USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 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 87 ASN : amide:sc= 1.02 K(o=2,f=-12!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -163:sc= 0.983 (180deg=-0.457) USER MOD Set 2.1: A 64 ASN : amide:sc= -2.82! C(o=-1.2!,f=-4.3!) USER MOD Set 2.2: A 67 LYS NZ :NH3+ -171:sc= 1.66 (180deg=1.08) USER MOD Set 3.1: A 61 TYR OH : rot 50:sc= 1.88 USER MOD Set 3.2: A 65 LYS NZ :NH3+ 159:sc= 2.12 (180deg=-0.153) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 1.13 (180deg=0.58) USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= 0.737 (180deg=-2.58!) USER MOD Single : A 15 MET CE :methyl -133:sc= -0.231 (180deg=-1.76) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -0.0302 (180deg=-0.207) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.49! X(o=-1.5!,f=-2) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.1) USER MOD Single : A 47 THR OG1 : rot 169:sc= 1.23 USER MOD Single : A 48 HIS : no HD1:sc= -0.381 K(o=-0.38,f=-6!) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00781 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= 1.22 (180deg=1.06) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= 0.587 (180deg=-1.13!) USER MOD Single : A 72 ASN : amide:sc= -0.56 K(o=-0.56,f=-4.3!) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0177) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 0.989 (180deg=0.606) USER MOD Single : A 78 ASN : amide:sc= -0.0113! C(o=-0.011!,f=-11!) USER MOD Single : A 86 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 3.496 10.389 5.900 1.00 0.00 N ATOM 67 CA PHE A 5 3.407 8.987 5.633 1.00 0.00 C ATOM 68 C PHE A 5 4.724 8.366 5.995 1.00 0.00 C ATOM 69 O PHE A 5 5.771 8.771 5.488 1.00 0.00 O ATOM 70 CB PHE A 5 3.099 8.733 4.166 1.00 0.00 C ATOM 71 CG PHE A 5 1.755 9.210 3.700 1.00 0.00 C ATOM 72 CD1 PHE A 5 1.550 10.531 3.351 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.715 8.328 3.580 1.00 0.00 C ATOM 74 CE1 PHE A 5 0.327 10.953 2.891 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.517 8.742 3.123 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.711 10.053 2.773 1.00 0.00 C ATOM 0 HA PHE A 5 2.600 8.550 6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.867 9.216 3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.171 7.662 3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.360 11.239 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.862 7.292 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.178 11.988 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.329 8.035 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.673 10.380 2.406 1.00 0.00 H new ATOM 86 N LYS A 6 4.681 7.436 6.886 1.00 0.00 N ATOM 87 CA LYS A 6 5.854 6.797 7.403 1.00 0.00 C ATOM 88 C LYS A 6 5.706 5.307 7.192 1.00 0.00 C ATOM 89 O LYS A 6 4.576 4.833 7.016 1.00 0.00 O ATOM 90 CB LYS A 6 5.924 7.083 8.902 1.00 0.00 C ATOM 91 CG LYS A 6 5.850 8.567 9.234 1.00 0.00 C ATOM 92 CD LYS A 6 5.668 8.819 10.718 1.00 0.00 C ATOM 93 CE LYS A 6 4.382 8.175 11.265 1.00 0.00 C ATOM 94 NZ LYS A 6 3.176 8.527 10.470 1.00 0.00 N ATOM 0 H LYS A 6 3.811 7.087 7.288 1.00 0.00 H new ATOM 0 HA LYS A 6 6.754 7.161 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.107 6.564 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.853 6.674 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.762 9.058 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.022 9.018 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.528 8.425 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.641 9.893 10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.500 7.092 11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.235 8.490 12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.322 8.241 10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.155 9.554 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.207 8.033 9.555 1.00 0.00 H new ATOM 108 N PRO A 7 6.818 4.551 7.150 1.00 0.00 N ATOM 109 CA PRO A 7 6.765 3.092 7.086 1.00 0.00 C ATOM 110 C PRO A 7 5.871 2.542 8.196 1.00 0.00 C ATOM 111 O PRO A 7 6.146 2.731 9.384 1.00 0.00 O ATOM 112 CB PRO A 7 8.215 2.682 7.327 1.00 0.00 C ATOM 113 CG PRO A 7 9.011 3.821 6.806 1.00 0.00 C ATOM 114 CD PRO A 7 8.208 5.051 7.116 1.00 0.00 C ATOM 0 HA PRO A 7 6.359 2.718 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.409 2.513 8.386 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.458 1.756 6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.991 3.863 7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.180 3.723 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.500 5.492 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.340 5.820 6.355 1.00 0.00 H new ATOM 122 N GLY A 8 4.813 1.888 7.810 1.00 0.00 N ATOM 123 CA GLY A 8 3.867 1.394 8.758 1.00 0.00 C ATOM 124 C GLY A 8 2.503 2.030 8.607 1.00 0.00 C ATOM 125 O GLY A 8 1.505 1.428 9.011 1.00 0.00 O ATOM 0 H GLY A 8 4.586 1.685 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.774 0.314 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.239 1.577 9.766 1.00 0.00 H new ATOM 129 N ASP A 9 2.441 3.234 8.019 1.00 0.00 N ATOM 130 CA ASP A 9 1.144 3.888 7.782 1.00 0.00 C ATOM 131 C ASP A 9 0.327 3.082 6.792 1.00 0.00 C ATOM 132 O ASP A 9 0.787 2.771 5.672 1.00 0.00 O ATOM 133 CB ASP A 9 1.252 5.363 7.273 1.00 0.00 C ATOM 134 CG ASP A 9 1.505 6.427 8.350 1.00 0.00 C ATOM 135 OD1 ASP A 9 0.523 6.977 8.928 1.00 0.00 O ATOM 136 OD2 ASP A 9 2.663 6.803 8.578 1.00 0.00 O ATOM 0 H ASP A 9 3.253 3.765 7.705 1.00 0.00 H new ATOM 0 HA ASP A 9 0.654 3.927 8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.058 5.416 6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.329 5.615 6.750 1.00 0.00 H new ATOM 141 N LEU A 10 -0.853 2.710 7.211 1.00 0.00 N ATOM 142 CA LEU A 10 -1.775 1.996 6.372 1.00 0.00 C ATOM 143 C LEU A 10 -2.453 2.973 5.475 1.00 0.00 C ATOM 144 O LEU A 10 -2.980 4.010 5.938 1.00 0.00 O ATOM 145 CB LEU A 10 -2.792 1.241 7.211 1.00 0.00 C ATOM 146 CG LEU A 10 -2.234 0.149 8.106 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.361 -0.524 8.872 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.455 -0.863 7.274 1.00 0.00 C ATOM 0 H LEU A 10 -1.203 2.896 8.151 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.235 1.262 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.324 1.959 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.527 0.795 6.541 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.549 0.593 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.950 -1.306 9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.875 0.215 9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.067 -0.964 8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.059 -1.642 7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.117 -1.311 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.631 -0.360 6.767 1.00 0.00 H new ATOM 160 N ILE A 11 -2.456 2.686 4.214 1.00 0.00 N ATOM 161 CA ILE A 11 -2.943 3.611 3.251 1.00 0.00 C ATOM 162 C ILE A 11 -3.681 2.930 2.119 1.00 0.00 C ATOM 163 O ILE A 11 -3.943 1.730 2.130 1.00 0.00 O ATOM 164 CB ILE A 11 -1.773 4.376 2.602 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.751 3.366 2.098 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.145 5.356 3.573 1.00 0.00 C ATOM 167 CD1 ILE A 11 0.089 3.854 0.986 1.00 0.00 C ATOM 0 H ILE A 11 -2.121 1.804 3.826 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.618 4.275 3.791 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.147 4.964 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.104 3.077 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.275 2.467 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.323 5.878 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.894 6.079 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.765 4.816 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.789 3.073 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.545 4.115 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.644 4.735 1.309 1.00 0.00 H new ATOM 179 N PHE A 12 -3.999 3.731 1.165 1.00 0.00 N ATOM 180 CA PHE A 12 -4.556 3.352 -0.064 1.00 0.00 C ATOM 181 C PHE A 12 -3.722 3.981 -1.118 1.00 0.00 C ATOM 182 O PHE A 12 -3.431 5.181 -1.060 1.00 0.00 O ATOM 183 CB PHE A 12 -5.995 3.791 -0.182 1.00 0.00 C ATOM 184 CG PHE A 12 -6.960 2.868 0.509 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.111 2.894 1.878 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.714 1.972 -0.222 1.00 0.00 C ATOM 187 CE1 PHE A 12 -7.993 2.041 2.508 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.594 1.120 0.399 1.00 0.00 C ATOM 189 CZ PHE A 12 -8.734 1.153 1.768 1.00 0.00 C ATOM 0 H PHE A 12 -3.863 4.739 1.239 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.562 2.266 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.097 4.792 0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.261 3.859 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.532 3.591 2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.610 1.941 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.101 2.072 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.176 0.424 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.424 0.483 2.258 1.00 0.00 H new ATOM 199 N ALA A 13 -3.313 3.195 -2.029 1.00 0.00 N ATOM 200 CA ALA A 13 -2.420 3.599 -3.037 1.00 0.00 C ATOM 201 C ALA A 13 -3.121 3.688 -4.348 1.00 0.00 C ATOM 202 O ALA A 13 -3.812 2.767 -4.761 1.00 0.00 O ATOM 203 CB ALA A 13 -1.305 2.621 -3.101 1.00 0.00 C ATOM 