USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 548 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 64 SER OG : rot -95:sc= 1.09 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= 1.43 K(o=3.2,f=-0.88) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.594 K(o=3.2,f=0.37!) USER MOD Set 2.3: A 61 HIS : no HE2:sc= 1.15 K(o=3.2,f=-2.3!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -1.28 K(o=-0.2,f=-1.4!) USER MOD Set 3.2: A 63 HIS : no HE2:sc= 1.08 K(o=-0.2,f=-4.7!) USER MOD Set 4.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 71 SER OG : rot -63:sc= 1.24 USER MOD Set 5.1: A 21 THR OG1 : rot 77:sc= 1 USER MOD Set 5.2: A 33 THR OG1 : rot -159:sc= 1.35 USER MOD Set 6.1: A 15 HIS : no HE2:sc= -0.0458 K(o=1.7,f=-6.6!) USER MOD Set 6.2: A 20 SER OG : rot 57:sc= 1.75 USER MOD Single : A 6 TYR OH : rot 41:sc= 1.28 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 13 GLN : amide:sc= -1.65! K(o=-1.6!,f=-0.072) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= 1.17 (180deg=1.07) USER MOD Single : A 16 ASN : amide:sc= 0.16 K(o=0.16,f=-5.8!) USER MOD Single : A 26 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= 2.42 (180deg=-0.179) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= 0.914 (180deg=-0.0307) USER MOD Single : A 55 THR OG1 : rot 19:sc= 1.11 USER MOD Single : A 72 LYS NZ :NH3+ -126:sc= 0.637 (180deg=-3.4!) USER MOD Single : A 73 THR OG1 : rot -37:sc= 0.361 USER MOD Single : A 80 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-0.0066) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.852 13.281 -1.013 1.00 10.00 N ATOM 52 CA TYR A 6 -8.588 12.045 -0.817 1.00 10.00 C ATOM 53 C TYR A 6 -8.834 11.284 -2.105 1.00 10.00 C ATOM 54 O TYR A 6 -8.930 11.806 -3.212 1.00 10.00 O ATOM 55 CB TYR A 6 -9.922 12.189 -0.079 1.00 10.00 C ATOM 56 CG TYR A 6 -9.943 12.154 1.423 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.907 10.889 2.017 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.372 13.253 2.186 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.083 10.736 3.389 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.519 13.115 3.579 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.302 11.868 4.192 1.00 10.00 C ATOM 62 OH TYR A 6 -10.257 11.774 5.547 1.00 10.00 O ATOM 0 HA TYR A 6 -7.915 11.478 -0.174 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.367 13.134 -0.390 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.579 11.395 -0.434 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.740 10.017 1.402 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.587 14.197 1.707 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.051 9.752 3.834 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.799 13.969 4.178 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.516 11.189 5.810 1.00 10.00 H new ATOM 72 N TYR A 7 -8.877 9.982 -1.906 1.00 10.00 N ATOM 73 CA TYR A 7 -8.644 9.005 -2.901 1.00 10.00 C ATOM 74 C TYR A 7 -9.726 7.953 -2.730 1.00 10.00 C ATOM 75 O TYR A 7 -9.865 7.336 -1.675 1.00 10.00 O ATOM 76 CB TYR A 7 -7.229 8.553 -2.625 1.00 10.00 C ATOM 77 CG TYR A 7 -6.202 9.482 -3.252 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.019 9.487 -4.644 1.00 10.00 C ATOM 79 CD2 TYR A 7 -5.702 10.563 -2.505 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.181 10.438 -5.250 1.00 10.00 C ATOM 81 CE2 TYR A 7 -4.856 11.512 -3.101 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.551 11.417 -4.467 1.00 10.00 C ATOM 83 OH TYR A 7 -3.794 12.382 -5.059 1.00 10.00 O ATOM 0 H TYR A 7 -9.087 9.577 -0.994 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.706 9.319 -3.943 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -7.067 8.507 -1.548 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.089 7.544 -3.012 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.526 8.754 -5.254 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -5.971 10.664 -1.464 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.022 10.415 -6.318 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -4.441 12.314 -2.509 1.00 10.00 H new ATOM 0 HH TYR A 7 -3.431 12.980 -4.373 1.00 10.00 H new ATOM 93 N THR A 8 -10.580 7.854 -3.735 1.00 10.00 N ATOM 94 CA THR A 8 -11.776 7.031 -3.620 1.00 10.00 C ATOM 95 C THR A 8 -11.404 5.560 -3.779 1.00 10.00 C ATOM 96 O THR A 8 -10.362 5.234 -4.345 1.00 10.00 O ATOM 97 CB THR A 8 -12.853 7.439 -4.636 1.00 10.00 C ATOM 98 OG1 THR A 8 -12.441 7.107 -5.945 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.188 8.930 -4.544 1.00 10.00 C ATOM 0 H THR A 8 -10.471 8.327 -4.632 1.00 10.00 H new ATOM 0 HA THR A 8 -12.203 7.187 -2.629 1.00 10.00 H new ATOM 0 HB THR A 8 -13.760 6.885 -4.395 1.00 10.00 H new ATOM 0 HG1 THR A 8 -13.136 7.370 -6.583 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.954 9.177 -5.279 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.558 9.159 -3.544 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.291 9.517 -4.743 1.00 10.00 H new ATOM 107 N LEU A 9 -12.268 4.653 -3.320 1.00 10.00 N ATOM 108 CA LEU A 9 -12.093 3.235 -3.587 1.00 10.00 C ATOM 109 C LEU A 9 -11.951 2.961 -5.074 1.00 10.00 C ATOM 110 O LEU A 9 -11.109 2.148 -5.438 1.00 10.00 O ATOM 111 CB LEU A 9 -13.187 2.428 -2.896 1.00 10.00 C ATOM 112 CG LEU A 9 -13.454 1.000 -3.406 1.00 10.00 C ATOM 113 CD1 LEU A 9 -14.021 0.160 -2.255 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.469 0.973 -4.558 1.00 10.00 C ATOM 0 H LEU A 9 -13.092 4.880 -2.764 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.151 2.898 -3.154 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.938 2.365 -1.837 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.117 2.991 -2.972 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.508 0.600 -3.772 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.214 -0.854 -2.605 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.301 0.131 -1.437 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.952 0.606 -1.903 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.624 -0.056 -4.883 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.416 1.392 -4.218 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.089 1.563 -5.392 1.00 10.00 H new ATOM 126 N GLU A 10 -12.700 3.670 -5.931 1.00 10.00 N ATOM 127 CA GLU A 10 -12.486 3.550 -7.367 1.00 10.00 C ATOM 128 C GLU A 10 -11.009 3.741 -7.660 1.00 10.00 C ATOM 129 O GLU A 10 -10.367 2.822 -8.163 1.00 10.00 O ATOM 130 CB GLU A 10 -13.306 4.557 -8.187 1.00 10.00 C ATOM 131 CG GLU A 10 -12.983 4.340 -9.678 1.00 10.00 C ATOM 132 CD GLU A 10 -13.894 5.072 -10.647 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.723 5.883 -10.187 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.712 4.795 -11.856 1.00 10.00 O ATOM 0 H GLU A 10 -13.440 4.316 -5.657 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.822 2.557 -7.665 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.372 4.418 -8.005 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.063 5.577 -7.890 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -11.956 4.655 -9.861 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -13.032 3.273 -9.893 1.00 10.00 H new ATOM 141 N GLU A 11 -10.486 4.927 -7.327 1.00 10.00 N ATOM 142 CA GLU A 11 -9.101 5.280 -7.607 1.00 10.00 C ATOM 143 C GLU A 11 -8.200 4.175 -7.101 1.00 10.00 C ATOM 144 O GLU A 11 -7.325 3.669 -7.800 1.00 10.00 O ATOM 145 CB GLU A 11 -8.672 6.578 -6.901 1.00 10.00 C ATOM 146 CG GLU A 11 -9.417 7.811 -7.430 1.00 10.00 C ATOM 147 CD GLU A 11 -9.046 9.115 -6.745 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.027 9.734 -7.120 1.00 10.00 O ATOM 149 OE2 GLU A 11 -9.812 9.535 -5.852 1.00 10.00 O ATOM 0 H GLU A 11 -11.014 5.663 -6.858 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.017 5.421 -8.685 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.851 6.481 -5.830 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.600 6.722 -7.033 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.220 7.908 -8.498 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -10.489 7.648 -7.317 1.00 10.00 H new ATOM 156 N ILE A 12 -8.416 3.828 -5.840 1.00 10.00 N ATOM 157 CA ILE A 12 -7.513 2.949 -5.161 1.00 10.00 C ATOM 158 C ILE A 12 -7.485 1.595 -5.864 1.00 10.00 C ATOM 159 O ILE A 12 -6.409 1.063 -6.122 1.00 10.00 O ATOM 160 CB ILE A 12 -7.904 2.866 -3.679 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.674 4.213 -2.975 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.105 1.785 -2.961 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.537 4.351 -1.723 1.00 10.00 C ATOM 0 H ILE A 12 -9.207 4.146 -5.281 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.494 3.334 -5.197 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.964 2.614 -3.637 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.622 4.307 -2.704 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.900 5.027 -3.664 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.402 1.748 -1.913 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.299 0.819 -3.427 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.041 2.013 -3.029 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.346 