959 -6.543 1.00 0.00 C ATOM 647 O VAL A 44 5.089 4.022 -7.240 1.00 0.00 O ATOM 648 CB VAL A 44 5.370 7.172 -7.710 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.993 7.991 -6.562 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.467 6.433 -8.483 1.00 0.00 C ATOM 0 H VAL A 44 3.726 7.976 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 44 3.669 5.857 -8.090 1.00 0.00 H new ATOM 0 HB VAL A 44 4.892 7.864 -8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.793 8.618 -6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.228 8.621 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.399 7.314 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.239 7.141 -8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.907 5.665 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.036 5.966 -9.369 1.00 0.00 H new ATOM 660 N SER A 45 4.684 4.863 -5.213 1.00 0.00 N ATOM 661 CA SER A 45 5.256 3.723 -4.498 1.00 0.00 C ATOM 662 C SER A 45 4.550 2.403 -4.838 1.00 0.00 C ATOM 663 O SER A 45 3.317 2.364 -4.902 1.00 0.00 O ATOM 664 CB SER A 45 5.172 3.968 -2.987 1.00 0.00 C ATOM 665 OG SER A 45 5.586 5.278 -2.635 1.00 0.00 O ATOM 0 H SER A 45 4.270 5.569 -4.605 1.00 0.00 H new ATOM 0 HA SER A 45 6.295 3.632 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.147 3.810 -2.651 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.794 3.240 -2.467 1.00 0.00 H new ATOM 0 HG SER A 45 4.847 5.905 -2.782 1.00 0.00 H new ATOM 671 N SER A 46 5.316 1.321 -5.023 1.00 0.00 N ATOM 672 CA SER A 46 4.773 -0.023 -5.216 1.00 0.00 C ATOM 673 C SER A 46 4.002 -0.446 -3.966 1.00 0.00 C ATOM 674 O SER A 46 4.408 -0.141 -2.840 1.00 0.00 O ATOM 675 CB SER A 46 5.911 -1.001 -5.545 1.00 0.00 C ATOM 676 OG SER A 46 5.509 -2.361 -5.503 1.00 0.00 O ATOM 0 H SER A 46 6.335 1.357 -5.043 1.00 0.00 H new ATOM 0 HA SER A 46 4.079 -0.029 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.300 -0.774 -6.538 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.728 -0.848 -4.840 1.00 0.00 H new ATOM 0 HG SER A 46 6.273 -2.935 -5.722 1.00 0.00 H new ATOM 682 N ILE A 47 2.912 -1.192 -4.164 1.00 0.00 N ATOM 683 CA ILE A 47 2.130 -1.782 -3.089 1.00 0.00 C ATOM 684 C ILE A 47 2.990 -2.812 -2.346 1.00 0.00 C ATOM 685 O ILE A 47 2.938 -2.823 -1.118 1.00 0.00 O ATOM 686 CB ILE A 47 0.799 -2.354 -3.643 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.102 -1.180 -4.103 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.052 -3.219 -2.607 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.424 -1.611 -4.747 1.00 0.00 C ATOM 0 H ILE A 47 2.547 -1.403 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 47 1.843 -1.025 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 47 1.038 -3.004 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.320 -0.547 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.453 -0.570 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.873 -3.595 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.681 -4.059 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.181 -2.616 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.992 -0.727 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.218 -2.218 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.004 -2.195 -4.032 1.00 0.00 H new ATOM 701 N CYS A 48 3.795 -3.637 -3.038 1.00 0.00 N ATOM 702 CA CYS A 48 4.710 -4.550 -2.349 1.00 0.00 C ATOM 703 C CYS A 48 5.694 -3.753 -1.517 1.00 0.00 C ATOM 704 O CYS A 48 5.830 -4.029 -0.331 1.00 0.00 O ATOM 705 CB CYS A 48 5.514 -5.435 -3.301 1.00 0.00 C ATOM 706 SG CYS A 48 4.629 -6.857 -3.944 1.00 0.00 S ATOM 0 H CYS A 48 3.828 -3.687 -4.056 1.00 0.00 H new ATOM 0 HA CYS A 48 4.086 -5.196 -1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.852 -4.827 -4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.406 -5.785 -2.781 1.00 0.00 H new ATOM 711 N GLY A 49 6.357 -2.768 -2.130 1.00 0.00 N ATOM 712 CA GLY A 49 7.337 -1.943 -1.446 1.00 0.00 C ATOM 713 C GLY A 49 6.744 -1.385 -0.155 1.00 0.00 C ATOM 714 O GLY A 49 7.259 -1.646 0.929 1.00 0.00 O ATOM 0 H GLY A 49 6.225 -2.526 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.227 -2.532 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.651 -1.125 -2.094 1.00 0.00 H new ATOM 718 N ALA A 50 5.619 -0.674 -0.263 1.00 0.00 N ATOM 719 CA ALA A 50 4.913 -0.125 0.881 1.00 0.00 C ATOM 720 C ALA A 50 4.588 -1.206 1.918 1.00 0.00 C ATOM 721 O ALA A 50 4.850 -1.004 3.099 1.00 0.00 O ATOM 722 CB ALA A 50 3.641 0.573 0.398 1.00 0.00 C ATOM 0 H ALA A 50 5.175 -0.465 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 50 5.559 0.601 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.106 0.987 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.906 1.377 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.003 -0.147 -0.115 1.00 0.00 H new ATOM 728 N ALA A 51 3.997 -2.333 1.510 1.00 0.00 N ATOM 729 CA ALA A 51 3.535 -3.369 2.426 1.00 0.00 C ATOM 730 C ALA A 51 4.691 -4.008 3.188 1.00 0.00 C ATOM 731 O ALA A 51 4.638 -4.115 4.416 1.00 0.00 O ATOM 732 CB ALA A 51 2.725 -4.419 1.660 1.00 0.00 C ATOM 0 H ALA A 51 3.827 -2.549 0.528 1.00 0.00 H new ATOM 0 HA ALA A 51 2.889 -2.903 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.383 -5.190 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.863 -3.943 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.351 -4.872 0.892 1.00 0.00 H new ATOM 738 N VAL A 52 5.714 -4.460 2.470 1.00 0.00 N ATOM 739 CA VAL A 52 6.868 -5.120 3.053 1.00 0.00 C ATOM 740 C VAL A 52 7.654 -4.124 3.921 1.00 0.00 C ATOM 741 O VAL A 52 8.125 -4.507 4.991 1.00 0.00 O ATOM 742 CB VAL A 52 7.670 -5.843 1.948 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.791 -6.697 2.546 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.793 -6.820 1.136 1.00 0.00 C ATOM 0 H VAL A 52 5.762 -4.375 1.455 1.00 0.00 H new ATOM 0 HA VAL A 52 6.574 -5.912 3.742 1.00 0.00 H new ATOM 0 HB VAL A 52 8.060 -5.049 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.338 -7.193 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.473 -6.060 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.362 -7.447 3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.400 -7.304 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.378 -7.576 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.981 -6.270 0.660 1.00 0.00 H new ATOM 754 N HIS A 53 7.727 -2.840 3.546 1.00 0.00 N ATOM 755 CA HIS A 53 8.342 -1.789 4.363 1.00 0.00 C ATOM 756 C HIS A 53 7.568 -1.571 5.662 1.00 0.00 C ATOM 757 O HIS A 53 8.141 -1.517 6.750 1.00 0.00 O ATOM 758 CB HIS A 53 8.373 -0.477 3.575 1.00 0.00 C ATOM 759 CG HIS A 53 9.037 0.647 4.321 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.403 1.734 4.931 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.384 0.811 4.395 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.406 2.543 5.320 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.603 2.029 4.987 1.00 0.00 N ATOM 0 H HIS A 53 7.357 -2.500 2.658 1.00 0.00 H new ATOM 0 HA HIS A 53 9.355 -2.106 4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.897 -0.639 2.633 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.352 -0.186 3.326 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.137 0.116 4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.267 3.483 5.833 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.511 2.466 5.146 1.00 0.00 H new ATOM 771 N ARG A 54 6.245 -1.442 5.558 1.00 0.00 N ATOM 772 CA ARG A 54 5.338 -1.303 6.692 1.00 0.00 C ATOM 773 C ARG A 54 5.424 -2.530 7.610 1.00 0.00 C ATOM 774 O ARG A 54 5.093 -2.432 8.791 1.00 0.00 O ATOM 775 CB ARG A 54 3.922 -1.076 6.131 1.00 0.00 C ATOM 776 CG ARG A 54 2.875 -0.561 7.127 1.00 0.00 C ATOM 777 CD ARG A 54 2.949 0.956 7.321 1.00 0.00 C ATOM 778 NE ARG A 54 1.814 1.432 8.126 1.00 0.00 N ATOM 779 CZ ARG A 54 1.687 1.328 9.451 1.00 0.00 C ATOM 780 NH1 ARG A 54 2.670 0.854 10.199 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.557 1.708 10.026 1.00 0.00 N ATOM 0 H ARG A 54 5.765 -1.431 4.658 1.00 0.00 H new ATOM 0 HA ARG A 54 5.614 -0.450 7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.990 -0.366 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.564 -2.017 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.879 -0.831 6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.018 -1.055 8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.886 1.220 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.947 1.452 6.351 1.00 0.00 H new ATOM 0 HE ARG A 54 1.051 1.885 7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.545 0.560 9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.553 0.783 11.210 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.206 2.076 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.449 1.633 11.037 1.00 0.00 H new ATOM 795 N GLY A 55 5.854 -3.687 7.100 1.00 0.00 N ATOM 796 CA GLY A 55 5.857 -4.941 7.840 1.00 0.00 C ATOM 797 C GLY A 55 4.446 -5.516 7.911 1.00 0.00 C ATOM 798 O GLY A 55 4.075 -6.153 8.896 1.00 0.00 O ATOM 0 H GLY A 55 6.213 -3.775 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.524 -5.655 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.241 -4.776 8.847 1.00 0.00 H new ATOM 802 N VAL A 56 3.616 -5.212 6.914 1.00 0.00 N ATOM 803 CA VAL A 56 2.280 -5.759 6.730 1.00 0.00 C ATOM 804 C VAL A 56 2.373 -7.211 6.283 1.00 0.00 C ATOM 805 O VAL A 56 1.664 -8.055 6.825 1.00 0.00 O ATOM 806 CB VAL A 56 1.515 -4.833 5.766 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.199 -5.394 5.238 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.147 -3.557 6.543 1.00 0.00 C ATOM 0 H VAL A 56 3.871 -4.548 6.183 1.00 0.00 H new ATOM 0 HA VAL A 56 1.714 -5.786 7.661 1.00 0.00 H new ATOM 0 HB VAL A 56 2.174 -4.681 4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.263 -4.669 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.390 -6.319 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.472 -5.596 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.602 -2.877 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.521 -3.818 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.057 -3.071 6.896 1.00 0.00 H new ATOM 818 N ILE A 57 3.268 -7.516 5.349 1.00 0.00 N ATOM 819 CA ILE A 57 3.546 -8.871 4.907 1.00 0.00 C ATOM 820 C ILE A 57 5.049 -8.997 4.676 1.00 0.00 C ATOM 821 O ILE A 57 5.731 -7.992 4.464 1.00 0.00 O ATOM 822 CB ILE A 57 2.770 -9.195 3.606 1.00 0.00 C ATOM 823 CG1 ILE A 57 2.973 -8.122 2.507 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.266 -9.380 3.889 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.897 -8.680 1.084 1.00 0.00 C ATOM 0 H ILE A 57 3.830 -6.812 4.871 1.00 0.00 H new ATOM 0 HA ILE A 57 3.222 -9.581 5.668 1.00 0.00 H new ATOM 0 HB ILE A 57 3.182 -10.131 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.217 -7.346 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.943 -7.646 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.746 -9.606 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.126 -10.201 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.861 -8.463 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.048 -7.872 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.671 -9.435 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.918 -9.130 0.922 1.00 0.00 H new ATOM 837 N SER A 58 5.560 -10.223 4.715 1.00 0.00 N ATOM 838 CA SER A 58 6.945 -10.495 4.370 1.00 0.00 C ATOM 839 C SER A 58 7.066 -10.390 2.845 1.00 0.00 C ATOM 840 O SER A 58 6.056 -10.248 2.143 1.00 0.00 O ATOM 841 CB SER A 58 7.311 -11.910 4.830 1.00 0.00 C ATOM 842 OG SER A 58 6.894 -12.130 6.162 1.00 0.00 O ATOM 0 H SER A 58 5.027 -11.050 4.985 1.00 0.00 H new ATOM 0 HA SER A 58 7.618 -9.787 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.844 -12.643 4.172 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.389 -12.054 4.753 1.00 0.00 H new ATOM 0 HG SER A 58 7.136 -13.040 6.435 1.00 0.00 H new ATOM 848 N ASN A 59 8.281 -10.514 2.306 1.00 0.00 N ATOM 849 CA ASN A 59 8.496 -10.560 0.860 1.00 0.00 C ATOM 850 C ASN A 59 8.025 -11.938 0.360 1.00 0.00 C ATOM 851 O ASN A 59 8.828 -12.830 0.087 1.00 0.00 O ATOM 852 CB ASN A 59 9.986 -10.306 0.585 1.00 0.00 C ATOM 853 CG ASN A 59 10.159 -9.837 -0.840 1.00 0.00 C ATOM 854 OD1 ASN A 59 10.148 -8.639 -1.072 1.00 0.00 O ATOM 855 ND2 ASN A 59 10.272 -10.727 -1.804 1.00 0.00 N ATOM 0 H ASN A 59 9.137 -10.585 2.856 1.00 0.00 H new ATOM 0 HA ASN A 59 7.930 -9.795 