0 H ALA A 13 -3.599 2.218 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.024 4.588 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.603 2.920 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.791 2.592 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.701 1.632 -3.331 1.00 0.00 H new ATOM 209 N LYS A 14 -2.961 4.793 -4.986 1.00 0.00 N ATOM 210 CA LYS A 14 -3.576 5.045 -6.222 1.00 0.00 C ATOM 211 C LYS A 14 -2.537 4.971 -7.352 1.00 0.00 C ATOM 212 O LYS A 14 -1.552 5.722 -7.351 1.00 0.00 O ATOM 213 CB LYS A 14 -4.222 6.434 -6.106 1.00 0.00 C ATOM 214 CG LYS A 14 -5.030 6.890 -7.282 1.00 0.00 C ATOM 215 CD LYS A 14 -4.185 7.234 -8.488 1.00 0.00 C ATOM 216 CE LYS A 14 -3.440 8.581 -8.390 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.254 8.530 -7.462 1.00 0.00 N ATOM 0 H LYS A 14 -2.382 5.561 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.337 4.303 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.865 6.440 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.433 7.165 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.738 6.107 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.616 7.764 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.454 6.440 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.825 7.252 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.105 8.878 -9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.132 9.349 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.504 9.153 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.541 8.847 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.897 7.555 -7.408 1.00 0.00 H new ATOM 231 N MET A 15 -2.799 4.123 -8.331 1.00 0.00 N ATOM 232 CA MET A 15 -1.951 3.977 -9.512 1.00 0.00 C ATOM 233 C MET A 15 -2.754 4.261 -10.756 1.00 0.00 C ATOM 234 O MET A 15 -3.973 4.199 -10.732 1.00 0.00 O ATOM 235 CB MET A 15 -1.338 2.586 -9.636 1.00 0.00 C ATOM 236 CG MET A 15 -0.414 2.214 -8.521 1.00 0.00 C ATOM 237 SD MET A 15 0.536 0.727 -8.879 1.00 0.00 S ATOM 238 CE MET A 15 -0.772 -0.488 -9.058 1.00 0.00 C ATOM 0 H MET A 15 -3.613 3.508 -8.333 1.00 0.00 H new ATOM 0 HA MET A 15 -1.136 4.692 -9.399 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.142 1.852 -9.685 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.793 2.526 -10.578 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.270 3.041 -8.329 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.992 2.061 -7.610 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.519 -1.382 -8.487 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.708 -0.072 -8.685 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.884 -0.749 -10.110 1.00 0.00 H new ATOM 248 N LYS A 16 -2.075 4.600 -11.829 1.00 0.00 N ATOM 249 CA LYS A 16 -2.737 4.870 -13.096 1.00 0.00 C ATOM 250 C LYS A 16 -3.412 3.594 -13.620 1.00 0.00 C ATOM 251 O LYS A 16 -2.744 2.612 -13.926 1.00 0.00 O ATOM 252 CB LYS A 16 -1.700 5.386 -14.115 1.00 0.00 C ATOM 253 CG LYS A 16 -2.226 5.572 -15.536 1.00 0.00 C ATOM 254 CD LYS A 16 -1.128 6.078 -16.464 1.00 0.00 C ATOM 255 CE LYS A 16 -1.596 6.144 -17.914 1.00 0.00 C ATOM 256 NZ LYS A 16 -1.924 4.794 -18.460 1.00 0.00 N ATOM 0 H LYS A 16 -1.060 4.697 -11.854 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.504 5.631 -12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.309 6.340 -13.761 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.862 4.689 -14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.615 4.625 -15.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.056 6.278 -15.531 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.807 7.068 -16.141 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.260 5.422 -16.392 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.475 6.785 -17.982 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.818 6.603 -18.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.006 4.849 -19.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.169 4.125 -18.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.826 4.467 -18.058 1.00 0.00 H new ATOM 270 N GLY A 17 -4.729 3.634 -13.724 1.00 0.00 N ATOM 271 CA GLY A 17 -5.479 2.488 -14.210 1.00 0.00 C ATOM 272 C GLY A 17 -5.999 1.637 -13.070 1.00 0.00 C ATOM 273 O GLY A 17 -6.697 0.627 -13.282 1.00 0.00 O ATOM 0 H GLY A 17 -5.299 4.444 -13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.315 2.832 -14.819 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.842 1.883 -14.855 1.00 0.00 H new ATOM 277 N TYR A 18 -5.657 2.030 -11.871 1.00 0.00 N ATOM 278 CA TYR A 18 -6.062 1.341 -10.688 1.00 0.00 C ATOM 279 C TYR A 18 -6.828 2.266 -9.778 1.00 0.00 C ATOM 280 O TYR A 18 -6.568 3.470 -9.743 1.00 0.00 O ATOM 281 CB TYR A 18 -4.844 0.785 -9.932 1.00 0.00 C ATOM 282 CG TYR A 18 -4.187 -0.406 -10.586 1.00 0.00 C ATOM 283 CD1 TYR A 18 -3.270 -0.260 -11.621 1.00 0.00 C ATOM 284 CD2 TYR A 18 -4.497 -1.683 -10.164 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.693 -1.367 -12.214 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.922 -2.786 -10.741 1.00 0.00 C ATOM 287 CZ TYR A 18 -3.025 -2.628 -11.761 1.00 0.00 C ATOM 288 OH TYR A 18 -2.485 -3.736 -12.351 1.00 0.00 O ATOM 0 H TYR A 18 -5.080 2.852 -11.693 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.702 0.512 -10.989 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.105 1.579 -9.828 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.155 0.504 -8.926 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.006 0.729 -11.965 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.208 -1.816 -9.362 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.989 -1.247 -13.024 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.177 -3.776 -10.391 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.825 -4.541 -11.908 1.00 0.00 H new ATOM 298 N PRO A 19 -7.807 1.733 -9.056 1.00 0.00 N ATOM 299 CA PRO A 19 -8.498 2.487 -8.037 1.00 0.00 C ATOM 300 C PRO A 19 -7.593 2.592 -6.818 1.00 0.00 C ATOM 301 O PRO A 19 -6.518 1.974 -6.795 1.00 0.00 O ATOM 302 CB PRO A 19 -9.730 1.627 -7.724 1.00 0.00 C ATOM 303 CG PRO A 19 -9.321 0.235 -8.059 1.00 0.00 C ATOM 304 CD PRO A 19 -8.310 0.347 -9.168 1.00 0.00 C ATOM 0 HA PRO A 19 -8.768 3.500 -8.336 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.016 1.713 -6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.590 1.939 -8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.891 -0.264 -7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.180 -0.357 -8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.506 -0.380 -9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.764 0.165 -10.142 1.00 0.00 H new ATOM 312 N HIS A 20 -7.975 3.393 -5.845 1.00 0.00 N ATOM 313 CA HIS A 20 -7.205 3.470 -4.619 1.00 0.00 C ATOM 314 C HIS A 20 -7.212 2.067 -3.965 1.00 0.00 C ATOM 315 O HIS A 20 -8.248 1.592 -3.521 1.00 0.00 O ATOM 316 CB HIS A 20 -7.809 4.509 -3.661 1.00 0.00 C ATOM 317 CG HIS A 20 -7.575 5.938 -4.054 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.301 6.622 -5.011 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.650 6.808 -3.604 1.00 0.00 C ATOM 320 CE1 HIS A 20 -7.788 7.854 -5.112 1.00 0.00 C ATOM 321 NE2 HIS A 20 -6.787 8.017 -4.279 1.00 0.00 N ATOM 0 H HIS A 20 -8.800 3.992 -5.876 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.184 3.782 -4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.883 4.337 -3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.395 4.348 -2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.917 6.600 -2.839 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.150 8.613 -5.789 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.224 8.858 -4.152 1.00 0.00 H new ATOM 329 N TRP A 21 -6.074 1.431 -3.956 1.00 0.00 N ATOM 330 CA TRP A 21 -5.923 0.040 -3.539 1.00 0.00 C ATOM 331 C TRP A 21 -5.329 -0.004 -2.133 1.00 0.00 C ATOM 332 O TRP A 21 -4.441 0.790 -1.836 1.00 0.00 O ATOM 333 CB TRP A 21 -4.942 -0.592 -4.535 1.00 0.00 C ATOM 334 CG TRP A 21 -4.822 -2.090 -4.542 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.272 -2.901 -3.587 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.200 -2.945 -5.619 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.311 -4.206 -4.006 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.871 -4.255 -5.252 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.796 -2.721 -6.863 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.113 -5.337 -6.084 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -6.037 -3.800 -7.688 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.694 -5.093 -7.295 1.00 0.00 C ATOM 0 H TRP A 21 -5.196 1.865 -4.243 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.877 -0.488 -3.525 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -5.230 -0.274 -5.537 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.953 -0.177 -4.341 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.868 -2.564 -2.644 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.976 -5.010 -3.474 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -6.063 -1.721 -7.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.850 -6.341 -5.