5.316 -1.254 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.590 4.283 -1.997 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.292 3.552 -1.023 1.00 10.00 H new ATOM 175 N GLN A 13 -8.661 1.065 -6.210 1.00 10.00 N ATOM 176 CA GLN A 13 -8.764 -0.218 -6.895 1.00 10.00 C ATOM 177 C GLN A 13 -8.054 -0.127 -8.239 1.00 10.00 C ATOM 178 O GLN A 13 -7.276 -1.001 -8.617 1.00 10.00 O ATOM 179 CB GLN A 13 -10.234 -0.574 -7.146 1.00 10.00 C ATOM 180 CG GLN A 13 -10.929 -1.125 -5.896 1.00 10.00 C ATOM 181 CD GLN A 13 -12.402 -1.433 -6.149 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.999 -2.092 -5.271 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.908 -1.017 -7.215 1.00 10.00 N ATOM 0 H GLN A 13 -9.559 1.511 -6.024 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.307 -0.985 -6.270 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.765 0.313 -7.491 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.294 -1.312 -7.946 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.420 -2.032 -5.568 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.844 -0.401 -5.085 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.341 -0.485 -7.875 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.887 -1.210 -7.424 1.00 10.00 H new ATOM 190 N LYS A 14 -8.358 0.954 -8.957 1.00 10.00 N ATOM 191 CA LYS A 14 -7.793 1.283 -10.252 1.00 10.00 C ATOM 192 C LYS A 14 -6.264 1.148 -10.190 1.00 10.00 C ATOM 193 O LYS A 14 -5.627 0.536 -11.049 1.00 10.00 O ATOM 194 CB LYS A 14 -8.193 2.734 -10.575 1.00 10.00 C ATOM 195 CG LYS A 14 -8.659 3.013 -12.009 1.00 10.00 C ATOM 196 CD LYS A 14 -10.168 2.722 -12.120 1.00 10.00 C ATOM 197 CE LYS A 14 -10.777 3.275 -13.416 1.00 10.00 C ATOM 198 NZ LYS A 14 -12.255 3.266 -13.376 1.00 10.00 N ATOM 0 H LYS A 14 -9.032 1.648 -8.634 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.163 0.611 -11.026 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.992 3.027 -9.894 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.340 3.378 -10.362 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.457 4.051 -12.274 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.104 2.391 -12.711 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.332 1.645 -12.075 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.683 3.159 -11.264 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.424 4.294 -13.578 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.433 2.680 -14.262 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.629 3.281 -14.346 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.584 2.407 -12.891 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.593 4.104 -12.862 1.00 10.00 H new ATOM 212 N HIS A 15 -5.677 1.753 -9.156 1.00 10.00 N ATOM 213 CA HIS A 15 -4.246 1.826 -8.941 1.00 10.00 C ATOM 214 C HIS A 15 -3.663 0.502 -8.424 1.00 10.00 C ATOM 215 O HIS A 15 -3.178 0.384 -7.297 1.00 10.00 O ATOM 216 CB HIS A 15 -3.964 3.007 -8.019 1.00 10.00 C ATOM 217 CG HIS A 15 -3.821 4.316 -8.754 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.628 4.932 -9.033 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.813 5.069 -9.323 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.895 6.039 -9.746 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.214 6.163 -9.956 1.00 10.00 N ATOM 0 H HIS A 15 -6.212 2.220 -8.424 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.739 1.991 -9.892 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.772 3.093 -7.292 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -3.050 2.811 -7.458 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.703 4.608 -8.750 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.871 4.856 -9.289 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.149 6.734 -10.102 1.00 10.00 H new ATOM 229 N ASN A 16 -3.641 -0.495 -9.305 1.00 10.00 N ATOM 230 CA ASN A 16 -3.003 -1.783 -9.056 1.00 10.00 C ATOM 231 C ASN A 16 -2.698 -2.513 -10.364 1.00 10.00 C ATOM 232 O ASN A 16 -3.467 -3.366 -10.801 1.00 10.00 O ATOM 233 CB ASN A 16 -3.855 -2.657 -8.123 1.00 10.00 C ATOM 234 CG ASN A 16 -3.150 -3.975 -7.796 1.00 10.00 C ATOM 235 OD1 ASN A 16 -2.009 -4.198 -8.196 1.00 10.00 O ATOM 236 ND2 ASN A 16 -3.797 -4.850 -7.034 1.00 10.00 N ATOM 0 H ASN A 16 -4.073 -0.429 -10.227 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.055 -1.587 -8.555 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -4.061 -2.114 -7.201 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.817 -2.864 -8.593 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.348 -5.727 -6.770 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.743 -4.645 -6.713 1.00 10.00 H new ATOM 290 N SER A 20 1.336 2.236 -10.458 1.00 10.00 N ATOM 291 CA SER A 20 1.189 3.153 -9.346 1.00 10.00 C ATOM 292 C SER A 20 0.356 2.355 -8.370 1.00 10.00 C ATOM 293 O SER A 20 -0.868 2.360 -8.439 1.00 10.00 O ATOM 294 CB SER A 20 0.562 4.439 -9.867 1.00 10.00 C ATOM 295 OG SER A 20 0.048 5.270 -8.854 1.00 10.00 O ATOM 0 HA SER A 20 2.102 3.488 -8.854 1.00 10.00 H new ATOM 0 HB2 SER A 20 1.310 4.993 -10.434 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.241 4.186 -10.559 1.00 10.00 H new ATOM 0 HG SER A 20 0.761 5.491 -8.219 1.00 10.00 H new ATOM 301 N THR A 21 1.057 1.502 -7.633 1.00 10.00 N ATOM 302 CA THR A 21 0.470 0.345 -6.976 1.00 10.00 C ATOM 303 C THR A 21 0.099 0.715 -5.540 1.00 10.00 C ATOM 304 O THR A 21 0.989 0.916 -4.712 1.00 10.00 O ATOM 305 CB THR A 21 1.458 -0.823 -7.089 1.00 10.00 C ATOM 306 OG1 THR A 21 1.967 -0.862 -8.417 1.00 10.00 O ATOM 307 CG2 THR A 21 0.775 -2.145 -6.729 1.00 10.00 C ATOM 0 H THR A 21 2.060 1.597 -7.474 1.00 10.00 H new ATOM 0 HA THR A 21 -0.457 0.027 -7.453 1.00 10.00 H new ATOM 0 HB THR A 21 2.280 -0.678 -6.388 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.638 -0.157 -8.531 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.493 -2.961 -6.815 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.403 -2.096 -5.706 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.058 -2.321 -7.409 1.00 10.00 H new ATOM 315 N TRP A 22 -1.208 0.848 -5.281 1.00 10.00 N ATOM 316 CA TRP A 22 -1.775 1.501 -4.107 1.00 10.00 C ATOM 317 C TRP A 22 -2.279 0.476 -3.102 1.00 10.00 C ATOM 318 O TRP A 22 -2.692 -0.602 -3.507 1.00 10.00 O ATOM 319 CB TRP A 22 -2.914 2.419 -4.558 1.00 10.00 C ATOM 320 CG TRP A 22 -2.478 3.748 -5.100 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.257 4.053 -5.587 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.283 4.930 -5.340 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.261 5.310 -6.143 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.518 5.875 -6.082 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.600 5.282 -5.018 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.081 7.061 -6.580 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.192 6.432 -5.549 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.455 7.284 -6.391 1.00 10.00 C ATOM 0 H TRP A 22 -1.923 0.487 -5.912 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.002 2.089 -3.612 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.495 1.904 -5.323 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.581 2.589 -3.712 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.397 3.401 -5.546 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.443 5.765 -6.547 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.168 4.654 -4.348 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.471 7.786 -7.097 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.219 6.667 -5.312 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.944 8.107 -6.891 1.00 10.00 H new ATOM 339 N LEU A 23 -2.272 0.783 -1.801 1.00 10.00 N ATOM 340 CA LEU A 23 -2.901 -0.063 -0.783 1.00 10.00 C ATOM 341 C LEU A 23 -3.408 0.814 0.361 1.00 10.00 C ATOM 342 O LEU A 23 -2.863 1.904 0.550 1.00 10.00 O ATOM 343 CB LEU A 23 -1.960 -1.167 -0.247 1.00 10.00 C ATOM 344 CG LEU A 23 -0.605 -1.366 -0.932 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.388 -0.410 -0.300 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.106 -2.807 -0.772 1.00 10.00 C ATOM 0 H LEU A 23 -1.831 1.623 -1.425 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.736 -0.580 -1.257 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.772 -0.960 0.807 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.498 -2.114 -0.295 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.710 -1.168 -1.999 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.363 -0.533 -0.772 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.045 0.615 -0.438 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.471 -0.624 0.766 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.858 -2.916 -1.269 1.00 10.00 H new ATOM 0 HD22 LEU A 23 0.004 -3.038 0.287 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.825 -3.493 -1.220 1.00 10.00 H new ATOM 358 N ILE A 24 -4.426 0.351 1.111 1.00 10.00 N ATOM 359 CA ILE A 24 -4.961 1.074 2.269 1.00 10.00 C ATOM 360 C ILE A 24 -4.461 0.471 3.582 1.00 10.00 C ATOM 361 O ILE A 24 -4.760 -0.686 3.898 1.00 10.00 O ATOM 362 CB ILE A 24 -6.508 1.159 2.293 