0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.372 -9.557 1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.559 -11.218 0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.353 -10.421 -2.774 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.278 -11.722 -1.581 1.00 0.00 H new ATOM 862 N SER A 60 6.707 -12.134 0.317 1.00 0.00 N ATOM 863 CA SER A 60 6.035 -13.389 0.013 1.00 0.00 C ATOM 864 C SER A 60 4.702 -13.236 -0.732 1.00 0.00 C ATOM 865 O SER A 60 4.161 -14.260 -1.157 1.00 0.00 O ATOM 866 CB SER A 60 5.807 -14.084 1.364 1.00 0.00 C ATOM 867 OG SER A 60 5.328 -15.410 1.244 1.00 0.00 O ATOM 0 H SER A 60 6.048 -11.378 0.504 1.00 0.00 H new ATOM 0 HA SER A 60 6.662 -13.964 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.744 -14.094 1.921 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.095 -13.501 1.948 1.00 0.00 H new ATOM 0 HG SER A 60 4.801 -15.494 0.422 1.00 0.00 H new ATOM 873 N GLY A 61 4.123 -12.032 -0.807 1.00 0.00 N ATOM 874 CA GLY A 61 2.788 -11.829 -1.369 1.00 0.00 C ATOM 875 C GLY A 61 1.749 -12.074 -0.264 1.00 0.00 C ATOM 876 O GLY A 61 2.122 -12.314 0.893 1.00 0.00 O ATOM 0 H GLY A 61 4.568 -11.174 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.692 -10.816 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.621 -12.510 -2.203 1.00 0.00 H new ATOM 880 N GLY A 62 0.450 -12.015 -0.568 1.00 0.00 N ATOM 881 CA GLY A 62 -0.634 -12.176 0.404 1.00 0.00 C ATOM 882 C GLY A 62 -1.664 -11.045 0.310 1.00 0.00 C ATOM 883 O GLY A 62 -1.469 -10.108 -0.470 1.00 0.00 O ATOM 0 H GLY A 62 0.115 -11.850 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.130 -13.132 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.217 -12.203 1.411 1.00 0.00 H new ATOM 887 N PRO A 63 -2.761 -11.112 1.085 1.00 0.00 N ATOM 888 CA PRO A 63 -3.737 -10.035 1.165 1.00 0.00 C ATOM 889 C PRO A 63 -3.167 -8.868 1.981 1.00 0.00 C ATOM 890 O PRO A 63 -2.423 -9.071 2.944 1.00 0.00 O ATOM 891 CB PRO A 63 -4.967 -10.652 1.834 1.00 0.00 C ATOM 892 CG PRO A 63 -4.376 -11.739 2.728 1.00 0.00 C ATOM 893 CD PRO A 63 -3.136 -12.211 1.964 1.00 0.00 C ATOM 0 HA PRO A 63 -3.992 -9.626 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.522 -9.914 2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.658 -11.067 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.115 -11.349 3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.082 -12.554 2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.325 -12.455 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.351 -13.113 1.391 1.00 0.00 H new ATOM 901 N VAL A 64 -3.534 -7.641 1.612 1.00 0.00 N ATOM 902 CA VAL A 64 -3.055 -6.389 2.194 1.00 0.00 C ATOM 903 C VAL A 64 -4.206 -5.374 2.121 1.00 0.00 C ATOM 904 O VAL A 64 -5.158 -5.573 1.364 1.00 0.00 O ATOM 905 CB VAL A 64 -1.816 -5.927 1.380 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.268 -4.575 1.804 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.652 -6.935 1.380 1.00 0.00 C ATOM 0 H VAL A 64 -4.207 -7.486 0.861 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.755 -6.498 3.236 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.217 -5.849 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.404 -4.323 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.038 -3.814 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.968 -4.616 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.174 -6.537 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.318 -7.105 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.987 -7.877 0.947 1.00 0.00 H new ATOM 917 N ARG A 65 -4.137 -4.286 2.895 1.00 0.00 N ATOM 918 CA ARG A 65 -5.181 -3.267 2.960 1.00 0.00 C ATOM 919 C ARG A 65 -4.560 -1.885 2.813 1.00 0.00 C ATOM 920 O ARG A 65 -3.926 -1.381 3.741 1.00 0.00 O ATOM 921 CB ARG A 65 -5.958 -3.429 4.271 1.00 0.00 C ATOM 922 CG ARG A 65 -7.179 -2.503 4.294 1.00 0.00 C ATOM 923 CD ARG A 65 -8.076 -2.814 5.489 1.00 0.00 C ATOM 924 NE ARG A 65 -7.449 -2.499 6.783 1.00 0.00 N ATOM 925 CZ ARG A 65 -8.113 -2.493 7.943 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.338 -2.999 8.028 1.00 0.00 N ATOM 927 NH2 ARG A 65 -7.582 -1.910 9.006 1.00 0.00 N ATOM 0 H ARG A 65 -3.341 -4.089 3.502 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.888 -3.387 2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.278 -4.465 4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.307 -3.202 5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.852 -1.464 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.745 -2.618 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.004 -2.249 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.343 -3.871 5.470 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.454 -2.273 6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.783 -3.399 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.834 -2.988 8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.666 -1.465 8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.088 -1.905 9.891 1.00 0.00 H new ATOM 941 N VAL A 66 -4.700 -1.279 1.643 1.00 0.00 N ATOM 942 CA VAL A 66 -4.225 0.068 1.355 1.00 0.00 C ATOM 943 C VAL A 66 -5.292 1.070 1.814 1.00 0.00 C ATOM 944 O VAL A 66 -6.485 0.768 1.782 1.00 0.00 O ATOM 945 CB VAL A 66 -3.941 0.167 -0.165 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.517 1.573 -0.615 1.00 0.00 C ATOM 947 CG2 VAL A 66 -2.838 -0.816 -0.602 1.00 0.00 C ATOM 0 H VAL A 66 -5.159 -1.721 0.847 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.302 0.296 1.888 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.890 -0.084 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.334 1.571 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.310 2.284 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.606 1.863 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.667 -0.718 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.916 -0.591 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.149 -1.836 -0.377 1.00 0.00 H new ATOM 957 N TYR A 67 -4.861 2.266 2.212 1.00 0.00 N ATOM 958 CA TYR A 67 -5.670 3.423 2.562 1.00 0.00 C ATOM 959 C TYR A 67 -5.031 4.598 1.837 1.00 0.00 C ATOM 960 O TYR A 67 -3.876 4.923 2.125 1.00 0.00 O ATOM 961 CB TYR A 67 -5.700 3.684 