USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 842 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 Single : A 9 MET CE :methyl 158:sc= -1.63 (180deg=-3.35!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 12 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.79) USER MOD Single : A 13 MET CE :methyl -159:sc= -0.254 (180deg=-0.947) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.25) USER MOD Single : A 24 TYR OH : rot 178:sc= 1.02 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0302) USER MOD Single : A 47 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.09) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= -2! (180deg=-3.2!) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00231) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 1.1 (180deg=0.965) USER MOD Single : A 74 GLN : amide:sc= -0.216 K(o=-0.22,f=-0.88) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.1) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 89 SER OG : rot 81:sc= 1.25 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-5.5e-05) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HE2:sc= 0.887 K(o=0.89,f=-4.3!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.0199 (180deg=-0.235) USER MOD Single : A 103 THR OG1 : rot 77:sc= 1.31 USER MOD Single : A 105 SER OG : rot 63:sc= 1.27 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 75:sc= 0.39 USER MOD Single : A 111 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0.026) USER MOD Single : A 114 LYS NZ :NH3+ -115:sc= 1.1 (180deg=-0.758) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -0.903 10.992 -9.146 1.00 0.00 N ATOM 82 CA LEU A 6 -0.241 10.585 -7.913 1.00 0.00 C ATOM 83 C LEU A 6 -1.235 9.910 -6.976 1.00 0.00 C ATOM 84 O LEU A 6 -0.866 9.107 -6.117 1.00 0.00 O ATOM 85 CB LEU A 6 0.394 11.805 -7.230 1.00 0.00 C ATOM 86 CG LEU A 6 1.156 11.511 -5.935 1.00 0.00 C ATOM 87 CD1 LEU A 6 2.297 10.539 -6.193 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.684 12.802 -5.324 1.00 0.00 C ATOM 0 HA LEU A 6 0.545 9.870 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.078 12.279 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.392 12.528 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 6 0.466 11.050 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.826 10.343 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.897 9.605 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.987 10.972 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.223 12.575 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.358 13.289 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.850 13.467 -5.101 1.00 0.00 H new ATOM 100 N LEU A 7 -2.505 10.224 -7.166 1.00 0.00 N ATOM 101 CA LEU A 7 -3.549 9.727 -6.288 1.00 0.00 C ATOM 102 C LEU A 7 -3.838 8.252 -6.553 1.00 0.00 C ATOM 103 O LEU A 7 -4.068 7.489 -5.627 1.00 0.00 O ATOM 104 CB LEU A 7 -4.825 10.551 -6.471 1.00 0.00 C ATOM 105 CG LEU A 7 -5.935 10.263 -5.462 1.00 0.00 C ATOM 106 CD1 LEU A 7 -5.483 10.600 -4.048 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.190 11.037 -5.821 1.00 0.00 C ATOM 0 H LEU A 7 -2.838 10.822 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.201 9.825 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.567 11.608 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.213 10.373 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.163 9.198 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.290 10.387 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.611 9.998 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.223 11.657 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.972 10.821 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.973 12.105 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.528 10.742 -6.814 1.00 0.00 H new ATOM 119 N GLU A 8 -3.781 7.859 -7.820 1.00 0.00 N ATOM 120 CA GLU A 8 -4.188 6.521 -8.239 1.00 0.00 C ATOM 121 C GLU A 8 -3.382 5.409 -7.559 1.00 0.00 C ATOM 122 O GLU A 8 -3.954 4.406 -7.134 1.00 0.00 O ATOM 123 CB GLU A 8 -4.105 6.410 -9.765 1.00 0.00 C ATOM 124 CG GLU A 8 -2.803 6.919 -10.365 1.00 0.00 C ATOM 125 CD GLU A 8 -2.879 7.057 -11.873 1.00 0.00 C ATOM 126 OE1 GLU A 8 -2.624 6.062 -12.581 1.00 0.00 O ATOM 127 OE2 GLU A 8 -3.205 8.164 -12.357 1.00 0.00 O ATOM 0 H GLU A 8 -3.454 8.453 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.221 6.379 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.237 5.366 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.934 6.966 -10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.557 7.886 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.994 6.236 -10.105 1.00 0.00 H new ATOM 134 N MET A 9 -2.065 5.580 -7.447 1.00 0.00 N ATOM 135 CA MET A 9 -1.240 4.590 -6.749 1.00 0.00 C ATOM 136 C MET A 9 -1.662 4.486 -5.289 1.00 0.00 C ATOM 137 O MET A 9 -1.721 3.390 -4.728 1.00 0.00 O ATOM 138 CB MET A 9 0.256 4.919 -6.826 1.00 0.00 C ATOM 139 CG MET A 9 0.837 4.842 -8.227 1.00 0.00 C ATOM 140 SD MET A 9 0.598 6.367 -9.155 1.00 0.00 S ATOM 141 CE MET A 9 1.650 7.481 -8.228 1.00 0.00 C ATOM 0 H MET A 9 -1.553 6.378 -7.822 1.00 0.00 H new ATOM 0 HA MET A 9 -1.397 3.635 -7.251 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.417 5.923 -6.432 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.802 4.232 -6.180 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.903 4.622 -8.164 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.372 4.016 -8.765 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.929 8.326 -8.857 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.113 7.843 -7.351 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.549 6.953 -7.911 1.00 0.00 H new ATOM 151 N THR A 10 -1.962 5.629 -4.686 1.00 0.00 N ATOM 152 CA THR A 10 -2.446 5.670 -3.314 1.00 0.00 C ATOM 153 C THR A 10 -3.794 4.961 -3.210 1.00 0.00 C ATOM 154 O THR A 10 -3.991 4.101 -2.352 1.00 0.00 O ATOM 155 CB THR A 10 -2.589 7.127 -2.820 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.348 7.825 -2.996 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.990 7.171 -1.350 1.00 0.00 C ATOM 0 H THR A 10 -1.878 6.544 -5.129 1.00 0.00 H new ATOM 0 HA THR A 10 -1.717 5.159 -2.685 1.00 0.00 H new ATOM 0 HB THR A 10 -3.371 7.608 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.445 8.748 -2.682 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.083 8.209 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.945 6.663 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.228 6.673 -0.750 1.00 0.00 H new ATOM 165 N GLU A 11 -4.697 5.311 -4.118 1.00 0.00 N ATOM 166 CA GLU A 11 -6.040 4.747 -4.155 1.00 0.00 C ATOM 167 C GLU A 11 -6.001 3.230 -4.287 1.00 0.00 C ATOM 168 O GLU A 11 -6.746 2.517 -3.610 1.00 0.00 O ATOM 169 CB GLU A 11 -6.826 5.357 -5.319 1.00 0.00 C ATOM 170 CG GLU A 11 -7.071 6.846 -5.164 1.00 0.00 C ATOM 171 CD GLU A 11 -7.599 7.203 -3.793 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.814 7.058 -3.560 1.00 0.00 O ATOM 173 OE2 GLU A 11 -6.799 7.623 -2.936 1.00 0.00 O ATOM 0 H GLU A 11 -4.517 5.996 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.537 4.988 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.283 5.180 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.784 4.846 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.141 7.385 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.782 7.175 -5.921 1.00 0.00 H new ATOM 180 N GLN A 12 -5.126 2.741 -5.154 1.00 0.00 N ATOM 181 CA GLN A 12 -4.991 1.313 -5.369 1.00 0.00 C ATOM 182 C GLN A 12 -4.424 0.639 -4.124 1.00 0.00 C ATOM 183 O GLN A 12 -4.876 -0.436 -3.732 1.00 0.00 O ATOM 184 CB GLN A 12 -4.100 1.029 -6.582 1.00 0.00 C ATOM 185 CG GLN A 12 -4.093 -0.435 -7.004 1.00 0.00 C ATOM 186 CD GLN A 12 -5.471 -0.937 -7.398 1.00 0.00 C ATOM 187 OE1 GLN A 12 -6.304 -0.181 -7.896 1.00 0.00 O ATOM 188 NE2 GLN A 12 -5.722 -2.218 -7.176 1.00 0.00 N ATOM 0 H GLN A 12 -4.500 3.315 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.981 0.902 -5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.437 1.639 -7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.080 1.337 -6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.410 -0.564 