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.176 1.380 0.927 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.929 2.284 3.250 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.612 0.846 0.913 1.00 10.00 C ATOM 0 H ILE A 24 -4.897 -0.535 0.927 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.586 2.092 2.166 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.853 0.181 2.628 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.180 2.444 0.690 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.594 0.883 0.151 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.017 2.353 3.275 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.556 2.068 4.251 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.513 3.230 2.904 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.055 1.019 -0.068 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.605 -0.223 1.125 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.200 1.362 1.672 1.00 10.00 H new ATOM 377 N LEU A 25 -3.739 1.281 4.360 1.00 10.00 N ATOM 378 CA LEU A 25 -3.210 0.961 5.678 1.00 10.00 C ATOM 379 C LEU A 25 -3.752 2.024 6.648 1.00 10.00 C ATOM 380 O LEU A 25 -3.261 3.147 6.685 1.00 10.00 O ATOM 381 CB LEU A 25 -1.675 0.970 5.631 1.00 10.00 C ATOM 382 CG LEU A 25 -0.955 -0.313 5.191 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.420 -0.857 3.840 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.549 -0.015 5.087 1.00 10.00 C ATOM 0 H LEU A 25 -3.498 2.228 4.067 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.517 -0.031 6.008 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.367 1.772 4.960 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.313 1.231 6.626 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.186 -1.071 5.939 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.863 -1.763 3.602 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.484 -1.087 3.887 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.244 -0.109 3.067 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.078 -0.916 4.775 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.714 0.775 4.354 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.924 0.308 6.058 1.00 10.00 H new ATOM 396 N HIS A 26 -4.778 1.702 7.436 1.00 10.00 N ATOM 397 CA HIS A 26 -5.325 2.613 8.446 1.00 10.00 C ATOM 398 C HIS A 26 -5.913 3.867 7.777 1.00 10.00 C ATOM 399 O HIS A 26 -5.564 5.004 8.111 1.00 10.00 O ATOM 400 CB HIS A 26 -4.276 2.979 9.522 1.00 10.00 C ATOM 401 CG HIS A 26 -3.289 1.894 9.885 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.504 0.816 10.716 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.986 1.838 9.468 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.358 0.112 10.766 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.406 0.693 10.015 1.00 10.00 N ATOM 0 H HIS A 26 -5.255 0.801 7.393 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.132 2.094 8.963 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.718 3.848 9.175 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.804 3.280 10.427 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.493 2.555 8.828 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.221 -0.797 11.333 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.451 0.363 9.874 1.00 10.00 H new ATOM 413 N TYR A 27 -6.786 3.662 6.787 1.00 10.00 N ATOM 414 CA TYR A 27 -7.380 4.695 5.938 1.00 10.00 C ATOM 415 C TYR A 27 -6.371 5.368 4.999 1.00 10.00 C ATOM 416 O TYR A 27 -6.748 5.697 3.880 1.00 10.00 O ATOM 417 CB TYR A 27 -8.186 5.753 6.713 1.00 10.00 C ATOM 418 CG TYR A 27 -9.541 5.313 7.235 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.644 4.342 8.249 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.699 5.979 6.792 1.00 10.00 C ATOM 421 CE1 TYR A 27 -10.898 4.029 8.804 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.942 5.705 7.384 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.047 4.718 8.379 1.00 10.00 C ATOM 424 OH TYR A 27 -13.254 4.472 8.974 1.00 10.00 O ATOM 0 H TYR A 27 -7.112 2.726 6.545 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.089 4.144 5.320 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.586 6.089 7.558 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.333 6.616 6.063 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.758 3.836 8.602 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.631 6.703 5.994 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -10.978 3.259 9.557 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.819 6.254 7.074 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.943 5.034 8.561 1.00 10.00 H new ATOM 434 N LYS A 28 -5.122 5.604 5.415 1.00 10.00 N ATOM 435 CA LYS A 28 -4.126 6.193 4.522 1.00 10.00 C ATOM 436 C LYS A 28 -3.928 5.285 3.307 1.00 10.00 C ATOM 437 O LYS A 28 -4.071 4.066 3.415 1.00 10.00 O ATOM 438 CB LYS A 28 -2.804 6.477 5.260 1.00 10.00 C ATOM 439 CG LYS A 28 -2.632 7.901 5.786 1.00 10.00 C ATOM 440 CD LYS A 28 -3.830 8.355 6.602 1.00 10.00 C ATOM 441 CE LYS A 28 -3.930 7.806 8.025 1.00 10.00 C ATOM 442 NZ LYS A 28 -5.352 7.684 8.410 1.00 10.00 N ATOM 0 H LYS A 28 -4.782 5.398 6.354 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.490 7.158 4.170 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.722 5.787 6.100 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -1.977 6.256 4.585 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -1.733 7.954 6.401 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.485 8.582 4.948 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.814 9.444 6.656 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.736 8.076 6.064 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.442 6.833 8.086 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.410 8.467 8.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.444 7.797 9.440 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.906 8.422 7.930 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.708 6.747 8.131 1.00 10.00 H new ATOM 456 N VAL A 29 -3.623 5.903 2.164 1.00 10.00 N ATOM 457 CA VAL A 29 -3.424 5.273 0.869 1.00 10.00 C ATOM 458 C VAL A 29 -1.953 5.430 0.495 1.00 10.00 C ATOM 459 O VAL A 29 -1.390 6.524 0.612 1.00 10.00 O ATOM 460 CB VAL A 29 -4.352 5.912 -0.167 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.038 5.482 -1.599 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.794 5.498 0.118 1.00 10.00 C ATOM 0 H VAL A 29 -3.503 6.915 2.121 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.670 4.212 0.904 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.205 6.989 -0.085 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.731 5.969 -2.285 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -3.017 5.769 -1.849 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.142 4.400 -1.685 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.456 5.953 -0.619 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.879 4.413 0.061 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.078 5.833 1.116 1.00 10.00 H new ATOM 472 N TYR A 30 -1.342 4.314 0.094 1.00 10.00 N ATOM 473 CA TYR A 30 0.094 4.125 0.058 1.00 10.00 C ATOM 474 C TYR A 30 0.477 3.652 -1.337 1.00 10.00 C ATOM 475 O TYR A 30 0.091 2.544 -1.695 1.00 10.00 O ATOM 476 CB TYR A 30 0.391 3.047 1.108 1.00 10.00 C ATOM 477 CG TYR A 30 0.304 3.563 2.526 1.00 10.00 C ATOM 478 CD1 TYR A 30 -0.951 3.637 3.146 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.435 4.040 3.210 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.054 4.070 4.470 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.312 4.489 4.538 1.00 10.00 C ATOM 482 CZ TYR A 30 0.079 4.456 5.188 1.00 10.00 C ATOM 483 OH TYR A 30 -0.013 4.809 6.500 1.00 10.00 O ATOM 0 H TYR A 30 -1.858 3.494 -0.224 1.00 10.00 H new ATOM 0 HA TYR A 30 0.656 5.034 0.271 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.312 2.223 0.983 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.389 2.644 0.935 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.840 3.359 2.599 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.396 4.062 2.718 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.023 4.107 4.945 1.00 10.00 H new ATOM 0 HE2 TYR A 30 2.181 4.863 5.059 1.00 10.00 H new ATOM 0 HH TYR A 30 0.876 5.047 6.838 1.00 10.00 H new ATOM 493 N ASP A 31 1.206 4.462 -2.115 1.00 10.00 N ATOM 494 CA ASP A 31 1.693 4.066 -3.434 1.00 10.00 C ATOM 495 C ASP A 31 3.100 3.535 -3.267 1.00 10.00 C ATOM 496 O ASP A 31 3.906 4.201 -2.615 1.00 10.00 O ATOM 497 CB ASP A 31 1.759 5.263 -4.381 1.00 10.00 C ATOM 498 CG ASP A 31 1.882 4.848 -5.843 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.393 3.740 -6.120 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.384 5.632 -6.679 1.00 10.00 O ATOM 0 H ASP A 31 1.472 5.409 -1.844 1.00 10.00 H new ATOM 0 HA ASP A 31 1.016 3.321 -3.851 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.864 5.872 -4.254 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.610 5.888 -4.112 1.00 10.00 H new ATOM 505 N LEU A 32 3.400 2.362 -3.824 1.00 10.00 N ATOM 506 CA LEU A 32 4.754 1.834 -3.781 1.00 10.00 C ATOM 507 C LEU A 32 5.327 1.667 -5.193 1.00 10.00 C ATOM 