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.498 -3.641 -8.652 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.892 -5.919 -7.962 1.00 0.00 H new ATOM 353 N PRO A 22 -5.806 -0.905 -1.242 1.00 0.00 N ATOM 354 CA PRO A 22 -5.248 -1.029 0.107 1.00 0.00 C ATOM 355 C PRO A 22 -3.755 -1.369 0.051 1.00 0.00 C ATOM 356 O PRO A 22 -3.360 -2.418 -0.487 1.00 0.00 O ATOM 357 CB PRO A 22 -6.016 -2.201 0.734 1.00 0.00 C ATOM 358 CG PRO A 22 -7.207 -2.440 -0.130 1.00 0.00 C ATOM 359 CD PRO A 22 -6.908 -1.858 -1.485 1.00 0.00 C ATOM 0 HA PRO A 22 -5.344 -0.102 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.390 -3.092 0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.318 -1.965 1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -7.415 -3.507 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.093 -1.973 0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.614 -2.632 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.781 -1.357 -1.904 1.00 0.00 H new ATOM 367 N ALA A 23 -2.933 -0.504 0.587 1.00 0.00 N ATOM 368 CA ALA A 23 -1.531 -0.687 0.547 1.00 0.00 C ATOM 369 C ALA A 23 -0.900 -0.214 1.838 1.00 0.00 C ATOM 370 O ALA A 23 -1.551 0.410 2.675 1.00 0.00 O ATOM 371 CB ALA A 23 -0.970 0.060 -0.624 1.00 0.00 C ATOM 0 H ALA A 23 -3.233 0.347 1.063 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.306 -1.748 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.111 -0.078 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.415 -0.319 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.197 1.121 -0.521 1.00 0.00 H new ATOM 377 N ARG A 24 0.323 -0.559 2.032 1.00 0.00 N ATOM 378 CA ARG A 24 1.055 -0.140 3.192 1.00 0.00 C ATOM 379 C ARG A 24 2.245 0.676 2.743 1.00 0.00 C ATOM 380 O ARG A 24 2.849 0.361 1.709 1.00 0.00 O ATOM 381 CB ARG A 24 1.570 -1.373 3.960 1.00 0.00 C ATOM 382 CG ARG A 24 2.306 -1.041 5.250 1.00 0.00 C ATOM 383 CD ARG A 24 2.998 -2.258 5.845 1.00 0.00 C ATOM 384 NE ARG A 24 3.654 -1.922 7.121 1.00 0.00 N ATOM 385 CZ ARG A 24 4.974 -2.037 7.370 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.805 -2.529 6.469 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.469 -1.659 8.543 1.00 0.00 N ATOM 0 H ARG A 24 0.856 -1.145 1.389 1.00 0.00 H new ATOM 0 HA ARG A 24 0.404 0.448 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.725 -2.021 4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.237 -1.940 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.045 -0.264 5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.600 -0.635 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.270 -3.053 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.738 -2.640 5.141 1.00 0.00 H new ATOM 0 HE ARG A 24 3.062 -1.575 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.452 -2.832 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.800 -2.606 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.850 -1.280 9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.468 -1.748 8.727 1.00 0.00 H new ATOM 401 N VAL A 25 2.552 1.747 3.454 1.00 0.00 N ATOM 402 CA VAL A 25 3.816 2.408 3.230 1.00 0.00 C ATOM 403 C VAL A 25 4.815 1.504 3.890 1.00 0.00 C ATOM 404 O VAL A 25 4.793 1.347 5.119 1.00 0.00 O ATOM 405 CB VAL A 25 3.900 3.811 3.874 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.261 4.444 3.588 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.790 4.703 3.362 1.00 0.00 C ATOM 0 H VAL A 25 1.959 2.165 4.171 1.00 0.00 H new ATOM 0 HA VAL A 25 3.979 2.569 2.164 1.00 0.00 H new ATOM 0 HB VAL A 25 3.782 3.701 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.307 5.432 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.049 3.815 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.399 4.538 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.868 5.685 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.876 4.807 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.825 4.260 3.608 1.00 0.00 H new ATOM 417 N ASP A 26 5.627 0.871 3.114 1.00 0.00 N ATOM 418 CA ASP A 26 6.463 -0.162 3.656 1.00 0.00 C ATOM 419 C ASP A 26 7.784 0.396 4.151 1.00 0.00 C ATOM 420 O ASP A 26 8.017 1.616 4.097 1.00 0.00 O ATOM 421 CB ASP A 26 6.637 -1.326 2.681 1.00 0.00 C ATOM 422 CG ASP A 26 6.813 -2.628 3.434 1.00 0.00 C ATOM 423 OD1 ASP A 26 5.799 -3.172 3.916 1.00 0.00 O ATOM 424 OD2 ASP A 26 7.949 -3.069 3.624 1.00 0.00 O ATOM 0 H ASP A 26 5.735 1.042 2.114 1.00 0.00 H new ATOM 0 HA ASP A 26 5.955 -0.574 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.768 -1.392 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.503 -1.148 2.044 1.00 0.00 H new ATOM 429 N GLU A 27 8.636 -0.458 4.616 1.00 0.00 N ATOM 430 CA GLU A 27 9.836 -0.047 5.282 1.00 0.00 C ATOM 431 C GLU A 27 11.080 -0.213 4.429 1.00 0.00 C ATOM 432 O GLU A 27 11.210 -1.151 3.648 1.00 0.00 O ATOM 433 CB GLU A 27 9.919 -0.704 6.673 1.00 0.00 C ATOM 434 CG GLU A 27 9.674 -2.208 6.668 1.00 0.00 C ATOM 435 CD GLU A 27 9.152 -2.717 7.995 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.985 -2.405 8.346 1.00 0.00 O ATOM 437 OE2 GLU A 27 9.818 -3.504 8.679 1.00 0.00 O ATOM 0 H GLU A 27 8.521 -1.469 4.546 1.00 0.00 H new ATOM 0 HA GLU A 27 9.789 1.030 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.904 -0.509 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.190 -0.230 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.959 -2.453 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.604 -2.723 6.426 1.00 0.00 H new ATOM 597 N LYS A 39 9.071 9.533 -3.814 1.00 0.00 N ATOM 598 CA LYS A 39 7.932 8.696 -3.697 1.00 0.00 C ATOM 599 C LYS A 39 8.278 7.637 -2.665 1.00 0.00 C ATOM 600 O LYS A 39 9.457 7.299 -2.495 1.00 0.00 O ATOM 601 CB LYS A 39 7.561 8.063 -5.046 1.00 0.00 C ATOM 602 CG LYS A 39 7.480 9.061 -6.219 1.00 0.00 C ATOM 603 CD LYS A 39 6.894 8.419 -7.473 1.00 0.00 C ATOM 604 CE LYS A 39 5.367 8.416 -7.446 1.00 0.00 C ATOM 605 NZ LYS A 39 4.752 9.775 -7.599 1.00 0.00 N ATOM 0 HA LYS A 39 7.059 9.270 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.297 7.296 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.599 7.561 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.867 9.914 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.476 9.444 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.241 8.959 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.258 7.396 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.001 7.771 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.031 7.980 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.716 9.694 -7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.085 10.395 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.028 10.180 -8.516 1.00 0.00 H new ATOM 619 N LEU A 40 7.292 7.138 -2.003 1.00 0.00 N ATOM 620 CA LEU A 40 7.470 6.220 -0.897 1.00 0.00 C ATOM 621 C LEU A 40 7.277 4.785 -1.364 1.00 0.00 C ATOM 622 O LEU A 40 6.589 4.553 -2.373 1.00 0.00 O ATOM 623 CB LEU A 40 6.442 6.559 0.185 1.00 0.00 C ATOM 624 CG LEU A 40 6.536 7.968 0.781 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.333 8.249 1.634 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.798 8.124 1.616 1.00 0.00 C ATOM 0 H LEU A 40 6.316 7.351 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 40 8.480 6.316 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.445 6.429 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.543 5.836 0.994 1.00 0.00 H new ATOM 0 HG LEU A 40 6.573 8.680 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.410 9.253 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.431 8.178 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.283 7.521 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.840 9.133 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.787 7.400 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.673 7.951 0.989 1.00 0.00 H new ATOM 638 N PRO A 41 7.900 3.801 -0.674 1.00 0.00 N ATOM 639 CA PRO A 41 7.711 2.393 -1.004 1.00 0.00 C ATOM 640 C PRO A 41 6.306 1.950 -0.597 1.00 0.00 C ATOM 641 O PRO A 41 5.909 2.059 0.572 1.00 0.00 O ATOM 642 CB PRO A 41 8.773 1.680 -0.145 1.00 0.00 C ATOM 643 CG PRO A 41 8.997 2.595 1.012 1.00 0.00 C ATOM 644 CD PRO A 41 8.828 3.987 0.471 1.00 0.00 C ATOM 0 HA PRO A 41 7.813 2.177 -2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.424 0.701 0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.693 1.518 -0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.283 2.397 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.993 2.457 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.412 4.661 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.780 4.412 0.152 1.00 0.00 H new ATOM 652 N ILE A 42 5.564 1.465 -1.536 1.00 0.00 N ATOM 653 CA ILE A 42 4.203 1.085 -1.292 1.00 0.00 C ATOM 654 C ILE A 42 4.036 -0.393 -1.539 1.00 0.00 C ATOM 655 O ILE A 42 4.270 -0.873 -2.639 1.00 0.00 O ATOM 656 CB ILE A 42 3.226 1.856 -2.216 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.446 3.381 -2.137 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.781 1.504 -1.891 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.316 3.985 -0.750 1.00 0.00 C ATOM 0 H ILE A 42 5.879 1.319 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 42 3.971 1.328 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 42 3.436 1.547 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.440 3.608 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.729 3.869 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.114 2.057 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.627 0.434 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.566 1.768 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.489 5.060 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.314 3.797 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.052 3.532 -0.086 1.00 0.00 H new ATOM 671 N PHE A 43 3.641 -1.086 -0.538 1.00 0.00 N ATOM 672 CA PHE A 43 3.414 -2.501 -0.624 1.00 0.00 C ATOM 673 C PHE A 43 1.937 -2.744 -0.821 1.00 0.00 C ATOM 674 O PHE A 43 1.124 -2.358 0.025 