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.709 -1.043 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.005 -2.814 -6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.632 -2.609 -7.420 1.00 0.00 H new ATOM 197 N MET A 13 -3.450 1.287 -3.490 1.00 0.00 N ATOM 198 CA MET A 13 -2.834 0.743 -2.287 1.00 0.00 C ATOM 199 C MET A 13 -3.845 0.713 -1.143 1.00 0.00 C ATOM 200 O MET A 13 -3.857 -0.222 -0.340 1.00 0.00 O ATOM 201 CB MET A 13 -1.596 1.556 -1.899 1.00 0.00 C ATOM 202 CG MET A 13 -0.797 0.936 -0.763 1.00 0.00 C ATOM 203 SD MET A 13 0.725 1.837 -0.403 1.00 0.00 S ATOM 204 CE MET A 13 1.579 1.717 -1.970 1.00 0.00 C ATOM 0 H MET A 13 -3.073 2.186 -3.789 1.00 0.00 H new ATOM 0 HA MET A 13 -2.515 -0.279 -2.491 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.951 1.661 -2.772 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.906 2.560 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.415 0.904 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.552 -0.095 -1.018 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.646 1.880 -1.816 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.421 0.726 -2.395 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.191 2.472 -2.654 1.00 0.00 H new ATOM 214 N ILE A 14 -4.699 1.736 -1.081 1.00 0.00 N ATOM 215 CA ILE A 14 -5.803 1.765 -0.120 1.00 0.00 C ATOM 216 C ILE A 14 -6.660 0.513 -0.272 1.00 0.00 C ATOM 217 O ILE A 14 -6.979 -0.166 0.707 1.00 0.00 O ATOM 218 CB ILE A 14 -6.712 3.007 -0.322 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.959 4.310 -0.026 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.955 2.912 0.554 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.723 4.568 1.449 1.00 0.00 C ATOM 0 H ILE A 14 -4.647 2.556 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.361 1.811 0.875 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.016 3.022 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.997 4.285 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.521 5.145 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.579 3.792 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.518 2.017 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.659 2.859 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.185 5.508 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.681 4.627 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.133 3.754 1.871 1.00 0.00 H new ATOM 233 N GLU A 15 -7.007 0.206 -1.517 1.00 0.00 N ATOM 234 CA GLU A 15 -7.867 -0.926 -1.822 1.00 0.00 C ATOM 235 C GLU A 15 -7.187 -2.243 -1.473 1.00 0.00 C ATOM 236 O GLU A 15 -7.804 -3.119 -0.877 1.00 0.00 O ATOM 237 CB GLU A 15 -8.256 -0.919 -3.301 1.00 0.00 C ATOM 238 CG GLU A 15 -9.256 -2.006 -3.659 1.00 0.00 C ATOM 239 CD GLU A 15 -9.508 -2.121 -5.146 1.00 0.00 C ATOM 240 OE1 GLU A 15 -9.876 -1.105 -5.772 1.00 0.00 O ATOM 241 OE2 GLU A 15 -9.365 -3.240 -5.691 1.00 0.00 O ATOM 0 H GLU A 15 -6.702 0.732 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.768 -0.832 -1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.679 0.053 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.359 -1.045 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.892 -2.963 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.199 -1.803 -3.152 1.00 0.00 H new ATOM 248 N VAL A 16 -5.919 -2.380 -1.844 1.00 0.00 N ATOM 249 CA VAL A 16 -5.179 -3.613 -1.582 1.00 0.00 C ATOM 250 C VAL A 16 -5.067 -3.871 -0.082 1.00 0.00 C ATOM 251 O VAL A 16 -5.195 -5.007 0.367 1.00 0.00 O ATOM 252 CB VAL A 16 -3.764 -3.582 -2.209 1.00 0.00 C ATOM 253 CG1 VAL A 16 -2.998 -4.860 -1.893 1.00 0.00 C ATOM 254 CG2 VAL A 16 -3.848 -3.373 -3.712 1.00 0.00 C ATOM 0 H VAL A 16 -5.383 -1.658 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.740 -4.423 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.222 -2.744 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.007 -4.812 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.899 -4.967 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.539 -5.717 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.843 -3.354 