508 O LEU A 32 6.243 2.388 -5.582 1.00 10.00 O ATOM 509 CB LEU A 32 4.854 0.545 -2.935 1.00 10.00 C ATOM 510 CG LEU A 32 3.787 0.307 -1.851 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.025 -1.068 -1.210 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.848 1.286 -0.683 1.00 10.00 C ATOM 0 H LEU A 32 2.726 1.767 -4.306 1.00 10.00 H new ATOM 0 HA LEU A 32 5.378 2.568 -3.271 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.832 -0.305 -3.617 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.830 0.539 -2.450 1.00 10.00 H new ATOM 0 HG LEU A 32 2.832 0.413 -2.366 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.274 -1.246 -0.440 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.953 -1.843 -1.973 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.018 -1.093 -0.761 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.062 1.047 0.034 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.820 1.210 -0.195 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.706 2.302 -1.052 1.00 10.00 H new ATOM 524 N THR A 33 4.838 0.668 -5.934 1.00 10.00 N ATOM 525 CA THR A 33 5.397 0.171 -7.193 1.00 10.00 C ATOM 526 C THR A 33 6.883 -0.205 -7.080 1.00 10.00 C ATOM 527 O THR A 33 7.212 -1.382 -7.066 1.00 10.00 O ATOM 528 CB THR A 33 5.131 1.128 -8.361 1.00 10.00 C ATOM 529 OG1 THR A 33 3.741 1.319 -8.507 1.00 10.00 O ATOM 530 CG2 THR A 33 5.667 0.544 -9.675 1.00 10.00 C ATOM 0 H THR A 33 3.999 0.159 -5.657 1.00 10.00 H new ATOM 0 HA THR A 33 4.867 -0.755 -7.414 1.00 10.00 H new ATOM 0 HB THR A 33 5.633 2.071 -8.146 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.548 1.636 -9.414 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.468 1.239 -10.490 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.742 0.383 -9.590 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.173 -0.406 -9.879 1.00 10.00 H new ATOM 538 N LYS A 34 7.799 0.762 -6.983 1.00 10.00 N ATOM 539 CA LYS A 34 9.240 0.519 -6.881 1.00 10.00 C ATOM 540 C LYS A 34 9.547 -0.512 -5.791 1.00 10.00 C ATOM 541 O LYS A 34 10.460 -1.324 -5.904 1.00 10.00 O ATOM 542 CB LYS A 34 9.933 1.853 -6.559 1.00 10.00 C ATOM 543 CG LYS A 34 11.468 1.762 -6.544 1.00 10.00 C ATOM 544 CD LYS A 34 12.036 3.064 -5.959 1.00 10.00 C ATOM 545 CE LYS A 34 13.560 3.187 -6.095 1.00 10.00 C ATOM 546 NZ LYS A 34 14.288 2.047 -5.503 1.00 10.00 N ATOM 0 H LYS A 34 7.556 1.753 -6.973 1.00 10.00 H new ATOM 0 HA LYS A 34 9.609 0.119 -7.826 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.629 2.598 -7.295 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.589 2.206 -5.587 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.790 0.908 -5.947 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.847 1.605 -7.554 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.566 3.912 -6.458 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.768 3.126 -4.904 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.819 3.267 -7.151 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.888 4.109 -5.615 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.298 2.283 -5.426 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.906 1.845 -4.557 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 14.173 1.209 -6.109 1.00 10.00 H new ATOM 560 N PHE A 35 8.781 -0.455 -4.705 1.00 10.00 N ATOM 561 CA PHE A 35 9.055 -1.222 -3.509 1.00 10.00 C ATOM 562 C PHE A 35 8.592 -2.661 -3.672 1.00 10.00 C ATOM 563 O PHE A 35 9.071 -3.546 -2.978 1.00 10.00 O ATOM 564 CB PHE A 35 8.333 -0.563 -2.339 1.00 10.00 C ATOM 565 CG PHE A 35 8.980 -0.814 -0.997 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.239 -0.251 -0.717 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.363 -1.655 -0.057 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.884 -0.533 0.499 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.025 -1.962 1.142 1.00 10.00 C ATOM 570 CZ PHE A 35 10.279 -1.396 1.427 1.00 10.00 C ATOM 0 H PHE A 35 7.949 0.131 -4.637 1.00 10.00 H new ATOM 0 HA PHE A 35 10.129 -1.240 -3.324 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.287 0.512 -2.513 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.305 -0.926 -2.309 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.711 0.400 -1.439 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.383 -2.064 -0.256 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.843 -0.087 0.719 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.568 -2.637 1.850 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.777 -1.624 2.358 1.00 10.00 H new ATOM 580 N LEU A 36 7.658 -2.896 -4.595 1.00 10.00 N ATOM 581 CA LEU A 36 7.272 -4.232 -5.018 1.00 10.00 C ATOM 582 C LEU A 36 8.514 -5.096 -5.261 1.00 10.00 C ATOM 583 O LEU A 36 8.567 -6.242 -4.817 1.00 10.00 O ATOM 584 CB LEU A 36 6.435 -4.133 -6.298 1.00 10.00 C ATOM 585 CG LEU A 36 5.113 -3.360 -6.213 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.528 -3.364 -7.630 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.108 -3.999 -5.254 1.00 10.00 C ATOM 0 H LEU A 36 7.147 -2.153 -5.071 1.00 10.00 H new ATOM 0 HA LEU A 36 6.680 -4.701 -4.233 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.050 -3.667 -7.068 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.213 -5.145 -6.636 1.00 10.00 H new ATOM 0 HG LEU A 36 5.305 -2.357 -5.831 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.580 -2.825 -7.634 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.225 -2.878 -8.313 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.362 -4.392 -7.952 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.193 -3.406 -5.237 1.00 10.00 H new ATOM 0 HD22 LEU A 36 3.879 -5.011 -5.588 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.535 -4.036 -4.252 1.00 10.00 H new ATOM 599 N GLU A 37 9.520 -4.516 -5.925 1.00 10.00 N ATOM 600 CA GLU A 37 10.842 -5.104 -6.032 1.00 10.00 C ATOM 601 C GLU A 37 11.491 -5.151 -4.647 1.00 10.00 C ATOM 602 O GLU A 37 11.775 -6.220 -4.108 1.00 10.00 O ATOM 603 CB GLU A 37 11.693 -4.267 -7.001 1.00 10.00 C ATOM 604 CG GLU A 37 11.119 -4.229 -8.425 1.00 10.00 C ATOM 605 CD GLU A 37 11.123 -5.601 -9.084 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.229 -6.170 -9.191 1.00 10.00 O ATOM 607 OE2 GLU A 37 10.023 -6.052 -9.469 1.00 10.00 O ATOM 0 H GLU A 37 9.430 -3.620 -6.403 1.00 10.00 H new ATOM 0 HA GLU A 37 10.769 -6.121 -6.418 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.772 -3.249 -6.620 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.703 -4.675 -7.033 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.099 -3.846 -8.393 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.701 -3.535 -9.031 1.00 10.00 H new ATOM 614 N GLU A 38 11.740 -3.978 -4.063 1.00 10.00 N ATOM 615 CA GLU A 38 12.549 -3.820 -2.860 1.00 10.00 C ATOM 616 C GLU A 38 11.779 -4.144 -1.569 1.00 10.00 C ATOM 617 O GLU A 38 11.861 -3.406 -0.589 1.00 10.00 O ATOM 618 CB GLU A 38 13.102 -2.394 -2.839 1.00 10.00 C ATOM 619 CG GLU A 38 14.026 -2.112 -4.037 1.00 10.00 C ATOM 620 CD GLU A 38 13.933 -0.680 -4.542 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.738 0.259 -3.737 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.095 -0.477 -5.766 1.00 10.00 O ATOM 0 H GLU A 38 11.376 -3.095 -4.422 1.00 10.00 H new ATOM 0 HA GLU A 38 13.365 -4.541 -2.893 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.274 -1.685 -2.846 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.652 -2.233 -1.912 1.00 10.00 H new ATOM 0 HG2 GLU A 38 15.056 -2.323 -3.750 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.775 -2.794 -4.849 1.00 10.00 H new ATOM 629 N HIS A 39 11.074 -5.273 -1.548 1.00 10.00 N ATOM 630 CA HIS A 39 10.282 -5.743 -0.421 1.00 10.00 C ATOM 631 C HIS A 39 10.477 -7.250 -0.247 1.00 10.00 C ATOM 632 O HIS A 39 10.213 -7.987 -1.191 1.00 10.00 O ATOM 633 CB HIS A 39 8.806 -5.443 -0.690 1.00 10.00 C ATOM 634 CG HIS A 39 7.869 -5.965 0.364 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.782 -6.776 0.146 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.831 -5.557 1.668 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.095 -6.833 1.301 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.695 -6.109 2.264 1.00 10.00 N ATOM 0 H HIS A 39 11.039 -5.907 -2.346 1.00 10.00 H new ATOM 0 HA HIS A 39 10.601 -5.235 0.489 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.676 -4.364 -0.774 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.529 -5.874 -1.652 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.554 -4.918 2.153 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.179 -7.389 1.438 1.00 10.00 H new ATOM 0 HE2 HIS A 39 6.385 -5.989 3.228 1.00 10.00 H new ATOM 646 N PRO A 40 10.866 -7.733 0.947 1.00 10.00 N ATOM 647 CA PRO A 40 10.938 -9.155 1.264 1.00 10.00 C ATOM 648 C PRO A 40 9.709 -9.964 0.825 1.00 10.00 C ATOM 649 O PRO A 40 9.849 -11.100 0.381 1.00 10.00 O ATOM 650 CB PRO A 40 11.187 -9.219 2.775 1.00 10.00 C ATOM 651 CG PRO A 40 12.018 -7.961 3.009 1.00 10.00 C ATOM 652 CD PRO A 40 11.351 -6.952 2.076 1.00 10.00 C ATOM 0 HA PRO A 40 11.741 -9.630 0.700 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.257 -9.206 3.343 1.00 10.00 H new ATOM 