1.00 0.00 O ATOM 675 CB PHE A 43 3.906 -3.214 0.648 1.00 0.00 C ATOM 676 CG PHE A 43 3.678 -4.704 0.634 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.569 -5.542 -0.003 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.563 -5.261 1.251 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.360 -6.901 -0.027 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.352 -6.622 1.227 1.00 0.00 C ATOM 681 CZ PHE A 43 3.250 -7.439 0.589 1.00 0.00 C ATOM 0 H PHE A 43 3.460 -0.691 0.385 1.00 0.00 H new ATOM 0 HA PHE A 43 3.973 -2.905 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.971 -3.019 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.399 -2.786 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.440 -5.127 -0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.855 -4.619 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.065 -7.547 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.483 -7.044 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.087 -8.506 0.569 1.00 0.00 H new ATOM 691 N PHE A 44 1.591 -3.329 -1.929 1.00 0.00 N ATOM 692 CA PHE A 44 0.194 -3.640 -2.212 1.00 0.00 C ATOM 693 C PHE A 44 -0.264 -4.915 -1.548 1.00 0.00 C ATOM 694 O PHE A 44 0.375 -5.967 -1.663 1.00 0.00 O ATOM 695 CB PHE A 44 -0.096 -3.705 -3.702 1.00 0.00 C ATOM 696 CG PHE A 44 -0.086 -2.377 -4.360 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.188 -1.556 -4.274 1.00 0.00 C ATOM 698 CD2 PHE A 44 1.011 -1.943 -5.054 1.00 0.00 C ATOM 699 CE1 PHE A 44 -1.196 -0.325 -4.871 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.005 -0.713 -5.654 1.00 0.00 C ATOM 701 CZ PHE A 44 -0.098 0.098 -5.560 1.00 0.00 C ATOM 0 H PHE A 44 2.246 -3.606 -2.660 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.374 -2.813 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.644 -4.346 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.069 -4.172 -3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.058 -1.888 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.885 -2.574 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.068 0.308 -4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.872 -0.379 -6.204 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.096 1.070 -6.031 1.00 0.00 H new ATOM 711 N PHE A 45 -1.373 -4.826 -0.870 1.00 0.00 N ATOM 712 CA PHE A 45 -1.963 -5.963 -0.229 1.00 0.00 C ATOM 713 C PHE A 45 -2.736 -6.786 -1.248 1.00 0.00 C ATOM 714 O PHE A 45 -3.201 -6.255 -2.260 1.00 0.00 O ATOM 715 CB PHE A 45 -2.903 -5.528 0.886 1.00 0.00 C ATOM 716 CG PHE A 45 -2.228 -4.972 2.087 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.628 -5.811 2.983 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.217 -3.624 2.335 1.00 0.00 C ATOM 719 CE1 PHE A 45 -1.028 -5.327 4.106 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.608 -3.123 3.463 1.00 0.00 C ATOM 721 CZ PHE A 45 -1.011 -3.978 4.353 1.00 0.00 C ATOM 0 H PHE A 45 -1.894 -3.958 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.164 -6.566 0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.589 -4.778 0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.506 -6.384 1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.629 -6.875 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.691 -2.948 1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.564 -6.008 4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.600 -2.059 3.647 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.532 -3.593 5.241 1.00 0.00 H new ATOM 731 N GLY A 46 -2.839 -8.072 -0.995 1.00 0.00 N ATOM 732 CA GLY A 46 -3.583 -9.001 -1.835 1.00 0.00 C ATOM 733 C GLY A 46 -2.858 -9.419 -3.094 1.00 0.00 C ATOM 734 O GLY A 46 -3.167 -10.456 -3.667 1.00 0.00 O ATOM 0 H GLY A 46 -2.402 -8.515 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.817 -9.892 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.532 -8.542 -2.112 1.00 0.00 H new ATOM 738 N THR A 47 -1.892 -8.647 -3.520 1.00 0.00 N ATOM 739 CA THR A 47 -1.076 -9.040 -4.641 1.00 0.00 C ATOM 740 C THR A 47 0.377 -9.151 -4.208 1.00 0.00 C ATOM 741 O THR A 47 1.162 -9.883 -4.802 1.00 0.00 O ATOM 742 CB THR A 47 -1.205 -8.026 -5.792 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.945 -6.700 -5.300 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.594 -8.077 -6.413 1.00 0.00 C ATOM 0 H THR A 47 -1.651 -7.745 -3.110 1.00 0.00 H new ATOM 0 HA THR A 47 -1.422 -10.010 -4.997 1.00 0.00 H new ATOM 0 HB THR A 47 -0.476 -8.285 -6.560 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.846 -6.084 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.657 -7.351 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.780 -9.076 -6.806 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.340 -7.841 -5.655 1.00 0.00 H new ATOM 752 N HIS A 48 0.708 -8.447 -3.107 1.00 0.00 N ATOM 753 CA HIS A 48 2.054 -8.437 -2.514 1.00 0.00 C ATOM 754 C HIS A 48 3.072 -7.751 -3.407 1.00 0.00 C ATOM 755 O HIS A 48 4.280 -7.947 -3.260 1.00 0.00 O ATOM 756 CB HIS A 48 2.520 -9.840 -2.064 1.00 0.00 C ATOM 757 CG HIS A 48 1.876 -10.308 -0.788 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.597 -10.728 0.308 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.577 -10.424 -0.435 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.767 -11.084 1.272 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.543 -10.909 0.846 1.00 0.00 N ATOM 0 H HIS A 48 0.040 -7.865 -2.602 1.00 0.00 H new ATOM 0 HA HIS A 48 1.980 -7.837 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.302 -10.557 -2.855 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.602 -9.829 -1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.277 -10.180 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.051 -11.456 2.245 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.303 -11.103 1.382 1.00 0.00 H new ATOM 770 N GLU A 49 2.574 -6.900 -4.277 1.00 0.00 N ATOM 771 CA GLU A 49 3.393 -6.119 -5.172 1.00 0.00 C ATOM 772 C GLU A 49 3.986 -4.948 -4.416 1.00 0.00 C ATOM 773 O GLU A 49 3.603 -4.663 -3.279 1.00 0.00 O ATOM 774 CB GLU A 49 2.538 -5.580 -6.300 1.00 0.00 C ATOM 775 CG GLU A 49 1.906 -6.641 -7.165 1.00 0.00 C ATOM 776 CD GLU A 49 0.904 -6.051 -8.117 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.212 -5.722 -7.657 1.00 0.00 O ATOM 778 OE2 GLU A 49 1.218 -5.919 -9.308 1.00 0.00 O ATOM 0 H GLU A 49 1.574 -6.730 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 49 4.187 -6.749 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.750 -4.957 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.152 -4.934 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.681 -7.162 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.417 -7.383 -6.534 1.00 0.00 H new ATOM 785 N THR A 50 4.908 -4.275 -5.014 1.00 0.00 N ATOM 786 CA THR A 50 5.479 -3.122 -4.408 1.00 0.00 C ATOM 787 C THR A 50 5.669 -2.058 -5.468 1.00 0.00 C ATOM 788 O THR A 50 6.076 -2.349 -6.590 1.00 0.00 O ATOM 789 CB THR A 50 6.815 -3.433 -3.731 1.00 0.00 C ATOM 790 OG1 THR A 50 6.692 -4.658 -2.987 1.00 0.00 O ATOM 791 CG2 THR A 50 7.188 -2.320 -2.763 1.00 0.00 C ATOM 0 H THR A 50 5.286 -4.507 -5.933 1.00 0.00 H new ATOM 0 HA THR A 50 4.801 -2.769 -3.632 1.00 0.00 H new ATOM 0 HB THR A 50 7.585 -3.523 -4.498 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.546 -4.864 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.141 -2.555 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.275 -1.379 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.415 -2.228 -2.000 1.00 0.00 H new ATOM 799 N ALA A 51 5.352 -0.871 -5.109 1.00 0.00 N ATOM 800 CA ALA A 51 5.397 0.267 -5.994 1.00 0.00 C ATOM 801 C ALA A 51 5.963 1.472 -5.282 1.00 0.00 C ATOM 802 O ALA A 51 6.325 1.392 -4.111 1.00 0.00 O ATOM 803 CB ALA A 51 4.005 0.581 -6.462 1.00 0.00 C ATOM 0 H ALA A 51 5.042 -0.640 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 51 6.037 0.027 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.032 1.441 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.597 -0.279 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.375 0.810 -5.602 1.00 0.00 H new ATOM 809 N PHE A 52 6.040 2.571 -5.998 1.00 0.00 N ATOM 810 CA PHE A 52 6.513 3.831 -5.480 1.00 0.00 C ATOM 811 C PHE A 52 5.551 4.908 -5.850 1.00 0.00 C ATOM 812 O PHE A 52 5.418 5.270 -7.020 1.00 0.00 O ATOM 813 CB PHE A 52 7.911 4.154 -5.995 1.00 0.00 C ATOM 814 CG PHE A 52 8.978 3.252 -5.416 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.308 2.046 -6.020 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.630 3.605 -4.244 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.265 1.217 -5.468 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.590 2.782 -3.690 1.00 0.00 C ATOM 819 CZ PHE A 52 10.907 1.586 -4.303 1.00 0.00 C ATOM 0 H PHE A 52 5.768 2.612 -6.980 1.00 0.00 H new ATOM 0 HA PHE A 52 6.578 3.761 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.921 4.068 -7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.150 5.190 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.810 1.753 -6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.383 4.537 -3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.511 0.281 -5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.092 3.073 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.657 0.940 -3.871 1.00 0.00 H new ATOM 829 N LEU A 53 4.863 5.402 -4.871 1.00 0.00 N ATOM 830 CA LEU A 53 3.879 6.422 -5.063 1.00 0.00 C ATOM 831 C LEU A 53 4.174 7.571 -4.136 1.00 0.00 C ATOM 832 O LEU A 53 4.797 7.376 -3.096 1.00 0.00 O ATOM 833 CB LEU A 53 2.485 5.868 -4.836 1.00 0.00 C ATOM 834 CG