4.076 1.00 0.00 C ATOM 962 CG TYR A 67 -6.680 2.825 4.844 1.00 0.00 C ATOM 963 CD1 TYR A 67 -8.035 3.202 4.908 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.244 1.672 5.517 1.00 0.00 C ATOM 965 CE1 TYR A 67 -8.961 2.413 5.611 1.00 0.00 C ATOM 966 CE2 TYR A 67 -7.163 0.891 6.237 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.529 1.246 6.274 1.00 0.00 C ATOM 968 OH TYR A 67 -9.428 0.476 6.948 1.00 0.00 O ATOM 0 H TYR A 67 -3.864 2.461 2.304 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.708 3.264 2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.701 3.521 4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.945 4.732 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.365 4.104 4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.203 1.386 5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.002 2.700 5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.822 0.013 6.766 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.307 0.550 6.521 1.00 0.00 H new ATOM 978 N SER A 68 -5.713 5.220 0.868 1.00 0.00 N ATOM 979 CA SER A 68 -5.140 6.427 0.279 1.00 0.00 C ATOM 980 C SER A 68 -5.105 7.523 1.348 1.00 0.00 C ATOM 981 O SER A 68 -5.778 7.452 2.381 1.00 0.00 O ATOM 982 CB SER A 68 -5.817 6.857 -1.024 1.00 0.00 C ATOM 983 OG SER A 68 -7.188 7.132 -0.856 1.00 0.00 O ATOM 0 H SER A 68 -6.615 4.925 0.493 1.00 0.00 H new ATOM 0 HA SER A 68 -4.118 6.213 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.317 7.744 -1.413 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.696 6.070 -1.769 1.00 0.00 H new ATOM 0 HG SER A 68 -7.676 6.293 -0.719 1.00 0.00 H new ATOM 989 N LEU A 69 -4.259 8.516 1.135 1.00 0.00 N ATOM 990 CA LEU A 69 -3.974 9.593 2.063 1.00 0.00 C ATOM 991 C LEU A 69 -3.952 10.875 1.217 1.00 0.00 C ATOM 992 O LEU A 69 -3.640 10.796 0.022 1.00 0.00 O ATOM 993 CB LEU A 69 -2.656 9.195 2.762 1.00 0.00 C ATOM 994 CG LEU A 69 -2.304 9.906 4.078 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.448 8.968 4.940 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.522 11.196 3.835 1.00 0.00 C ATOM 0 H LEU A 69 -3.727 8.596 0.268 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.698 9.772 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.691 8.123 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.839 9.364 2.060 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.237 10.161 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.194 9.465 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.008 8.057 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.534 8.714 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.293 11.668 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.594 10.966 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.121 11.876 3.229 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.333 12.044 1.747 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.278 13.293 0.992 1.00 0.00 C ATOM 1010 C PRO A 70 -2.841 13.685 0.609 1.00 0.00 C ATOM 1011 O PRO A 70 -1.868 12.948 0.828 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.958 14.336 1.894 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.804 13.761 3.296 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.924 12.263 3.059 1.00 0.00 C ATOM 0 HA PRO A 70 -4.788 13.205 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.480 15.312 1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.007 14.470 1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.844 14.025 3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.578 14.127 3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.398 11.698 3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.965 11.941 3.082 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.714 14.835 -0.054 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.424 15.416 -0.365 1.00 0.00 C ATOM 1024 C GLY A 71 -0.647 15.592 0.935 1.00 0.00 C ATOM 1025 O GLY A 71 -1.234 15.912 1.971 1.00 0.00 O ATOM 0 H GLY A 71 -3.507 15.383 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.874 14.772 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.552 16.377 -0.863 1.00 0.00 H new ATOM 1029 N ARG A 72 0.661 15.377 0.892 1.00 0.00 N ATOM 1030 CA ARG A 72 1.544 15.478 2.047 1.00 0.00 C ATOM 1031 C ARG A 72 2.811 16.181 1.617 1.00 0.00 C ATOM 1032 O ARG A 72 3.031 16.436 0.432 1.00 0.00 O ATOM 1033 CB ARG A 72 1.805 14.107 2.689 1.00 0.00 C ATOM 1034 CG ARG A 72 0.675 13.646 3.618 1.00 0.00 C ATOM 1035 CD ARG A 72 0.592 14.441 4.932 1.00 0.00 C ATOM 1036 NE ARG A 72 0.974 13.637 6.107 1.00 0.00 N ATOM 1037 CZ ARG A 72 2.058 13.787 6.880 1.00 0.00 C ATOM 1038 NH1 ARG A 72 2.900 14.804 6.734 1.00 0.00 N ATOM 1039 NH2 ARG A 72 2.302 12.880 7.820 1.00 0.00 N ATOM 0 H ARG A 72 1.149 15.122 0.034 1.00 0.00 H new ATOM 0 HA ARG A 72 1.066 16.068 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.944 13.366 1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.736 14.150 3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.275 13.732 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.816 12.590 3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.243 15.313 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.425 14.811 5.065 1.00 0.00 H new ATOM 0 HE ARG A 72 0.340 12.879 6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.732 15.506 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.715 14.883 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.670 12.089 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.122 12.975 8.420 1.00 0.00 H new ATOM 1053 N GLU A 73 3.588 16.587 2.601 1.00 0.00 N ATOM 1054 CA GLU A 73 4.786 17.384 2.530 1.00 0.00 C ATOM 1055 C GLU A 73 5.840 16.758 3.450 1.00 0.00 C ATOM 1056 O GLU A 73 5.548 15.801 4.166 1.00 0.00 O ATOM 1057 CB GLU A 73 4.416 18.825 2.950 1.00 0.00 C ATOM 1058 CG GLU A 73 3.926 19.011 4.408 1.00 0.00 C ATOM 1059 CD GLU A 73 2.639 18.236 4.751 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.526 18.731 4.473 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.756 17.087 5.234 1.00 0.00 O ATOM 0 H GLU A 73 3.369 16.339 3.566 1.00 0.00 H new ATOM 0 HA GLU A 73 5.204 17.416 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.289 19.460 