0 HB3 PRO A 40 11.724 -10.123 3.063 1.00 10.00 H new ATOM 0 HG2 PRO A 40 11.983 -7.638 4.049 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.068 -8.115 2.758 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.533 -6.435 2.577 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.059 -6.189 1.751 1.00 10.00 H new ATOM 660 N GLY A 41 8.504 -9.390 0.928 1.00 10.00 N ATOM 661 CA GLY A 41 7.285 -10.046 0.467 1.00 10.00 C ATOM 662 C GLY A 41 7.237 -10.252 -1.056 1.00 10.00 C ATOM 663 O GLY A 41 6.573 -11.174 -1.520 1.00 10.00 O ATOM 0 H GLY A 41 8.352 -8.465 1.331 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.194 -11.014 0.960 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.424 -9.451 0.772 1.00 10.00 H new ATOM 667 N GLY A 42 7.892 -9.386 -1.841 1.00 10.00 N ATOM 668 CA GLY A 42 7.796 -9.401 -3.299 1.00 10.00 C ATOM 669 C GLY A 42 6.519 -8.727 -3.800 1.00 10.00 C ATOM 670 O GLY A 42 5.662 -8.325 -3.007 1.00 10.00 O ATOM 0 H GLY A 42 8.504 -8.655 -1.478 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.663 -8.895 -3.724 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.824 -10.432 -3.653 1.00 10.00 H new ATOM 674 N GLU A 43 6.410 -8.598 -5.129 1.00 10.00 N ATOM 675 CA GLU A 43 5.282 -7.964 -5.795 1.00 10.00 C ATOM 676 C GLU A 43 4.012 -8.777 -5.548 1.00 10.00 C ATOM 677 O GLU A 43 3.084 -8.252 -4.945 1.00 10.00 O ATOM 678 CB GLU A 43 5.606 -7.723 -7.284 1.00 10.00 C ATOM 679 CG GLU A 43 4.534 -6.958 -8.084 1.00 10.00 C ATOM 680 CD GLU A 43 3.641 -7.806 -8.985 1.00 10.00 C ATOM 681 OE1 GLU A 43 3.344 -8.950 -8.592 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.208 -7.274 -10.036 1.00 10.00 O ATOM 0 H GLU A 43 7.120 -8.940 -5.776 1.00 10.00 H new ATOM 0 HA GLU A 43 5.095 -6.976 -5.374 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.544 -7.172 -7.348 1.00 10.00 H new ATOM 0 HB3 GLU A 43 5.770 -8.689 -7.762 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.900 -6.419 -7.380 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.033 -6.210 -8.700 1.00 10.00 H new ATOM 689 N GLU A 44 3.982 -10.053 -5.950 1.00 10.00 N ATOM 690 CA GLU A 44 2.787 -10.895 -5.966 1.00 10.00 C ATOM 691 C GLU A 44 1.885 -10.690 -4.742 1.00 10.00 C ATOM 692 O GLU A 44 0.720 -10.306 -4.859 1.00 10.00 O ATOM 693 CB GLU A 44 3.194 -12.371 -6.089 1.00 10.00 C ATOM 694 CG GLU A 44 4.011 -12.665 -7.356 1.00 10.00 C ATOM 695 CD GLU A 44 4.247 -14.162 -7.505 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.902 -14.718 -6.598 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.758 -14.724 -8.508 1.00 10.00 O ATOM 0 H GLU A 44 4.815 -10.540 -6.282 1.00 10.00 H new ATOM 0 HA GLU A 44 2.198 -10.596 -6.833 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.777 -12.655 -5.213 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.297 -12.991 -6.090 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.484 -12.285 -8.231 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.967 -12.143 -7.308 1.00 10.00 H new ATOM 704 N VAL A 45 2.418 -10.940 -3.546 1.00 10.00 N ATOM 705 CA VAL A 45 1.620 -10.880 -2.330 1.00 10.00 C ATOM 706 C VAL A 45 1.180 -9.434 -2.030 1.00 10.00 C ATOM 707 O VAL A 45 0.065 -9.206 -1.558 1.00 10.00 O ATOM 708 CB VAL A 45 2.396 -11.542 -1.176 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.590 -10.701 -0.712 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.478 -11.858 0.010 1.00 10.00 C ATOM 0 H VAL A 45 3.397 -11.185 -3.397 1.00 10.00 H new ATOM 0 HA VAL A 45 0.696 -11.443 -2.461 1.00 10.00 H new ATOM 0 HB VAL A 45 2.788 -12.478 -1.573 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.102 -11.214 0.103 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.281 -10.561 -1.543 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.238 -9.730 -0.365 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.059 -12.324 0.806 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.031 -10.935 0.380 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.690 -12.540 -0.311 1.00 10.00 H new ATOM 720 N LEU A 46 2.026 -8.438 -2.322 1.00 10.00 N ATOM 721 CA LEU A 46 1.612 -7.042 -2.233 1.00 10.00 C ATOM 722 C LEU A 46 0.511 -6.759 -3.250 1.00 10.00 C ATOM 723 O LEU A 46 -0.414 -6.016 -2.956 1.00 10.00 O ATOM 724 CB LEU A 46 2.788 -6.075 -2.465 1.00 10.00 C ATOM 725 CG LEU A 46 3.751 -5.928 -1.280 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.925 -5.041 -1.703 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.082 -5.245 -0.086 1.00 10.00 C ATOM 0 H LEU A 46 2.992 -8.576 -2.619 1.00 10.00 H new ATOM 0 HA LEU A 46 1.238 -6.877 -1.223 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.353 -6.416 -3.333 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.387 -5.092 -2.712 1.00 10.00 H new ATOM 0 HG LEU A 46 4.072 -6.929 -0.991 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.616 -4.930 -0.868 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.444 -5.501 -2.544 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.552 -4.060 -1.999 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.797 -5.160 0.732 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.745 -4.250 -0.378 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.227 -5.837 0.240 1.00 10.00 H new ATOM 739 N ARG A 47 0.604 -7.338 -4.444 1.00 10.00 N ATOM 740 CA ARG A 47 -0.270 -7.068 -5.568 1.00 10.00 C ATOM 741 C ARG A 47 -1.669 -7.592 -5.282 1.00 10.00 C ATOM 742 O ARG A 47 -2.652 -6.898 -5.526 1.00 10.00 O ATOM 743 CB ARG A 47 0.336 -7.695 -6.824 1.00 10.00 C ATOM 744 CG ARG A 47 -0.567 -7.483 -8.037 1.00 10.00 C ATOM 745 CD ARG A 47 0.298 -7.596 -9.284 1.00 10.00 C ATOM 746 NE ARG A 47 -0.507 -7.480 -10.499 1.00 10.00 N ATOM 747 CZ ARG A 47 -0.022 -7.078 -11.681 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.292 -6.901 -11.858 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.884 -6.835 -12.672 1.00 10.00 N ATOM 0 H ARG A 47 1.319 -8.033 -4.657 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.361 -5.994 -5.730 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.316 -7.258 -7.016 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.489 -8.762 -6.663 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.363 -8.227 -8.055 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.046 -6.505 -7.991 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.059 -6.816 -9.273 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.821 -8.552 -9.281 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.497 -7.719 -10.443 1.00 10.00 H new ATOM 0 HH11 ARG A 47 1.938 -7.073 -11.088 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.648 -6.595 -12.763 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.885 -6.957 -12.519 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.541 -6.528 -13.582 1.00 10.00 H new ATOM 763 N GLU A 48 -1.735 -8.805 -4.736 1.00 10.00 N ATOM 764 CA GLU A 48 -2.938 -9.401 -4.173 1.00 10.00 C ATOM 765 C GLU A 48 -3.642 -8.409 -3.230 1.00 10.00 C ATOM 766 O GLU A 48 -4.860 -8.255 -3.259 1.00 10.00 O ATOM 767 CB GLU A 48 -2.484 -10.666 -3.432 1.00 10.00 C ATOM 768 CG GLU A 48 -3.606 -11.484 -2.772 1.00 10.00 C ATOM 769 CD GLU A 48 -4.489 -12.235 -3.767 1.00 10.00 C ATOM 770 OE1 GLU A 48 -4.177 -12.191 -4.976 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.452 -12.869 -3.285 1.00 10.00 O ATOM 0 H GLU A 48 -0.922 -9.418 -4.673 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.664 -9.652 -4.947 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.955 -11.309 -4.136 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.767 -10.378 -2.663 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.162 -12.201 -2.081 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.230 -10.815 -2.179 1.00 10.00 H new ATOM 778 N GLN A 49 -2.856 -7.739 -2.383 1.00 10.00 N ATOM 779 CA GLN A 49 -3.335 -6.798 -1.376 1.00 10.00 C ATOM 780 C GLN A 49 -3.678 -5.436 -1.992 1.00 10.00 C ATOM 781 O GLN A 49 -4.567 -4.731 -1.518 1.00 10.00 O ATOM 782 CB GLN A 49 -2.239 -6.650 -0.304 1.00 10.00 C ATOM 783 CG GLN A 49 -2.596 -7.341 1.016 1.00 10.00 C ATOM 784 CD GLN A 49 -2.873 -8.840 0.922 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.670 -9.357 1.698 1.00 10.00 O ATOM 786 NE2 GLN A 49 -2.206 -9.574 0.036 1.00 10.00 N ATOM 0 H GLN A 49 -1.841 -7.841 -2.382 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.254 -7.180 -0.931 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.307 -7.067 -0.685 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.062 -5.591 -0.117 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -1.779 -7.184 1.720 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.476 -6.853 1.435 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.547 -9.129 -0.602 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -2.354 -10.582 -0.005 1.00 10.00 H new ATOM 795 N ALA A 50 -2.904 -5.031 -2.996 1.00 10.00 N ATOM 796 CA ALA A 50 -2.968 -3.713 -3.604 1.00 10.00 C ATOM 797 C ALA A 50 -4.303 -3.487 -4.316 1.00 10.00 C ATOM 798 O ALA A 50 -5.036 -4.421 -4.638 1.00 10.00 O ATOM 799 CB ALA A 50 -1.784 -3.517 -4.553 1.00 10.00 C ATOM 0 H ALA A 50 -2.196 -5.632 -3.418 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.903 -2.965 -2.814 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.840 -2.526 -5.005 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.852 -3.610 -3.996 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.816 -4.275 -5.336 1.00 10.00 H new ATOM 805 N GLY A 51 -4.618 -2.216 -4.564 1.00 10.00 N ATOM 806 CA GLY A 51 -5.949 -1.735 -4.880 1.00 10.00 C ATOM 807 C GLY A 51 -6.984 -2.428 -4.026 1.00 10.00 C ATOM 808 O GLY A 51 -7.994 -2.938 -4.504 1.00 10.00 O ATOM 0 H GLY A 51 -3.922 -1.471 -4.548 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.000 -0.658 -4.719 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.164 -1.910 -5.934 1.00 10.00 H new ATOM 812 N GLY A 52 -6.712 -2.380 -2.726 1.00 10.00 N ATOM 813 CA GLY A 52 -7.600 -2.816 -1.700 1.00 10.00 C ATOM 814 C GLY A 52 -6.940 -2.408 -0.395 1.00 10.00 C ATOM 815 O GLY A 52 -5.887 -1.759 -0.355 1.00 10.00 O ATOM 0 H GLY A 52 -5.829 -2.020 -2.364 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.581 -2.352 -1.806 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.751 -3.895 -1.743 1.00 10.00 H new ATOM 819 N ASP A 53 -7.603 -2.794 0.673 1.00 10.00 N ATOM 820 CA ASP A 53 -7.119 -2.679 2.027 1.00 10.00 C ATOM 821 C ASP A 53 -6.095 -3.770 2.304 1.00 10.00 C ATOM 822 O ASP A 53 -6.254 -4.925 1.919 1.00 10.00 O ATOM 823 CB ASP A 53 -8.289 -2.726 3.017 1.00 10.00 C ATOM 824 CG ASP A 53 -9.048 -4.040 2.920 1.00 10.00 C ATOM 825 OD1 ASP A 53 -9.579 -4.293 1.815 1.00 10.00 O ATOM 826 OD2 ASP A 53 -9.081 -4.747 3.950 1.00 10.00 O ATOM 0 H ASP A 53 -8.531 -3.213 0.617 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.624 -1.717 2.156 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -7.914 -2.595 4.032 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.968 -1.897 2.819 1.00 10.00 H new ATOM 831 N ALA A 54 -5.015 -3.375 2.975 1.00 10.00 N ATOM 832 CA ALA A 54 -3.988 -4.288 3.454 1.00 10.00 C ATOM 833 C ALA A 54 -3.617 -3.940 4.895 1.00 10.00 C ATOM 834 O ALA A 54 -2.528 -4.277 5.358 1.00 10.00 O ATOM 835 CB ALA A 54 -2.788 -4.206 2.511 1.00 10.00 C ATOM 0 H ALA A 54 -4.829 -2.398 3.203 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.352 -5.315 3.458 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.008 -4.885 2.855 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.096 -4.488 1.504 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.403 -3.186 2.500 1.00 10.00 H new ATOM 841 N THR A 55 -4.520 -3.258 5.609 1.00 10.00 N ATOM 842 CA THR A 55 -4.252 -2.752 6.944 1.00 10.00 C ATOM 843 C THR A 55 -3.994 -3.909 7.909 1.00 10.00 C ATOM 844 O THR A 55 -2.973 -3.927 8.596 1.00 10.00 O ATOM 845 CB THR A 55 -5.417 -1.868 7.420 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.697 -0.823 6.505 1.00 10.00 O ATOM 847 CG2 THR A 55 -5.047 -1.210 8.748 1.00 10.00 C ATOM 0 H THR A 55 -5.458 -3.045 5.269 1.00 10.00 H new ATOM 0 HA THR A 55 -3.353 -2.136 6.919 1.00 10.00 H new ATOM 0 HB THR A 55 -6.290 -2.514 7.514 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.316 -1.044 5.629 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.872 -0.583 9.086 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.848 -1.981 9.493 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.156 -0.596 8.614 1.00 10.00 H new ATOM 855 N GLU A 56 -4.925 -4.870 7.950 1.00 10.00 N ATOM 856 CA GLU A 56 -4.841 -6.036 8.798 1.00 10.00 C ATOM 857 C GLU A 56 -3.546 -6.752 8.457 1.00 10.00 C ATOM 858 O GLU A 56 -2.680 -6.860 9.306 1.00 10.00 O ATOM 859 CB GLU A 56 -6.091 -6.902 8.586 1.00 10.00 C ATOM 860 CG GLU A 56 -6.151 -8.083 9.558 1.00 10.00 C ATOM 861 CD GLU A 56 -7.450 -8.854 9.376 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.539 -9.568 8.355 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.338 -8.685 10.240 1.00 10.00 O ATOM 0 H GLU A 56 -5.769 -4.846 7.378 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.819 -5.781 9.858 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.982 -6.287 8.710 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.102 -7.276 7.562 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.301 -8.745 9.389 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -6.075 -7.722 10.584 1.00 10.00 H new ATOM 870 N ASN A 57 -3.376 -7.155 7.197 1.00 10.00 N ATOM 871 CA ASN A 57 -2.201 -7.892 6.744 1.00 10.00 C ATOM 872 C ASN A 57 -0.896 -7.196 7.161 1.00 10.00 C ATOM 873 O ASN A 57 0.006 -7.816 7.719 1.00 10.00 O ATOM 874 CB ASN A 57 -2.299 -8.089 5.226 1.00 10.00 C ATOM 875 CG ASN A 57 -1.384 -9.204 4.736 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.291 -9.398 5.251 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.802 -9.930 3.704 1.00 10.00 N ATOM 0 H ASN A 57 -4.056 -6.977 6.458 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.178 -8.870 7.225 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.329 -8.320 4.956 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.039 -7.158 4.722 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.208 -10.667 3.325 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.717 -9.750 3.291 1.00 10.00 H new ATOM 884 N PHE A 58 -0.802 -5.883 6.922 1.00 10.00 N ATOM 885 CA PHE A 58 0.351 -5.090 7.324 1.00 10.00 C ATOM 886 C PHE A 58 0.628 -5.217 8.827 1.00 10.00 C ATOM 887 O PHE A 58 1.743 -5.563 9.217 1.00 10.00 O ATOM 888 CB PHE A 58 0.132 -3.626 6.925 1.00 10.00 C ATOM 889 CG PHE A 58 1.282 -2.696 7.261 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.516 -2.847 6.605 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.096 -1.632 8.166 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.550 -1.920 6.823 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.120 -0.689 8.363 1.00 10.00 C ATOM 894 CZ PHE A 58 3.349 -0.833 7.691 1.00 10.00 C ATOM 0 H PHE A 58 -1.526 -5.346 6.444 1.00 10.00 H new ATOM 0 HA PHE A 58 1.231 -5.472 6.806 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.052 -3.580 5.852 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.768 -3.260 7.419 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.670 -3.677 5.932 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.167 -1.541 8.708 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.499 -2.043 6.323 1.00 10.00 H new ATOM 0 HE2 PHE A 58 1.964 0.146 9.030 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.136 -0.109 7.842 1.00 10.00 H new ATOM 904 N GLU A 59 -0.373 -4.914 9.658 1.00 10.00 N ATOM 905 CA GLU A 59 -0.231 -4.878 11.110 1.00 10.00 C ATOM 906 C GLU A 59 0.115 -6.272 11.640 1.00 10.00 C ATOM 907 O GLU A 59 1.112 -6.474 12.330 1.00 10.00 O ATOM 908 CB GLU A 59 -1.548 -4.349 11.706 1.00 10.00 C ATOM 909 CG GLU A 59 -1.434 -3.945 13.184 1.00 10.00 C ATOM 910 CD GLU A 59 -0.373 -2.879 13.405 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.319 -1.923 12.595 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.460 -3.055 14.323 1.00 10.00 O ATOM 0 H GLU A 59 -1.313 -4.685 9.335 1.00 10.00 H new ATOM 0 HA GLU A 59 0.583 -4.215 11.403 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.879 -3.487 11.127 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.317 -5.115 11.605 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -2.398 -3.575 13.534 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.194 -4.824 13.782 1.00 10.00 H new ATOM 919 N ASP A 60 -0.736 -7.225 11.273 1.00 10.00 N ATOM 920 CA ASP A 60 -0.614 -8.664 11.457 1.00 10.00 C ATOM 921 C ASP A 60 0.836 -9.120 11.270 1.00 10.00 C ATOM 922 O ASP A 60 1.436 -9.695 12.175 1.00 10.00 O ATOM 923 CB ASP A 60 -1.542 -9.362 10.453 1.00 10.00 C ATOM 924 CG ASP A 60 -1.418 -10.870 10.581 1.00 10.00 C ATOM 925 OD1 ASP A 60 -0.538 -11.412 9.877 1.00 10.00 O ATOM 926 OD2 ASP A 60 -2.180 -11.447 11.386 1.00 10.00 O ATOM 0 H ASP A 60 -1.606 -6.986 10.797 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.905 -8.930 12.473 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.574 -9.059 10.630 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.289 -9.054 9.438 1.00 10.00 H new ATOM 931 N HIS A 61 1.428 -8.796 10.115 1.00 10.00 N ATOM 932 CA HIS A 61 2.803 -9.158 9.784 1.00 10.00 C ATOM 933 C HIS A 61 3.853 -8.299 10.516 1.00 10.00 C ATOM 934 O HIS A 61 5.012 -8.244 10.101 1.00 10.00 O ATOM 935 CB HIS A 61 2.980 -9.092 8.262 1.00 10.00 C ATOM 936 CG HIS A 61 2.256 -10.174 7.493 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.173 -10.925 7.898 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.636 -10.644 6.267 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.917 -11.818 6.928 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.793 -11.700 5.914 1.00 10.00 N ATOM 0 H HIS A 61 0.958 -8.270 9.379 1.00 10.00 H new ATOM 0 HA HIS A 61 2.977 -10.176 10.133 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.631 -8.121 7.911 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.044 -9.151 8.031 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.660 -10.821 8.774 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.452 -10.262 5.671 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.112 -12.538 6.958 1.00 10.00 H new ATOM 948 N GLY A 62 3.495 -7.644 11.622 1.00 10.00 N ATOM 949 CA