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.415 -4.188 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.347 -2.426 -3.920 1.00 0.00 H new ATOM 264 N ALA A 17 -4.845 -2.813 0.691 1.00 0.00 N ATOM 265 CA ALA A 17 -4.771 -2.935 2.142 1.00 0.00 C ATOM 266 C ALA A 17 -6.116 -3.376 2.711 1.00 0.00 C ATOM 267 O ALA A 17 -6.203 -4.379 3.422 1.00 0.00 O ATOM 268 CB ALA A 17 -4.330 -1.618 2.768 1.00 0.00 C ATOM 0 H ALA A 17 -4.714 -1.865 0.338 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.029 -3.695 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.281 -1.729 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.346 -1.345 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.047 -0.837 2.515 1.00 0.00 H new ATOM 274 N GLU A 18 -7.163 -2.627 2.377 1.00 0.00 N ATOM 275 CA GLU A 18 -8.513 -2.934 2.824 1.00 0.00 C ATOM 276 C GLU A 18 -8.950 -4.340 2.411 1.00 0.00 C ATOM 277 O GLU A 18 -9.344 -5.155 3.249 1.00 0.00 O ATOM 278 CB GLU A 18 -9.483 -1.915 2.238 1.00 0.00 C ATOM 279 CG GLU A 18 -9.529 -0.593 2.983 1.00 0.00 C ATOM 280 CD GLU A 18 -10.627 0.312 2.465 1.00 0.00 C ATOM 281 OE1 GLU A 18 -11.580 -0.203 1.841 1.00 0.00 O ATOM 282 OE2 GLU A 18 -10.545 1.542 2.672 1.00 0.00 O ATOM 0 H GLU A 18 -7.098 -1.794 1.791 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.519 -2.889 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.208 -1.724 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.483 -2.348 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.685 -0.781 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.568 -0.089 2.886 1.00 0.00 H new ATOM 289 N LYS A 19 -8.872 -4.616 1.118 1.00 0.00 N ATOM 290 CA LYS A 19 -9.346 -5.876 0.563 1.00 0.00 C ATOM 291 C LYS A 19 -8.426 -7.032 0.927 1.00 0.00 C ATOM 292 O LYS A 19 -8.875 -8.168 1.047 1.00 0.00 O ATOM 293 CB LYS A 19 -9.503 -5.751 -0.956 1.00 0.00 C ATOM 294 CG LYS A 19 -10.890 -5.280 -1.372 1.00 0.00 C ATOM 295 CD LYS A 19 -10.951 -4.870 -2.837 1.00 0.00 C ATOM 296 CE LYS A 19 -10.620 -6.019 -3.777 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.672 -5.590 -5.201 1.00 0.00 N ATOM 0 H LYS A 19 -8.480 -3.977 0.426 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.320 -6.096 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.758 -5.052 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.299 -6.717 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.611 -6.078 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.186 -4.436 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.949 -4.494 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.254 -4.050 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.626 -6.403 -3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.323 -6.836 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.360 -6.372 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.647 -5.326 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.046 -4.771 -5.340 1.00 0.00 H new ATOM 311 N GLY A 20 -7.149 -6.740 1.122 1.00 0.00 N ATOM 312 CA GLY A 20 -6.213 -7.764 1.542 1.00 0.00 C ATOM 313 C GLY A 20 -6.513 -8.251 2.943 1.00 0.00 C ATOM 314 O GLY A 20 -6.592 -9.458 3.188 1.00 0.00 O ATOM 0 H GLY A 20 -6.743 -5.813 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.255 -8.603 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.198 -7.368 1.503 1.00 0.00 H new ATOM 318 N ALA A 21 -6.699 -7.309 3.859 1.00 0.00 N ATOM 319 CA ALA A 21 -7.045 -7.637 5.235 1.00 0.00 C ATOM 320 C ALA A 21 -8.399 -8.332 5.298 1.00 0.00 C ATOM 321 O ALA A 21 -8.590 -9.279 6.060 1.00 0.00 O ATOM 322 CB ALA A 21 -7.055 -6.383 6.089 1.00 0.00 C ATOM 0 H ALA A 21 -6.616 -6.310 3.673 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.291 -8.320 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.315 -6.644 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.067 -5.923 6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.790 -5.681 5.695 1.00 0.00 H new ATOM 328 N ASP A 22 -9.334 -7.855 4.485 1.00 0.00 N ATOM 329 CA ASP A 22 -10.664 -8.449 4.405 1.00 0.00 C ATOM 330 C ASP A 22 -10.588 -9.877 3.872 1.00 