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.638 19.188 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.718 18.695 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.755 20.072 4.588 1.00 0.00 H new ATOM 1068 N ASN A 74 7.065 17.300 3.426 1.00 0.00 N ATOM 1069 CA ASN A 74 8.174 16.940 4.318 1.00 0.00 C ATOM 1070 C ASN A 74 8.312 15.425 4.498 1.00 0.00 C ATOM 1071 O ASN A 74 8.277 14.902 5.617 1.00 0.00 O ATOM 1072 CB ASN A 74 8.062 17.701 5.654 1.00 0.00 C ATOM 1073 CG ASN A 74 8.284 19.203 5.512 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.235 19.766 4.423 1.00 0.00 O ATOM 1075 ND2 ASN A 74 8.541 19.893 6.611 1.00 0.00 N ATOM 0 H ASN A 74 7.320 18.029 2.759 1.00 0.00 H new ATOM 0 HA ASN A 74 9.104 17.255 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.075 17.525 6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.791 17.298 6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.700 20.899 6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.580 19.419 7.513 1.00 0.00 H new ATOM 1082 N TYR A 75 8.454 14.714 3.381 1.00 0.00 N ATOM 1083 CA TYR A 75 8.699 13.280 3.374 1.00 0.00 C ATOM 1084 C TYR A 75 10.153 13.033 3.806 1.00 0.00 C ATOM 1085 O TYR A 75 10.956 13.966 3.840 1.00 0.00 O ATOM 1086 CB TYR A 75 8.453 12.722 1.969 1.00 0.00 C ATOM 1087 CG TYR A 75 7.055 12.909 1.404 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.670 14.150 0.864 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.175 11.814 1.315 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.416 14.299 0.252 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.944 11.945 0.653 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.543 13.196 0.147 1.00 0.00 C ATOM 1093 OH TYR A 75 3.343 13.343 -0.474 1.00 0.00 O ATOM 0 H TYR A 75 8.401 15.124 2.449 1.00 0.00 H new ATOM 0 HA TYR A 75 8.024 12.776 4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.163 13.189 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.677 11.655 1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.343 14.993 0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.448 10.868 1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.119 15.261 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.303 11.084 0.532 1.00 0.00 H new ATOM 0 HH TYR A 75 2.717 12.668 -0.139 1.00 0.00 H new ATOM 1103 N SER A 76 10.502 11.780 4.088 1.00 0.00 N ATOM 1104 CA SER A 76 11.813 11.358 4.564 1.00 0.00 C ATOM 1105 C SER A 76 12.200 10.063 3.845 1.00 0.00 C ATOM 1106 O SER A 76 11.381 9.490 3.119 1.00 0.00 O ATOM 1107 CB SER A 76 11.780 11.153 6.087 1.00 0.00 C ATOM 1108 OG SER A 76 11.362 12.320 6.770 1.00 0.00 O ATOM 0 H SER A 76 9.851 11.001 3.986 1.00 0.00 H new ATOM 0 HA SER A 76 12.556 12.125 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.106 10.331 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.772 10.864 6.436 1.00 0.00 H new ATOM 0 HG SER A 76 11.353 12.149 7.735 1.00 0.00 H new ATOM 1114 N SER A 77 13.427 9.601 4.073 1.00 0.00 N ATOM 1115 CA SER A 77 13.962 8.357 3.552 1.00 0.00 C ATOM 1116 C SER A 77 14.220 7.431 4.738 1.00 0.00 C ATOM 1117 O SER A 77 14.907 7.832 5.678 1.00 0.00 O ATOM 1118 CB SER A 77 15.269 8.658 2.811 1.00 0.00 C ATOM 1119 OG SER A 77 15.069 9.511 1.695 1.00 0.00 O ATOM 0 H SER A 77 14.099 10.108 4.650 1.00 0.00 H new ATOM 0 HA SER A 77 13.268 7.882 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.976 9.122 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.718 7.723 2.476 1.00 0.00 H new ATOM 0 HG SER A 77 15.928 9.678 1.253 1.00 0.00 H new ATOM 1125 N VAL A 78 13.640 6.230 4.728 1.00 0.00 N ATOM 1126 CA VAL A 78 13.789 5.224 5.776 1.00 0.00 C ATOM 1127 C VAL A 78 13.739 3.847 5.103 1.00 0.00 C ATOM 1128 O VAL A 78 12.875 3.615 4.249 1.00 0.00 O ATOM 1129 CB VAL A 78 12.658 5.362 6.829 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.889 4.431 8.027 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.470 6.786 7.384 1.00 0.00 C ATOM 0 H VAL A 78 13.035 5.923 3.966 1.00 0.00 H new ATOM 0 HA VAL A 78 14.736 5.356 6.300 1.00 0.00 H new ATOM 0 HB VAL A 78 11.757 5.089 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.078 4.554 8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.917 3.397 7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.837 4.680 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.659 6.788 8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.391 7.113 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.226 7.465 6.567 1.00 0.00 H new ATOM 1141 N ASP A 79 14.579 2.907 5.539 1.00 0.00 N ATOM 1142 CA ASP A 79 14.557 1.519 5.074 1.00 0.00 C ATOM 1143 C ASP A 79 13.921 0.638 6.138 1.00 0.00 C ATOM 1144 O ASP A 79 14.003 0.932 7.336 1.00 0.00 O ATOM 1145 CB ASP A 79 15.969 0.975 4.811 1.00 0.00 C ATOM 1146 CG ASP A 79 15.942 -0.372 4.065 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.586 -1.408 4.676 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.283 -0.363 2.862 1.00 0.00 O ATOM 0 H ASP A 79 15.303 3.090 6.234 1.00 0.00 H new ATOM 0 HA ASP A 79 13.989 1.503 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.534 1.701 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.492 0.853 5.759 1.00 0.00 H new ATOM 1153 N ALA A 80 13.212 -0.392 5.698 1.00 0.00 N ATOM 1154 CA ALA A 80 12.645 -1.433 6.523 1.00 0.00 C ATOM 1155 C ALA A 80 12.588 -2.650 5.609 1.00 0.00 C ATOM 1156 O ALA A 80 12.119 -2.546 4.472 1.00 0.00 O ATOM 1157 CB ALA A 80 11.260 -1.068 7.050 1.00 0.00 C ATOM 0 H ALA A 80 13.011 -0.525 4.707 1.00 0.00 H new ATOM 0 HA ALA A 80 13.243 -1.607 7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.878 -1.883 7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.327 -0.161 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.585 -0.898 6.211 1.00 0.00 H new ATOM 1163 N ASN A 81 13.027 -3.800 6.119 1.00 0.00 N ATOM 1164 CA ASN A 81 13.078 -5.075 5.405 1.00 0.00 C ATOM 1165 C ASN A 81 13.813 -5.001 4.049 1.00 0.00 C ATOM 1166 O ASN A 81 13.566 -5.851 3.192 1.00 0.00 O ATOM 1167 CB ASN A 81 11.661 -5.682 5.290 1.00 0.00 C ATOM 1168 CG ASN A 81 11.047 -6.091 6.625 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.745 -6.467 7.565 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.732 -6.053 6.740 1.00 0.00 N ATOM 0 H ASN A 81 13.370 -3.872 7.077 1.00 0.00 H new ATOM 0 HA ASN A 81 13.689 -5.752 6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.005 -4.957 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.704 -6.555 4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.288 -6.337 7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.160 -5.740 5.955 1.00 0.00 H new ATOM 1177 N GLY A 82 14.723 -4.041 3.836 1.00 0.00 N ATOM 1178 CA GLY A 82 15.496 -3.918 2.601 1.00 0.00 C ATOM 1179 C GLY A 82 14.750 -3.159 1.504 1.00 0.00 C ATOM 1180 O GLY A 82 15.161 -3.193 0.343 1.00 0.00 O ATOM 0 H GLY A 82 14.943 -3.322 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.434 -3.407 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.751 -4.913 2.238 1.00 0.00 H new ATOM 1184 N ILE A 83 13.645 -2.496 1.845 1.00 0.00 N ATOM 1185 CA ILE A 83 12.871 -1.668 0.941 1.00 0.00 C ATOM 1186 C ILE A 83 13.224 -0.229 1.313 1.00 0.00 C ATOM 1187 O ILE A 83 12.928 0.198 2.434 1.00 0.00 O ATOM 1188 CB ILE A 83 11.360 -1.927 1.133 1.00 0.00 C ATOM 1189 CG1 ILE A 83 10.906 -3.407 1.183 1.00 0.00 C ATOM 1190 CG2 ILE A 83 10.618 -1.161 0.033 1.00 0.00 C ATOM 1191 CD1 ILE A 83 11.104 -4.199 -0.104 1.00 0.00 C ATOM 0 H ILE A 83 13.258 -2.526 2.788 1.00 0.00 H new ATOM 0 HA ILE A 83 13.096 -1.882 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 83 11.112 -1.571 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.449 -3.908 1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 83 9.849 -3.436 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.545 -1.322 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.836 -0.097 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.944 -1.519 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.754 -5.221 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.538 -3.732 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.162 -4.212 -0.364 1.00 0.00 H new ATOM 1203 N GLN A 84 13.766 0.560 0.384 1.00 0.00 N ATOM 1204 CA GLN A 84 14.243 1.901 0.699 1.00 0.00 C ATOM 1205 C GLN A 84 13.227 2.916 0.187 1.00 0.00 C ATOM 1206 O GLN A 84 12.707 2.767 -0.926 1.00 0.00 O ATOM 1207 CB GLN A 84 15.616 2.106 0.038 1.00 0.00 C ATOM 1208 CG GLN A 84 16.259 3.467 0.348 1.00 0.00 C ATOM 1209 CD GLN A 84 16.430 3.725 1.843 1.00 0.00 C ATOM 1210 OE1 GLN A 84 15.589 4.354 2.480 1.00 0.00 O ATOM 1211 NE2 GLN A 84 17.497 3.230 2.442 1.00 0.00 N ATOM 0 H GLN A 84 13.884 0.290 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 84 14.353 2.033 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.289 1.314 0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.507 2.004 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.234 3.520 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.645 4.258 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.189 2.709 1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.630 3.368 3.444 1.00 0.00 H new ATOM 1220 N SER A 85 12.985 3.972 0.967 1.00 0.00 N ATOM 1221 CA SER A 85 12.101 5.061 0.581 1.00 0.00 C ATOM 1222 C SER A 85 12.904 6.330 0.294 1.00 0.00 C ATOM 1223 O SER A 85 13.941 6.556 0.918 1.00 0.00 O ATOM 1224 CB SER A 85 10.963 5.256 1.588 1.00 0.00 C ATOM 1225 OG SER A 85 11.413 5.428 2.915 1.00 0.00 O ATOM 0 H SER A 85 13.403 4.091 1.890 1.00 0.00 H new ATOM 0 HA SER A 85 11.605 4.796 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.374 6.126 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.299 4.393 1.546 1.00 0.00 H new ATOM 0 HG SER A 85 11.725 4.569 3.269 1.00 0.00 H new ATOM 1231 N GLN A 86 12.451 7.151 -0.658 1.00 0.00 N ATOM 1232 CA GLN A 86 13.034 8.453 -0.968 1.00 0.00 C ATOM 1233 C GLN A 86 11.982 9.553 -0.826 1.00 0.00 C ATOM 1234 O GLN A 86 10.853 9.404 -1.288 1.00 0.00 O ATOM 1235 CB GLN A 86 13.765 8.440 -2.328 1.00 0.00 C ATOM 1236 CG GLN A 86 13.006 7.831 -3.521 1.00 0.00 C ATOM 1237 CD GLN A 86 13.885 7.635 -4.765 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.540 8.044 -5.872 1.00 0.00 O ATOM 1239 NE2 GLN A 86 15.032 6.986 -4.643 1.00 0.00 N ATOM 0 H GLN A 86 11.650 6.920 -1.246 1.00 0.00 H new ATOM 0 HA GLN A 86 13.812 8.682 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.028 9.467 -2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.700 7.893 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.589 6.869 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.166 8.477 -3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 86 15.329 6.642 -3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 86 15.619 6.830 -5.462 1.00 0.00 H new ATOM 1248 N MET A 87 12.330 10.637 -0.128 1.00 0.00 N ATOM 1249 CA MET A 87 11.476 11.811 0.041 1.00 0.00 C ATOM 1250 C MET A 87 11.022 12.420 -1.300 1.00 0.00 C ATOM 1251 O MET A 87 11.586 12.135 -2.357 1.00 0.00 O ATOM 1252 CB MET A 87 12.193 12.835 0.942 1.00 0.00 C ATOM 1253 CG MET A 87 13.479 13.433 0.356 1.00 0.00 C ATOM 1254 SD MET A 87 13.237 14.773 -0.846 1.00 0.00 S ATOM 1255 CE MET A 87 14.946 14.964 -1.415 1.00 0.00 C ATOM 0 H MET A 87 13.230 10.723 0.344 1.00 0.00 H new ATOM 0 HA MET A 87 10.554 11.498 0.531 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.501 13.648 1.163 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.434 12.355 1.890 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.091 13.809 1.176 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.045 12.635 -0.124 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.993 15.753 -2.166 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.583 15.228 -0.571 1.00 0.00 H new ATOM 0 HE3 MET A 87 15.291 14.027 -1.851 1.00 0.00 H new ATOM 1265 N LEU A 88 10.006 13.293 -1.256 1.00 0.00 N ATOM 1266 CA LEU A 88 9.458 14.000 -2.410 1.00 0.00 C ATOM 1267 C LEU A 88 9.145 15.437 -2.008 1.00 0.00 C ATOM 1268 O LEU A 88 8.950 15.739 -0.827 1.00 0.00 O ATOM 1269 CB LEU A 88 8.157 13.400 -2.947 1.00 0.00 C ATOM 1270 CG LEU A 88 8.059 11.872 -2.967 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.402 11.402 -1.674 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.189 11.513 -4.162 1.00 0.00 C ATOM 0 H LEU A 88 9.531 13.531 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 88 10.214 13.926 