GLY A 62 4.421 -6.932 12.483 1.00 10.00 C ATOM 950 C GLY A 62 4.866 -5.621 11.848 1.00 10.00 C ATOM 951 O GLY A 62 4.377 -4.564 12.237 1.00 10.00 O ATOM 0 H GLY A 62 2.529 -7.597 11.945 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.947 -6.731 13.444 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.292 -7.557 12.681 1.00 10.00 H new ATOM 955 N HIS A 63 5.798 -5.707 10.894 1.00 10.00 N ATOM 956 CA HIS A 63 6.435 -4.598 10.189 1.00 10.00 C ATOM 957 C HIS A 63 7.185 -3.624 11.112 1.00 10.00 C ATOM 958 O HIS A 63 6.596 -2.977 11.979 1.00 10.00 O ATOM 959 CB HIS A 63 5.433 -3.898 9.267 1.00 10.00 C ATOM 960 CG HIS A 63 5.186 -4.705 8.021 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.131 -5.553 7.775 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.005 -4.734 6.930 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.296 -6.045 6.532 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.428 -5.571 5.974 1.00 10.00 N ATOM 0 H HIS A 63 6.147 -6.611 10.576 1.00 10.00 H new ATOM 0 HA HIS A 63 7.218 -5.028 9.564 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.493 -3.745 9.797 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.811 -2.912 8.996 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.366 -5.769 8.415 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.939 -4.201 6.825 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.613 -6.727 6.048 1.00 10.00 H new ATOM 972 N SER A 64 8.502 -3.502 10.933 1.00 10.00 N ATOM 973 CA SER A 64 9.331 -2.703 11.825 1.00 10.00 C ATOM 974 C SER A 64 8.994 -1.209 11.746 1.00 10.00 C ATOM 975 O SER A 64 8.328 -0.735 10.823 1.00 10.00 O ATOM 976 CB SER A 64 10.822 -2.943 11.561 1.00 10.00 C ATOM 977 OG SER A 64 11.568 -2.345 12.609 1.00 10.00 O ATOM 0 H SER A 64 9.015 -3.950 10.174 1.00 10.00 H new ATOM 0 HA SER A 64 9.108 -3.030 12.841 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.030 -4.012 11.510 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.110 -2.516 10.600 1.00 10.00 H new ATOM 0 HG SER A 64 11.851 -1.447 12.338 1.00 10.00 H new ATOM 983 N THR A 65 9.505 -0.463 12.726 1.00 10.00 N ATOM 984 CA THR A 65 9.416 0.990 12.792 1.00 10.00 C ATOM 985 C THR A 65 9.918 1.596 11.482 1.00 10.00 C ATOM 986 O THR A 65 9.260 2.454 10.906 1.00 10.00 O ATOM 987 CB THR A 65 10.211 1.502 14.002 1.00 10.00 C ATOM 988 OG1 THR A 65 11.582 1.153 13.925 1.00 10.00 O ATOM 989 CG2 THR A 65 9.639 0.958 15.316 1.00 10.00 C ATOM 0 H THR A 65 10.006 -0.868 13.517 1.00 10.00 H new ATOM 0 HA THR A 65 8.378 1.296 12.923 1.00 10.00 H new ATOM 0 HB THR A 65 10.122 2.588 13.985 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.052 1.499 14.712 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.224 1.339 16.153 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.603 1.279 15.422 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.683 -0.131 15.309 1.00 10.00 H new ATOM 997 N ASP A 66 11.046 1.094 10.989 1.00 10.00 N ATOM 998 CA ASP A 66 11.607 1.334 9.667 1.00 10.00 C ATOM 999 C ASP A 66 10.520 1.320 8.585 1.00 10.00 C ATOM 1000 O ASP A 66 10.318 2.301 7.875 1.00 10.00 O ATOM 1001 CB ASP A 66 12.671 0.257 9.372 1.00 10.00 C ATOM 1002 CG ASP A 66 13.614 -0.001 10.541 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.088 -0.485 11.575 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.817 0.290 10.390 1.00 10.00 O ATOM 0 H ASP A 66 11.631 0.467 11.541 1.00 10.00 H new ATOM 0 HA ASP A 66 12.065 2.323 9.654 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.170 -0.674 9.107 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.256 0.563 8.504 1.00 10.00 H new ATOM 1009 N ALA A 67 9.814 0.192 8.458 1.00 10.00 N ATOM 1010 CA ALA A 67 8.794 -0.055 7.457 1.00 10.00 C ATOM 1011 C ALA A 67 7.626 0.909 7.650 1.00 10.00 C ATOM 1012 O ALA A 67 7.071 1.440 6.691 1.00 10.00 O ATOM 1013 CB ALA A 67 8.318 -1.510 7.549 1.00 10.00 C ATOM 0 H ALA A 67 9.951 -0.603 9.082 1.00 10.00 H new ATOM 0 HA ALA A 67 9.215 0.111 6.465 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.552 -1.691 6.795 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.161 -2.180 7.378 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.903 -1.695 8.540 1.00 10.00 H new ATOM 1019 N ARG A 68 7.258 1.129 8.909 1.00 10.00 N ATOM 1020 CA ARG A 68 6.289 2.131 9.321 1.00 10.00 C ATOM 1021 C ARG A 68 6.675 3.512 8.758 1.00 10.00 C ATOM 1022 O ARG A 68 5.936 4.090 7.961 1.00 10.00 O ATOM 1023 CB ARG A 68 6.183 2.084 10.858 1.00 10.00 C ATOM 1024 CG ARG A 68 4.907 1.379 11.339 1.00 10.00 C ATOM 1025 CD ARG A 68 5.025 -0.143 11.183 1.00 10.00 C ATOM 1026 NE ARG A 68 3.746 -0.801 11.505 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.489 -1.565 12.581 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.474 -2.070 13.322 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.229 -1.810 12.927 1.00 10.00 N ATOM 0 H ARG A 68 7.639 0.597 9.691 1.00 10.00 H new ATOM 0 HA ARG A 68 5.299 1.925 8.915 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.054 1.568 11.263 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.203 3.100 11.251 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.722 1.627 12.384 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.051 1.741 10.769 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.318 -0.387 10.162 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.809 -0.521 11.839 1.00 10.00 H new ATOM 0 HE ARG A 68 2.980 -0.663 10.846 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.446 -1.879 13.077 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.257 -2.647 14.134 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.464 -1.419 12.377 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.027 -2.389 13.742 1.00 10.00 H new ATOM 1043 N GLU A 69 7.839 4.036 9.137 1.00 10.00 N ATOM 1044 CA GLU A 69 8.418 5.274 8.631 1.00 10.00 C ATOM 1045 C GLU A 69 8.368 5.305 7.098 1.00 10.00 C ATOM 1046 O GLU A 69 7.854 6.251 6.497 1.00 10.00 O ATOM 1047 CB GLU A 69 9.852 5.426 9.184 1.00 10.00 C ATOM 1048 CG GLU A 69 10.193 6.877 9.560 1.00 10.00 C ATOM 1049 CD GLU A 69 9.313 7.411 10.682 1.00 10.00 C ATOM 1050 OE1 GLU A 69 8.894 6.622 11.560 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.920 8.597 10.623 1.00 10.00 O ATOM 0 H GLU A 69 8.429 3.587 9.837 1.00 10.00 H new ATOM 0 HA GLU A 69 7.835 6.128 8.975 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.967 4.791 10.062 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.564 5.071 8.439 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.238 6.934 9.864 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.081 7.512 8.681 1.00 10.00 H new ATOM 1058 N LEU A 70 8.841 4.231 6.463 1.00 10.00 N ATOM 1059 CA LEU A 70 8.774 4.080 5.019 1.00 10.00 C ATOM 1060 C LEU A 70 7.356 4.317 4.502 1.00 10.00 C ATOM 1061 O LEU A 70 7.150 5.075 3.557 1.00 10.00 O ATOM 1062 CB LEU A 70 9.282 2.692 4.581 1.00 10.00 C ATOM 1063 CG LEU A 70 10.693 2.669 3.975 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.930 3.836 3.008 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.761 2.648 5.069 1.00 10.00 C ATOM 0 H LEU A 70 9.280 3.444 6.941 1.00 10.00 H new ATOM 0 HA LEU A 70 9.426 4.836 4.581 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.265 2.028 5.445 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.584 2.282 3.851 1.00 10.00 H new ATOM 0 HG LEU A 70 10.772 1.749 3.396 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.941 3.776 2.606 1.00 10.00 H new ATOM 0 HD12 LEU A 70 10.211 3.783 2.191 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.806 4.780 3.539 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.750 2.632 4.612 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.663 3.538 5.690 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.632 1.759 5.686 1.00 10.00 H new ATOM 1077 N SER A 71 6.362 3.705 5.146 1.00 10.00 N ATOM 1078 CA SER A 71 4.981 3.884 4.746 1.00 10.00 C ATOM 1079 C SER A 71 4.628 5.370 4.776 1.00 10.00 C ATOM 1080 O SER A 71 3.996 5.860 3.842 1.00 10.00 O ATOM 1081 CB SER A 71 4.053 2.958 5.556 1.00 10.00 C ATOM 1082 OG SER A 71 3.572 3.551 6.746 1.00 10.00 O ATOM 0 H SER A 71 6.495 3.084 5.944 1.00 10.00 H new ATOM 0 HA SER A 71 4.830 3.572 3.713 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.206 2.669 4.934 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.591 2.044 5.806 1.00 10.00 H new ATOM 0 HG SER A 71 4.324 3.736 7.347 1.00 10.00 H new ATOM 1088 N LYS A 72 5.090 6.107 5.792 1.00 10.00 N ATOM 1089 CA LYS A 72 4.785 7.533 5.888 1.00 10.00 C ATOM 1090 C LYS A 72 5.201 8.228 4.601 1.00 10.00 C ATOM 1091 O LYS A 72 4.401 8.906 3.961 1.00 10.00 O ATOM 1092 CB LYS A 72 5.467 8.204 7.085 1.00 10.00 C ATOM 1093 CG LYS A 72 5.199 7.447 8.381 1.00 10.00 C ATOM 1094 CD LYS A 72 5.799 8.230 9.555 1.00 10.00 C ATOM 1095 CE LYS A 72 5.791 7.412 10.854 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.735 7.965 11.846 1.00 10.00 N ATOM 0 H LYS A 72 5.669 5.743 6.549 1.00 10.00 H new ATOM 0 HA LYS A 72 3.710 7.627 6.040 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.541 8.257 6.910 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.109 9.229 7.181 