LEU A 53 2.031 4.794 -5.829 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.732 4.215 -5.383 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.887 5.369 -7.238 1.00 0.00 C ATOM 0 H LEU A 53 4.969 5.105 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 53 3.919 6.782 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.438 5.451 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.775 6.694 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 53 2.790 4.012 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.412 3.451 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.853 3.767 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.020 5.003 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.564 4.583 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.148 6.170 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.847 5.765 -7.569 1.00 0.00 H new ATOM 848 N GLY A 54 3.780 8.766 -4.515 1.00 0.00 N ATOM 849 CA GLY A 54 4.073 9.909 -3.709 1.00 0.00 C ATOM 850 C GLY A 54 3.100 10.017 -2.576 1.00 0.00 C ATOM 851 O GLY A 54 2.079 9.357 -2.597 1.00 0.00 O ATOM 0 H GLY A 54 3.261 8.962 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.088 9.835 -3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.031 10.811 -4.319 1.00 0.00 H new ATOM 855 N PRO A 55 3.355 10.873 -1.592 1.00 0.00 N ATOM 856 CA PRO A 55 2.471 11.018 -0.428 1.00 0.00 C ATOM 857 C PRO A 55 1.090 11.571 -0.815 1.00 0.00 C ATOM 858 O PRO A 55 0.165 11.570 -0.037 1.00 0.00 O ATOM 859 CB PRO A 55 3.222 12.003 0.477 1.00 0.00 C ATOM 860 CG PRO A 55 4.149 12.734 -0.436 1.00 0.00 C ATOM 861 CD PRO A 55 4.532 11.753 -1.507 1.00 0.00 C ATOM 0 HA PRO A 55 2.267 10.062 0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.534 12.688 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.770 11.480 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.664 13.611 -0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.028 13.088 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.732 12.250 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.432 11.198 -1.242 1.00 0.00 H new ATOM 869 N LYS A 56 1.005 12.166 -1.967 1.00 0.00 N ATOM 870 CA LYS A 56 -0.264 12.608 -2.501 1.00 0.00 C ATOM 871 C LYS A 56 -0.845 11.655 -3.526 1.00 0.00 C ATOM 872 O LYS A 56 -1.899 11.896 -4.088 1.00 0.00 O ATOM 873 CB LYS A 56 -0.141 14.023 -2.938 1.00 0.00 C ATOM 874 CG LYS A 56 0.105 14.862 -1.715 1.00 0.00 C ATOM 875 CD LYS A 56 -1.211 15.195 -0.989 1.00 0.00 C ATOM 876 CE LYS A 56 -1.098 15.127 0.546 1.00 0.00 C ATOM 877 NZ LYS A 56 -1.123 13.719 1.073 1.00 0.00 N ATOM 0 H LYS A 56 1.806 12.362 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.019 12.585 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.678 14.134 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.049 14.346 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.773 14.332 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.609 15.786 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.534 16.195 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.985 14.502 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.172 15.610 0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.918 15.691 0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.715 13.699 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.105 13.379 1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.566 13.104 0.446 1.00 0.00 H new ATOM 891 N ASP A 57 -0.144 10.570 -3.741 1.00 0.00 N ATOM 892 CA ASP A 57 -0.631 9.486 -4.596 1.00 0.00 C ATOM 893 C ASP A 57 -1.310 8.470 -3.734 1.00 0.00 C ATOM 894 O ASP A 57 -1.975 7.549 -4.228 1.00 0.00 O ATOM 895 CB ASP A 57 0.492 8.759 -5.357 1.00 0.00 C ATOM 896 CG ASP A 57 1.014 9.462 -6.576 1.00 0.00 C ATOM 897 OD1 ASP A 57 0.211 9.665 -7.513 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.272 9.729 -6.645 1.00 0.00 O ATOM 0 H ASP A 57 0.777 10.402 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.300 9.938 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.323 8.595 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.126 7.777 -5.656 1.00 0.00 H new ATOM 903 N ILE A 58 -1.109 8.627 -2.451 1.00 0.00 N ATOM 904 CA ILE A 58 -1.605 7.738 -1.454 1.00 0.00 C ATOM 905 C ILE A 58 -2.400 8.512 -0.433 1.00 0.00 C ATOM 906 O ILE A 58 -2.159 9.708 -0.210 1.00 0.00 O ATOM 907 CB ILE A 58 -0.440 7.007 -0.755 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.553 8.010 -0.170 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.253 6.080 -1.720 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.772 7.388 0.447 1.00 0.00 C ATOM 0 H ILE A 58 -0.576 9.407 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.247 6.999 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.848 6.414 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.868 8.693 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.044 8.609 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.072 5.572 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.458 5.341 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.647 6.655 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.422 8.171 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.471 6.728 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.309 6.813 -0.308 1.00 0.00 H new ATOM 922 N PHE A 59 -3.342 7.848 0.159 1.00 0.00 N ATOM 923 CA PHE A 59 -4.212 8.433 1.150 1.00 0.00 C ATOM 924 C PHE A 59 -4.403 7.434 2.285 1.00 0.00 C ATOM 925 O PHE A 59 -4.372 6.238 2.047 1.00 0.00 O ATOM 926 CB PHE A 59 -5.560 8.856 0.531 1.00 0.00 C ATOM 927 CG PHE A 59 -5.460 9.957 -0.498 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.236 9.662 -1.832 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.580 11.285 -0.123 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.133 10.658 -2.773 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.477 12.297 -1.063 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.252 11.981 -2.392 1.00 0.00 C ATOM 0 H PHE A 59 -3.538 6.865 -0.031 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.755 9.340 1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.022 7.984 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.226 9.182 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.141 8.631 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.756 11.534 0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.959 10.407 -3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.572 13.329 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.170 12.766 -3.129 1.00 0.00 H new ATOM 942 N PRO A 60 -4.571 7.899 3.532 1.00 0.00 N ATOM 943 CA PRO A 60 -4.646 7.028 4.711 1.00 0.00 C ATOM 944 C PRO A 60 -5.834 6.072 4.726 1.00 0.00 C ATOM 945 O PRO A 60 -6.964 6.424 4.354 1.00 0.00 O ATOM 946 CB PRO A 60 -4.733 8.005 5.886 1.00 0.00 C ATOM 947 CG PRO A 60 -5.258 9.258 5.296 1.00 0.00 C ATOM 948 CD PRO A 60 -4.721 9.318 3.895 1.00 0.00 C ATOM 0 HA PRO A 60 -3.783 6.363 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.394 7.628 6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.756 8.162 6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.348 9.261 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.937 10.125 5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.406 9.835 3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.770 9.848 3.851 1.00 0.00 H new ATOM 956 N TYR A 61 -5.559 4.873 5.194 1.00 0.00 N ATOM 957 CA TYR A 61 -6.532 3.801 5.349 1.00 0.00 C ATOM 958 C TYR A 61 -7.706 4.225 6.209 1.00 0.00 C ATOM 959 O TYR A 61 -8.824 3.823 5.962 1.00 0.00 O ATOM 960 CB TYR A 61 -5.816 2.584 5.947 1.00 0.00 C ATOM 961 CG TYR A 61 -6.681 1.492 6.527 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.343 0.578 5.725 1.00 0.00 C ATOM 963 CD2 TYR A 61 -6.803 1.363 7.902 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.099 -0.425 6.276 1.00 0.00 C ATOM 965 CE2 TYR A 61 -7.557 0.369 8.456 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.198 -0.521 7.644 1.00 0.00 C ATOM 967 OH TYR A 61 -8.939 -1.506 8.199 1.00 0.00 O ATOM 0 H TYR A 61 -4.620 4.604 5.489 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.946 3.546 4.373 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.192 2.144 5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.147 2.937 6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.263 0.656 4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.292 2.062 8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.612 -1.133 5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.646 0.288 9.529 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.686 -2.367 7.805 1.00 0.00 H new ATOM 977 N SER A 62 -7.442 5.069 7.174 1.00 0.00 N ATOM 978 CA SER A 62 -8.456 5.522 8.106 1.00 0.00 C ATOM 979 C SER A 62 -9.609 6.242 7.381 1.00 0.00 C ATOM 980 O SER A 62 -10.766 6.015 7.697 1.00 0.00 O ATOM 981 CB SER A 62 -7.802 6.423 9.132 1.00 0.00 C ATOM 982 OG SER A 62 -6.582 5.834 9.584 1.00 0.00 O ATOM 0 H SER A 62 -6.517 5.465 7.340 1.00 0.00 H new ATOM 0 HA SER A 62 -8.896 4.660 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.604 7.402 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.476 6.579 9.975 1.00 0.00 H new ATOM 0 HG SER A 62 -6.161 6.421 10.246 1.00 0.00 H new ATOM 988 N GLU A 63 -9.288 7.084 6.399 1.00 0.00 N ATOM 989 CA GLU A 63 -10.344 7.733 5.633 1.00 0.00 C ATOM 990 C GLU A 63 -10.918 6.744 4.681 1.00 0.00 C ATOM 991 O GLU A 63 -12.125 6.501 4.602 1.00 0.00 O ATOM 992 CB GLU A 63 -9.819 8.765 4.658 1.00 0.00 C ATOM 993 CG GLU A 63 -9.152 10.011 5.089 1.00 0.00 C ATOM 