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.332 13.786 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.009 13.763 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 88 9.038 11.399 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.327 10.315 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.004 11.721 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.404 11.834 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.085 10.430 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.204 11.966 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.653 11.886 -5.075 1.00 0.00 H new ATOM 1284 N SER A 89 8.951 16.306 -2.994 1.00 0.00 N ATOM 1285 CA SER A 89 8.609 17.700 -2.793 1.00 0.00 C ATOM 1286 C SER A 89 7.093 17.943 -2.852 1.00 0.00 C ATOM 1287 O SER A 89 6.563 18.437 -3.847 1.00 0.00 O ATOM 1288 CB SER A 89 9.429 18.549 -3.773 1.00 0.00 C ATOM 1289 OG SER A 89 9.542 17.926 -5.045 1.00 0.00 O ATOM 0 H SER A 89 9.030 16.049 -3.978 1.00 0.00 H new ATOM 0 HA SER A 89 8.877 18.010 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.960 19.526 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.424 18.719 -3.362 1.00 0.00 H new ATOM 0 HG SER A 89 10.069 18.496 -5.643 1.00 0.00 H new ATOM 1295 N ARG A 90 6.384 17.624 -1.759 1.00 0.00 N ATOM 1296 CA ARG A 90 4.955 17.936 -1.620 1.00 0.00 C ATOM 1297 C ARG A 90 4.036 17.257 -2.656 1.00 0.00 C ATOM 1298 O ARG A 90 3.433 17.942 -3.490 1.00 0.00 O ATOM 1299 CB ARG A 90 4.733 19.451 -1.428 1.00 0.00 C ATOM 1300 CG ARG A 90 3.340 19.809 -0.854 1.00 0.00 C ATOM 1301 CD ARG A 90 2.616 20.905 -1.652 1.00 0.00 C ATOM 1302 NE ARG A 90 2.403 20.449 -3.033 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.847 21.035 -4.145 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.966 22.360 -4.217 1.00 0.00 N ATOM 1305 NH2 ARG A 90 3.189 20.261 -5.167 1.00 0.00 N ATOM 0 H ARG A 90 6.783 17.145 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 90 4.620 17.463 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.502 19.840 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.860 19.952 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.720 18.912 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.454 20.137 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.660 21.139 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.205 21.822 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 90 1.859 19.595 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.716 22.939 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.307 22.796 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.109 19.247 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.532 20.680 -6.031 1.00 0.00 H new ATOM 1319 N TRP A 91 3.964 15.927 -2.690 1.00 0.00 N ATOM 1320 CA TRP A 91 3.202 15.233 -3.731 1.00 0.00 C ATOM 1321 C TRP A 91 1.736 15.222 -3.281 1.00 0.00 C ATOM 1322 O TRP A 91 1.396 14.772 -2.186 1.00 0.00 O ATOM 1323 CB TRP A 91 3.728 13.806 -3.914 1.00 0.00 C ATOM 1324 CG TRP A 91 3.336 13.102 -5.182 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.106 12.652 -5.514 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.206 12.658 -6.263 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.164 11.954 -6.704 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.460 11.833 -7.152 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.573 12.823 -6.537 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.065 11.123 -8.202 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.206 12.081 -7.550 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.456 11.228 -8.381 1.00 0.00 C ATOM 0 H TRP A 91 4.419 15.312 -2.016 1.00 0.00 H new ATOM 0 HA TRP A 91 3.302 15.738 -4.692 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.816 13.835 -3.863 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.385 13.206 -3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.210 12.814 -4.934 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.350 11.576 -7.189 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.148 13.532 -5.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.472 10.507 -8.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.273 12.166 -7.691 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.947 10.656 -9.154 1.00 0.00 H new ATOM 1343 N SER A 92 0.841 15.740 -4.120 1.00 0.00 N ATOM 1344 CA SER A 92 -0.565 15.926 -3.777 1.00 0.00 C ATOM 1345 C SER A 92 -1.411 14.639 -3.868 1.00 0.00 C ATOM 1346 O SER A 92 -2.594 14.719 -4.193 1.00 0.00 O ATOM 1347 CB SER A 92 -1.119 17.011 -4.715 1.00 0.00 C ATOM 1348 OG SER A 92 -0.260 18.143 -4.774 1.00 0.00 O ATOM 0 H SER A 92 1.075 16.045 -5.065 1.00 0.00 H new ATOM 0 HA SER A 92 -0.629 16.222 -2.730 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.245 16.597 -5.716 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.106 17.320 -4.371 1.00 0.00 H new ATOM 0 HG SER A 92 -0.642 18.812 -5.380 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.850 13.460 -3.573 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.530 12.175 -3.534 1.00 0.00 C ATOM 1356 C ALA A 93 -0.597 11.195 -2.836 1.00 0.00 C ATOM 1357 O ALA A 93 0.487 10.906 -3.353 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.844 11.661 -4.942 1.00 0.00 C ATOM 0 H ALA A 93 0.141 13.381 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.478 12.279 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.352 10.699 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.488 12.375 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.916 11.542 -5.501 1.00 0.00 H new ATOM 1364 N SER A 94 -1.007 10.682 -1.685 1.00 0.00 N ATOM 1365 CA SER A 94 -0.240 9.687 -0.949 1.00 0.00 C ATOM 1366 C SER A 94 -1.131 8.510 -0.542 1.00 0.00 C ATOM 1367 O SER A 94 -2.307 8.448 -0.911 1.00 0.00 O ATOM 1368 CB SER A 94 0.430 10.360 0.256 1.00 0.00 C ATOM 1369 OG SER A 94 0.941 11.653 -0.034 1.00 0.00 O ATOM 0 H SER A 94 -1.883 10.945 -1.234 1.00 0.00 H new ATOM 0 HA SER A 94 0.543 9.275 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.292 10.436 1.069 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.243 9.727 0.611 1.00 0.00 H new ATOM 0 HG SER A 94 0.251 12.325 0.145 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.578 