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.126 7.317 8.525 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.637 6.450 8.331 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.822 8.518 9.314 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.235 9.151 9.703 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.785 7.402 11.273 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.055 6.377 10.636 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.384 7.217 12.162 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.281 8.737 11.413 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.205 8.332 12.662 1.00 10.00 H new ATOM 1110 N THR A 73 6.451 8.009 4.202 1.00 10.00 N ATOM 1111 CA THR A 73 6.969 8.641 2.992 1.00 10.00 C ATOM 1112 C THR A 73 6.315 8.112 1.710 1.00 10.00 C ATOM 1113 O THR A 73 6.496 8.729 0.662 1.00 10.00 O ATOM 1114 CB THR A 73 8.506 8.639 2.929 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.919 9.588 1.967 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.143 7.297 2.578 1.00 10.00 C ATOM 0 H THR A 73 7.115 7.408 4.690 1.00 10.00 H new ATOM 0 HA THR A 73 6.676 9.689 3.057 1.00 10.00 H new ATOM 0 HB THR A 73 8.842 8.878 3.938 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.295 9.581 1.211 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.228 7.403 2.559 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.864 6.555 3.326 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.793 6.974 1.598 1.00 10.00 H new ATOM 1124 N PHE A 74 5.585 6.993 1.774 1.00 10.00 N ATOM 1125 CA PHE A 74 4.805 6.473 0.654 1.00 10.00 C ATOM 1126 C PHE A 74 3.353 6.973 0.663 1.00 10.00 C ATOM 1127 O PHE A 74 2.624 6.698 -0.292 1.00 10.00 O ATOM 1128 CB PHE A 74 4.756 4.943 0.693 1.00 10.00 C ATOM 1129 CG PHE A 74 6.049 4.164 0.807 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.259 4.631 0.258 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.979 2.861 1.325 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.400 3.808 0.282 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.089 2.009 1.258 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.315 2.501 0.798 1.00 10.00 C ATOM 0 H PHE A 74 5.521 6.420 2.615 1.00 10.00 H new ATOM 0 HA PHE A 74 5.305 6.831 -0.246 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.125 4.657 1.535 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.250 4.608 -0.213 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.311 5.617 -0.180 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.063 2.513 1.778 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.341 4.179 -0.096 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.999 0.976 1.560 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.196 1.878 0.839 1.00 10.00 H new ATOM 1144 N ILE A 75 2.890 7.626 1.739 1.00 10.00 N ATOM 1145 CA ILE A 75 1.530 8.184 1.760 1.00 10.00 C ATOM 1146 C ILE A 75 1.298 9.089 0.549 1.00 10.00 C ATOM 1147 O ILE A 75 2.080 10.008 0.309 1.00 10.00 O ATOM 1148 CB ILE A 75 1.228 8.946 3.069 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.018 7.930 4.196 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.031 9.828 2.961 1.00 10.00 C ATOM 1151 CD1 ILE A 75 1.094 8.557 5.591 1.00 10.00 C ATOM 0 H ILE A 75 3.427 7.779 2.593 1.00 10.00 H new ATOM 0 HA ILE A 75 0.840 7.342 1.710 1.00 10.00 H new ATOM 0 HB ILE A 75 2.076 9.599 3.272 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.046 7.453 4.071 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.771 7.146 4.115 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.198 10.341 3.908 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.107 10.564 2.169 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.894 9.204 2.730 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.937 7.786 6.345 1.00 10.00 H new ATOM 0 HD12 ILE A 75 2.075 9.010 5.733 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.324 9.322 5.689 1.00 10.00 H new ATOM 1163 N ILE A 76 0.188 8.867 -0.163 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.292 9.775 -1.201 1.00 10.00 C ATOM 1165 C ILE A 76 -1.696 10.307 -0.897 1.00 10.00 C ATOM 1166 O ILE A 76 -2.131 11.263 -1.536 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.230 9.108 -2.590 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -1.234 7.952 -2.758 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.192 8.612 -2.887 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -2.523 8.398 -3.454 1.00 10.00 C ATOM 0 H ILE A 76 -0.404 8.046 -0.032 1.00 10.00 H new ATOM 0 HA ILE A 76 0.375 10.637 -1.211 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.511 9.878 -3.308 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.770 7.152 -3.335 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.477 7.539 -1.779 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.216 8.144 -3.871 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.883 9.455 -2.869 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.488 7.884 -2.132 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -3.198 7.548 -3.549 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -3.003 9.179 -2.864 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -2.286 8.785 -4.445 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.439 9.686 0.025 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.888 9.851 0.050 1.00 10.00 C ATOM 1184 C GLY A 77 -4.504 9.295 1.316 1.00 10.00 C ATOM 1185 O GLY A 77 -3.791 8.794 2.185 1.00 10.00 O ATOM 0 H GLY A 77 -2.065 9.075 0.751 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.133 10.909 -0.037 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.324 9.351 -0.815 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.840 9.318 1.361 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.607 8.456 2.229 1.00 10.00 C ATOM 1191 C GLU A 78 -7.805 7.931 1.454 1.00 10.00 C ATOM 1192 O GLU A 78 -8.204 8.527 0.456 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.187 9.230 3.416 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.225 9.907 4.395 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.903 10.076 5.759 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.810 10.931 5.831 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -6.553 9.326 6.701 1.00 10.00 O ATOM 0 H GLU A 78 -6.410 9.942 0.790 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.943 7.665 2.579 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.848 10.000 3.017 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.809 8.541 3.987 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.320 9.309 4.501 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.922 10.879 4.007 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.393 6.864 1.981 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.609 6.240 1.508 1.00 10.00 C ATOM 1206 C LEU A 79 -10.789 7.184 1.717 1.00 10.00 C ATOM 1207 O LEU A 79 -11.043 7.635 2.834 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.806 4.936 2.283 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.549 3.846 1.505 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.253 2.964 2.529 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.617 4.323 0.525 1.00 10.00 C ATOM 0 H LEU A 79 -8.007 6.389 2.797 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.541 6.023 0.442 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.830 4.553 2.580 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -10.356 5.151 3.199 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.790 3.347 0.902 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.796 2.172 2.014 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.514 2.522 3.198 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.953 3.566 3.108 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.072 3.462 0.035 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.383 4.880 1.064 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.160 4.968 -0.226 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.489 7.515 0.635 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.475 8.576 0.649 1.00 10.00 C ATOM 1225 C HIS A 80 -13.668 8.280 1.554 1.00 10.00 C ATOM 1226 O HIS A 80 -14.313 7.266 1.364 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.967 8.860 -0.766 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.822 10.091 -0.793 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.198 10.151 -0.754 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.349 11.287 -0.347 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.530 11.378 -0.312 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.435 12.107 -0.047 1.00 10.00 N ATOM 0 H HIS A 80 -11.385 7.054 -0.269 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.973 9.453 1.058 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.115 8.988 -1.434 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.536 8.008 -1.136 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.308 11.555 -0.243 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.544 11.729 -0.187 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.404 13.065 0.302 1.00 10.00 H new