994 CD GLU A 63 -8.721 10.706 3.807 1.00 0.00 C ATOM 995 OE1 GLU A 63 -9.626 11.100 3.001 1.00 0.00 O ATOM 996 OE2 GLU A 63 -7.522 10.744 3.519 1.00 0.00 O ATOM 0 H GLU A 63 -8.336 7.326 6.123 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.018 8.154 6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.115 8.246 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.665 9.065 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.830 10.639 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.294 9.797 5.727 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.007 6.148 3.960 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.320 5.476 2.755 1.00 0.00 C ATOM 1005 C ASN A 64 -10.860 4.123 2.952 1.00 0.00 C ATOM 1006 O ASN A 64 -11.179 3.470 2.000 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.146 5.526 1.770 1.00 0.00 C ATOM 1008 CG ASN A 64 -8.792 6.958 1.368 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.309 7.497 0.399 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -7.939 7.591 2.119 1.00 0.00 N ATOM 0 H ASN A 64 -9.018 6.122 4.207 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.144 6.025 2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.275 5.051 2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.397 4.951 0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.689 8.556 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.520 7.122 2.922 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.036 3.732 4.188 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.628 2.460 4.481 1.00 0.00 C ATOM 1019 C LYS A 65 -13.104 2.499 4.078 1.00 0.00 C ATOM 1020 O LYS A 65 -13.648 1.542 3.564 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.461 2.108 5.957 1.00 0.00 C ATOM 1022 CG LYS A 65 -11.987 0.741 6.329 1.00 0.00 C ATOM 1023 CD LYS A 65 -11.835 0.458 7.813 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.300 -0.961 8.168 1.00 0.00 C ATOM 1025 NZ LYS A 65 -11.502 -2.005 7.471 1.00 0.00 N ATOM 0 H LYS A 65 -10.776 4.281 5.007 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.123 1.680 3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.403 2.161 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.973 2.859 6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.039 0.670 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.455 -0.020 5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.792 0.583 8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.413 1.185 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.224 -1.107 9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.352 -1.074 7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.590 -2.907 7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.855 -2.121 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.503 -1.718 7.444 1.00 0.00 H new ATOM 1039 N GLU A 66 -13.729 3.625 4.294 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.093 3.809 3.863 1.00 0.00 C ATOM 1041 C GLU A 66 -15.184 4.153 2.411 1.00 0.00 C ATOM 1042 O GLU A 66 -16.085 3.689 1.707 1.00 0.00 O ATOM 1043 CB GLU A 66 -15.794 4.860 4.684 1.00 0.00 C ATOM 1044 CG GLU A 66 -16.060 4.394 6.068 1.00 0.00 C ATOM 1045 CD GLU A 66 -16.782 3.058 6.030 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -17.947 3.017 5.563 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -16.169 2.029 6.337 1.00 0.00 O ATOM 0 H GLU A 66 -13.317 4.430 4.766 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.594 2.853 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.184 5.763 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.735 5.128 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.122 4.296 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.664 5.129 6.600 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.233 4.938 1.980 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.197 5.498 0.641 1.00 0.00 C ATOM 1056 C LYS A 67 -13.893 4.427 -0.394 1.00 0.00 C ATOM 1057 O LYS A 67 -14.661 4.206 -1.316 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.113 6.584 0.586 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.192 7.572 1.737 1.00 0.00 C ATOM 1060 CD LYS A 67 -11.988 8.543 1.788 1.00 0.00 C ATOM 1061 CE LYS A 67 -11.798 9.448 0.585 1.00 0.00 C ATOM 1062 NZ LYS A 67 -10.480 10.163 0.685 1.00 0.00 N ATOM 0 H LYS A 67 -13.440 5.217 2.558 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.175 5.923 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.132 6.109 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.199 7.126 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.113 8.149 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.248 7.022 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.092 9.170 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.080 7.954 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.834 8.860 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.611 10.172 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.422 10.890 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.399 10.613 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.705 9.481 0.561 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.773 3.767 -0.219 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.303 2.789 -1.200 1.00 0.00 C ATOM 1078 C TYR A 68 -12.007 1.451 -0.544 1.00 0.00 C ATOM 1079 O TYR A 68 -11.508 0.540 -1.176 1.00 0.00 O ATOM 1080 CB TYR A 68 -11.040 3.309 -1.904 1.00 0.00 C ATOM 1081 CG TYR A 68 -11.203 4.685 -2.502 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.873 4.869 -3.696 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.696 5.798 -1.858 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -12.035 6.132 -4.231 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.846 7.058 -2.373 1.00 0.00 C ATOM 1086 CZ TYR A 68 -11.520 7.226 -3.561 1.00 0.00 C ATOM 1087 OH TYR A 68 -11.677 8.480 -4.083 1.00 0.00 O ATOM 0 H TYR A 68 -12.163 3.882 0.590 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.096 2.645 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.218 3.328 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.760 2.610 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.276 4.014 -4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.168 5.671 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.560 6.264 -5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.439 7.912 -1.852 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.258 9.137 -3.489 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.347 1.335 0.715 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.100 0.123 1.461 1.00 0.00 C ATOM 1099 C GLY A 69 -13.282 -0.792 1.390 1.00 0.00 C ATOM 1100 O GLY A 69 -13.684 -1.394 2.387 1.00 0.00 O ATOM 0 H GLY A 69 -12.801 2.074 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.219 -0.381 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.885 0.368 2.501 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.854 -0.877 0.227 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.024 -1.666 -0.002 1.00 0.00 C ATOM 1106 C LYS A 70 -14.753 -2.559 -1.201 1.00 0.00 C ATOM 1107 O LYS A 70 -13.944 -2.194 -2.042 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.254 -0.746 -0.226 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.530 0.216 0.944 1.00 0.00 C ATOM 1110 CD LYS A 70 -16.890 -0.527 2.237 1.00 0.00 C ATOM 1111 CE LYS A 70 -16.813 0.382 3.475 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.683 1.579 3.384 1.00 0.00 N ATOM 0 H LYS A 70 -13.514 -0.391 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.253 -2.289 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.100 -0.164 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.135 -1.366 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.650 0.836 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.345 0.888 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.897 -0.934 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.214 -1.372 2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.092 -0.194 4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.781 0.703 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.936 1.898 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.176 2.340 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.548 1.340 2.859 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.389 -3.752 -1.264 1.00 0.00 N ATOM 1127 CA PRO A 71 -15.160 -4.743 -2.328 1.00 0.00 C ATOM 1128 C PRO A 71 -15.200 -4.185 -3.736 1.00 0.00 C ATOM 1129 O PRO A 71 -15.958 -3.252 -4.049 1.00 0.00 O ATOM 1130 CB PRO A 71 -16.296 -5.715 -2.178 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.721 -5.619 -0.757 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.377 -4.227 -0.293 1.00 0.00 C ATOM 0 HA PRO A 71 -14.161 -5.163 -2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.117 -5.465 -2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.980 -6.728 -2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.791 -5.806 -0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.211 -6.366 -0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.258 -3.585 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.969 -4.235 0.718 1.00 0.00 H new ATOM 1140 N ASN A 72 -14.426 -4.785 -4.588 1.00 0.00 N ATOM 1141 CA ASN A 72 -14.349 -4.344 -5.948 1.00 0.00 C ATOM 1142 C ASN A 72 -14.278 -5.543 -6.878 1.00 0.00 C ATOM 1143 O ASN A 72 -14.369 -6.686 -6.436 1.00 0.00 O ATOM 1144 CB ASN A 72 -13.126 -3.450 -6.120 1.00 0.00 C ATOM 1145 CG ASN A 72 -13.251 -2.531 -7.291 