7.545 0.184 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.282 6.425 0.772 1.00 0.00 C ATOM 1377 C PHE A 95 -0.480 5.897 1.950 1.00 0.00 C ATOM 1378 O PHE A 95 0.647 6.322 2.193 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.575 5.331 -0.276 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.400 4.496 -0.755 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.383 4.925 -1.843 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.143 3.241 -0.167 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.399 4.096 -2.352 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.861 2.407 -0.686 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.629 2.830 -1.785 1.00 0.00 C ATOM 0 H PHE A 95 0.422 7.527 0.385 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.253 6.758 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.322 4.655 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.027 5.808 -1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.203 5.893 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.721 2.919 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.004 4.433 -3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.043 1.440 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.393 2.185 -2.192 1.00 0.00 H new ATOM 1395 N THR A 96 -1.081 4.991 2.705 1.00 0.00 N ATOM 1396 CA THR A 96 -0.467 4.269 3.796 1.00 0.00 C ATOM 1397 C THR A 96 -1.122 2.878 3.767 1.00 0.00 C ATOM 1398 O THR A 96 -2.279 2.745 3.360 1.00 0.00 O ATOM 1399 CB THR A 96 -0.642 5.102 5.077 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.303 4.717 6.048 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.074 5.076 5.620 1.00 0.00 C ATOM 0 H THR A 96 -2.057 4.730 2.563 1.00 0.00 H new ATOM 0 HA THR A 96 0.610 4.116 3.730 1.00 0.00 H new ATOM 0 HB THR A 96 -0.454 6.143 4.813 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.195 5.015 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.131 5.682 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.755 5.478 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.356 4.049 5.853 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.369 1.814 4.037 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.883 0.445 3.986 1.00 0.00 C ATOM 1411 C VAL A 97 -1.057 -0.129 5.401 1.00 0.00 C ATOM 1412 O VAL A 97 -0.492 0.417 6.350 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.047 -0.330 2.958 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.366 -0.670 3.410 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.725 -1.609 2.498 1.00 0.00 C ATOM 0 H VAL A 97 0.615 1.875 4.298 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.904 0.370 3.613 1.00 0.00 H new ATOM 0 HB VAL A 97 0.031 0.371 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.879 -1.217 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.910 0.249 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.322 -1.287 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.090 -2.117 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.890 -2.262 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.682 -1.368 2.036 1.00 0.00 H new ATOM 1425 N THR A 98 -1.848 -1.192 5.553 1.00 0.00 N ATOM 1426 CA THR A 98 -2.244 -1.829 6.808 1.00 0.00 C ATOM 1427 C THR A 98 -2.664 -3.284 6.540 1.00 0.00 C ATOM 1428 O THR A 98 -2.668 -3.734 5.389 1.00 0.00 O ATOM 1429 CB THR A 98 -3.485 -1.104 7.388 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.568 -1.098 6.471 1.00 0.00 O ATOM 1431 CG2 THR A 98 -3.243 0.335 7.834 1.00 0.00 C ATOM 0 H THR A 98 -2.257 -1.663 4.746 1.00 0.00 H new ATOM 0 HA THR A 98 -1.402 -1.784 7.499 1.00 0.00 H new ATOM 0 HB THR A 98 -3.724 -1.689 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.228 -1.233 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.170 0.756 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.481 0.351 8.613 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.905 0.928 6.984 1.00 0.00 H new ATOM 1439 N LEU A 99 -3.011 -4.002 7.610 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.582 -5.344 7.587 1.00 0.00 C ATOM 1441 C LEU A 99 -5.075 -5.145 7.852 1.00 0.00 C ATOM 1442 O LEU A 99 -5.449 -4.166 8.511 1.00 0.00 O ATOM 1443 CB LEU A 99 -3.002 -6.240 8.691 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.641 -6.846 8.335 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.043 -7.516 9.562 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.768 -7.888 7.214 1.00 0.00 C ATOM 0 H LEU A 99 -2.895 -3.644 8.558 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.365 -5.832 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.903 -5.657 9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.706 -7.046 8.901 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.996 -6.038 7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.075 -7.946 9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.914 -6.778 10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.711 -8.305 9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.784 -8.298 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.430 -8.691 7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.180 -7.415 6.322 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.918 -6.053 7.365 1.00 0.00 N ATOM 1459 CA GLU A 100 -7.355 -6.048 7.660 1.00 0.00 C ATOM 1460 C GLU A 100 -7.617 -6.151 9.166 1.00 0.00 C ATOM 1461 O GLU A 100 -8.722 -5.773 9.610 1.00 0.00 O ATOM 1462 CB GLU A 100 -8.036 -7.178 6.874 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.572 -7.251 6.961 1.00 0.00 C ATOM 1464 CD GLU A 100 -10.349 -6.227 6.116 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -10.427 -5.023 6.472 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -10.991 -6.665 5.128 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.761 -6.655 9.930 1.00 0.00 O ATOM 0 H GLU A 100 -5.627 -6.816 6.753 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.785 -5.098 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.759 -7.078 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.630 -8.128 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.885 -8.251 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.863 -7.126 8.004 1.00 0.00 H new