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -12.771 -2.815 -8.395 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -13.978 -1.486 -7.086 1.00 0.00 N ATOM 0 H ASN A 72 -13.835 -5.586 -4.364 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.241 -3.771 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.979 -2.862 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.239 -4.072 -6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.181 -0.847 -7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.350 -1.298 -6.155 1.00 0.00 H new ATOM 1154 N LYS A 73 -14.116 -5.286 -8.157 1.00 0.00 N ATOM 1155 CA LYS A 73 -14.022 -6.325 -9.149 1.00 0.00 C ATOM 1156 C LYS A 73 -12.574 -6.648 -9.441 1.00 0.00 C ATOM 1157 O LYS A 73 -12.276 -7.527 -10.242 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.733 -5.907 -10.432 1.00 0.00 C ATOM 1159 CG LYS A 73 -16.251 -5.737 -10.302 1.00 0.00 C ATOM 1160 CD LYS A 73 -16.952 -7.023 -9.827 1.00 0.00 C ATOM 1161 CE LYS A 73 -16.704 -8.212 -10.765 1.00 0.00 C ATOM 1162 NZ LYS A 73 -17.197 -7.958 -12.148 1.00 0.00 N ATOM 0 H LYS A 73 -14.046 -4.342 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.508 -7.217 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.305 -4.966 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.530 -6.651 -11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.464 -4.931 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.663 -5.437 -11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.601 -7.275 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -18.024 -6.841 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.636 -8.429 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.197 -9.097 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.068 -8.814 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.207 -7.710 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.661 -7.173 -12.569 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.687 -5.912 -8.820 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.275 -6.169 -8.951 1.00 0.00 C ATOM 1178 C ARG A 74 -9.867 -7.314 -8.040 1.00 0.00 C ATOM 1179 O ARG A 74 -10.081 -7.253 -6.831 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.456 -4.920 -8.603 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.354 -3.852 -9.692 1.00 0.00 C ATOM 1182 CD ARG A 74 -8.527 -4.352 -10.880 1.00 0.00 C ATOM 1183 NE ARG A 74 -8.115 -3.259 -11.790 1.00 0.00 N ATOM 1184 CZ ARG A 74 -6.959 -3.246 -12.503 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -6.160 -4.328 -12.507 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -6.606 -2.164 -13.206 1.00 0.00 N ATOM 0 H ARG A 74 -11.920 -5.125 -8.215 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.075 -6.439 -9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.891 -4.462 -7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.447 -5.235 -8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.353 -3.577 -10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.898 -2.952 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.639 -4.865 -10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.108 -5.085 -11.439 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.743 -2.461 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.422 -5.158 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.292 -4.319 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.207 -1.340 -13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.736 -2.163 -13.738 1.00 0.00 H new ATOM 1200 N LYS A 75 -9.325 -8.363 -8.613 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.805 -9.443 -7.810 1.00 0.00 C ATOM 1202 C LYS A 75 -7.504 -8.993 -7.167 1.00 0.00 C ATOM 1203 O LYS A 75 -6.679 -8.350 -7.819 1.00 0.00 O ATOM 1204 CB LYS A 75 -8.597 -10.726 -8.630 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.978 -11.837 -7.802 1.00 0.00 C ATOM 1206 CD LYS A 75 -7.875 -13.153 -8.528 1.00 0.00 C ATOM 1207 CE LYS A 75 -7.190 -14.186 -7.635 1.00 0.00 C ATOM 1208 NZ LYS A 75 -7.883 -14.344 -6.325 1.00 0.00 N ATOM 0 H LYS A 75 -9.233 -8.491 -9.621 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.535 -9.686 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.555 -11.061 -9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.955 -10.510 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.982 -11.529 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.571 -11.977 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.869 -13.503 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.310 -13.026 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.163 -15.147 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.156 -13.887 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.578 -15.231 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.644 -13.543 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.912 -14.369 -6.477 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.354 -9.285 -5.899 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.201 -8.867 -5.152 1.00 0.00 C ATOM 1224 C GLY A 76 -6.574 -7.709 -4.276 1.00 0.00 C ATOM 1225 O GLY A 76 -5.992 -7.485 -3.230 1.00 0.00 O ATOM 0 H GLY A 76 -8.032 -9.821 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.827 -9.692 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.397 -8.581 -5.831 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.597 -7.003 -4.704 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.092 -5.842 -4.016 1.00 0.00 C ATOM 1231 C PHE A 77 -8.847 -6.280 -2.795 1.00 0.00 C ATOM 1232 O PHE A 77 -8.657 -5.763 -1.710 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.032 -5.070 -4.946 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.537 -3.769 -4.396 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.683 -3.726 -3.626 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.862 -2.590 -4.651 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -11.143 -2.538 -3.119 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.325 -1.393 -4.144 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.467 -1.372 -3.376 1.00 0.00 C ATOM 0 H PHE A 77 -8.114 -7.227 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.260 -5.201 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.512 -4.874 -5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.887 -5.704 -5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.223 -4.639 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.965 -2.606 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -12.039 -2.520 -2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.793 -0.476 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.831 -0.437 -2.976 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.665 -7.271 -2.982 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.530 -7.769 -1.938 1.00 0.00 C ATOM 1251 C ASN A 78 -9.741 -8.609 -0.971 1.00 0.00 C ATOM 1252 O ASN A 78 -9.977 -8.581 0.238 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.685 -8.542 -2.558 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.573 -7.638 -3.398 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.787 -6.483 -3.075 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -13.011 -8.122 -4.513 1.00 0.00 N ATOM 0 H ASN A 78 -9.757 -7.766 -3.869 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.951 -6.936 -1.375 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.293 -9.348 -3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.278 -9.006 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.551 -7.533 -5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.817 -9.093 -4.759 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.783 -9.330 -1.498 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.870 -10.089 -0.696 1.00 0.00 C ATOM 1265 C GLU A 79 -6.985 -9.125 0.092 1.00 0.00 C ATOM 1266 O GLU A 79 -6.668 -9.355 1.257 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.014 -11.038 -1.561 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.812 -12.061 -2.389 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.288 -11.569 -3.760 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.800 -10.430 -3.887 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -8.118 -12.321 -4.747 1.00 0.00 O ATOM 0 H GLU A 79 -8.618 -9.404 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.438 -10.713 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.407 -10.439 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.326 -11.577 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.194 -12.947 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.682 -12.371 -1.811 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.641 -8.019 -0.546 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.853 -6.992 0.083 1.00 0.00 C ATOM 1280 C GLY A 80 -6.621 -6.260 1.137 1.00 0.00 C ATOM 1281 O GLY A 80 -6.066 -5.845 2.143 1.00 0.00 O ATOM 0 H GLY A 80 -6.903 -7.815 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.964 -7.439 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.510 -6.285 -0.672 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.899 -6.103 0.894 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.821 -5.507 1.814 1.00 0.00 C ATOM 1287 C LEU A 81 -8.848 -6.338 3.099 1.00 0.00 C ATOM 1288 O LEU A 81 -8.931 -5.809 4.193 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.176 -5.494 1.131 1.00 0.00 C ATOM 1290 CG LEU A 81 -11.320 -4.804 1.822 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.979 -3.344 2.061 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -12.556 -4.934 0.951 1.00 0.00 C ATOM 0 H LEU A 81 -8.335 -6.398 0.020 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.536 -4.490 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.050 -5.029 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.470 -6.529 0.957 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.509 -5.266 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.813 -2.853 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.089 -3.276 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.789 -2.854 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.397 -4.439 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.370 -4.468 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.790 -5.989 0.807 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.736 -7.639 2.934 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.648 -8.548 4.045 1.00 0.00 C ATOM 1306 C TRP A 82 -7.275 -8.421 4.722 1.00 0.00 C ATOM 1307 O TRP A 82 -7.184 -8.307 5.955 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.904 -9.984 3.563 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.693 -11.026 4.612 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.551 -11.374 5.601 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.541 -11.856 4.764 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.994 -12.364 6.380 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.762 -12.680 5.878 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.346 -11.975 4.061 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.825 -13.613 6.310 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.414 -12.901 4.484 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.659 -13.711 5.600 1.00 0.00 C ATOM 0 H TRP A 82 -8.704 -8.092 2.021 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.410 -8.296 4.783 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.928 -10.055 3.196 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.247 -10.195 2.719 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.527 -10.939 5.756 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.429 -12.791 7.197 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.151 -11.354 3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.010 -14.236 7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.483 -13.002 3.947 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.912 -14.428 5.907 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.216 -8.424 3.921 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.858 -8.314 4.444 1.00 0.00 C ATOM 1330 C GLU A 83 -4.591 -7.032 5.195 1.00 0.00 C ATOM 1331 O GLU A 83 -3.899 -7.057 6.166 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.763 -8.504 3.402 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.514 -9.923 2.963 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.206 -10.043 2.205 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.134 -9.642 1.032 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.202 -10.512 2.788 1.00 0.00 O ATOM 0 H GLU A 83 -6.271 -8.501 2.905 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.813 -9.148 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.017 -7.911 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.833 -8.099 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.493 -10.577 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.336 -10.260 2.331 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.136 -5.929 4.772 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.826 -4.676 5.448 1.00 0.00 C ATOM 1345 C ILE A 84 -5.465 -4.610 6.856 1.00 0.00 C ATOM 1346 O ILE A 84 -4.934 -3.971 7.766 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.165 -3.431 4.574 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.589 -2.158 5.209 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.673 -3.303 4.354 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.581 -0.956 4.295 1.00 0.00 C ATOM 0 H ILE A 84 -5.781 -5.856 3.985 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.746 -4.652 5.595 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.702 -3.565 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.167 -1.917 6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.568 -2.359 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.878 -2.425 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.044 -4.194 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.174 -3.198 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.158 -0.101 4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.978 -1.173 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.601 -0.725 3.988 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.557 -5.332 7.027 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.254 -5.403 8.311 1.00 0.00 C ATOM 1364 C ASP A 85 -6.617 -6.450 9.229 1.00 0.00 C ATOM 1365 O ASP A 85 -6.486 -6.250 10.429 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.762 -5.731 8.101 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.632 -4.523 7.741 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.247 -3.705 6.874 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.717 -4.336 8.355 1.00 0.00 O ATOM 0 H ASP A 85 -6.989 -5.886 6.287 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.167 -4.427 8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.852 -6.476 7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.152 -6.185 9.012 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.176 -7.548 8.645 1.00 0.00 N ATOM 1375 CA ASN A 86 -5.677 -8.700 9.427 1.00 0.00 C ATOM 1376 C ASN A 86 -4.166 -8.774 9.460 1.00 0.00 C ATOM 1377 O ASN A 86 -3.542 -9.240 10.447 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.233 -10.003 8.850 1.00 0.00 C ATOM 1379 CG ASN A 86 -7.724 -10.110 9.013 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.220 -10.678 9.975 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.445 -9.549 8.091 1.00 0.00 N ATOM 0 H ASN A 86 -6.147 -7.682 7.634 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.022 -8.559 10.451 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.980 -10.066 7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.754 -10.849 9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.463 -9.573 8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.994 -9.084 7.303 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.549 -8.328 8.419 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.099 -8.401 8.335 1.00 0.00 C ATOM 1390 C ASN A 87 -1.454 -7.036 7.961 1.00 0.00 C ATOM 1391 O ASN A 87 -0.726 -6.945 6.988 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.701 -9.450 7.291 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.284 -9.937 7.466 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.229 -9.987 8.595 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.347 -10.312 6.385 1.00 0.00 N ATOM 0 H ASN A 87 -4.007 -7.908 7.610 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.730 -8.679 9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.383 -10.298 7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.814 -9.025 6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.302 -10.664 6.448 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.116 -10.253 5.478 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.644 -5.969 8.777 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.028 -4.644 8.505 1.00 0.00 C ATOM 1404 C PRO A 88 0.456 -4.642 8.902 1.00 0.00 C ATOM 1405 O PRO A 88 1.199 -3.686 8.675 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.818 -3.712 9.424 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.233 -4.560 10.570 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.490 -5.923 10.004 1.00 0.00 C ATOM 0 HA PRO A 88 -1.063 -4.361 7.453 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.206 -2.873 9.755 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.683 -3.292 8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.454 -4.594 11.332 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.128 -4.161 11.047 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.213 -6.707 10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.545 -6.065 9.767 1.00 0.00 H new ATOM 1416 N LYS A 89 0.844 -5.744 9.500 1.00 0.00 N ATOM 1417 CA LYS A 89 2.149 -5.958 10.071 1.00 0.00 C ATOM 1418 C LYS A 89 3.085 -6.623 9.066 1.00 0.00 C ATOM 1419 O LYS A 89 4.219 -6.975 9.405 1.00 0.00 O ATOM 1420 CB LYS A 89 1.982 -6.835 11.327 1.00 0.00 C ATOM 1421 CG LYS A 89 1.329 -8.196 11.051 1.00 0.00 C ATOM 1422 CD LYS A 89 0.937 -8.914 12.336 1.00 0.00 C ATOM 1423 CE LYS A 89 0.344 -10.303 12.063 1.00 0.00 C ATOM 1424 NZ LYS A 89 -0.822 -10.272 11.124 1.00 0.00 N ATOM 0 H LYS A 89 0.229 -6.551 9.605 1.00 0.00 H new ATOM 0 HA LYS A 89 2.597 -5.001 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.961 -6.997 11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.380 -6.295 12.058 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.444 -8.054 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.019 -8.820 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.813 -9.014 12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.211 -8.311 12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.119 -10.947 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.031 -10.749 13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.352 -11.164 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.445 -9.477 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.480 -10.154 10.149 1.00 0.00 H new