0.00 C ATOM 331 O ASP A 22 -11.239 -10.779 4.389 1.00 0.00 O ATOM 332 CB ASP A 22 -11.568 -7.602 3.507 1.00 0.00 C ATOM 333 CG ASP A 22 -12.957 -8.189 3.364 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.745 -8.092 4.327 1.00 0.00 O ATOM 335 OD2 ASP A 22 -13.265 -8.751 2.297 1.00 0.00 O ATOM 0 H ASP A 22 -9.195 -7.054 3.869 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.086 -8.478 5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.643 -6.595 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.112 -7.510 2.521 1.00 0.00 H new ATOM 340 N ARG A 23 -9.763 -10.070 2.852 1.00 0.00 N ATOM 341 CA ARG A 23 -9.558 -11.383 2.240 1.00 0.00 C ATOM 342 C ARG A 23 -8.954 -12.356 3.254 1.00 0.00 C ATOM 343 O ARG A 23 -9.302 -13.542 3.297 1.00 0.00 O ATOM 344 CB ARG A 23 -8.636 -11.220 1.029 1.00 0.00 C ATOM 345 CG ARG A 23 -8.498 -12.448 0.142 1.00 0.00 C ATOM 346 CD ARG A 23 -7.634 -12.120 -1.066 1.00 0.00 C ATOM 347 NE ARG A 23 -7.425 -13.261 -1.957 1.00 0.00 N ATOM 348 CZ ARG A 23 -6.467 -13.305 -2.890 1.00 0.00 C ATOM 349 NH1 ARG A 23 -5.677 -12.256 -3.090 1.00 0.00 N ATOM 350 NH2 ARG A 23 -6.325 -14.380 -3.655 1.00 0.00 N ATOM 0 H ARG A 23 -9.216 -9.324 2.423 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.514 -11.793 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.005 -10.394 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.645 -10.936 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.053 -13.267 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.482 -12.784 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.100 -11.310 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.666 -11.754 -0.723 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.043 -14.067 -1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.799 -11.412 -2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.948 -12.295 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.948 -15.178 -3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.593 -14.408 -4.365 1.00 0.00 H new ATOM 364 N TYR A 24 -8.058 -11.839 4.082 1.00 0.00 N ATOM 365 CA TYR A 24 -7.445 -12.630 5.137 1.00 0.00 C ATOM 366 C TYR A 24 -8.462 -12.920 6.243 1.00 0.00 C ATOM 367 O TYR A 24 -8.455 -13.999 6.837 1.00 0.00 O ATOM 368 CB TYR A 24 -6.224 -11.896 5.702 1.00 0.00 C ATOM 369 CG TYR A 24 -5.473 -12.681 6.754 1.00 0.00 C ATOM 370 CD1 TYR A 24 -4.987 -13.953 6.481 1.00 0.00 C ATOM 371 CD2 TYR A 24 -5.250 -12.148 8.017 1.00 0.00 C ATOM 372 CE1 TYR A 24 -4.303 -14.676 7.438 1.00 0.00 C ATOM 373 CE2 TYR A 24 -4.566 -12.864 8.982 1.00 0.00 C ATOM 374 CZ TYR A 24 -4.092 -14.125 8.687 1.00 0.00 C ATOM 375 OH TYR A 24 -3.415 -14.846 9.647 1.00 0.00 O ATOM 0 H TYR A 24 -7.739 -10.871 4.042 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.115 -13.581 4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.544 -11.659 4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.548 -10.948 6.132 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.147 -14.384 5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.617 -11.159 8.249 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.935 -15.666 7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.404 -12.438 9.961 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.322 -14.304 10.458 1.00 0.00 H new ATOM 385 N GLN A 25 -9.348 -11.961 6.496 1.00 0.00 N ATOM 386 CA GLN A 25 -10.394 -12.128 7.503 1.00 0.00 C ATOM 387 C GLN A 25 -11.471 -13.092 6.997 1.00 0.00 C ATOM 388 O GLN A 25 -12.166 -13.736 7.790 1.00 0.00 O ATOM 389 CB GLN A 25 -11.012 -10.773 7.872 1.00 0.00 C ATOM 390 CG GLN A 25 -12.017 -10.859 9.006 1.00 0.00 C ATOM 391 CD GLN A 25 -12.556 -9.506 9.418 1.00 0.00 C ATOM 392 OE1 GLN A 25 -13.550 -9.031 8.870 1.00 0.00 O ATOM 393 NE2 GLN A 25 -11.921 -8.888 10.402 1.00 0.00 N ATOM 0 H GLN A 25 -9.363 -11.060 6.018 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.944 -12.552 8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.216 -10.083 8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.502 -10.354 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.846 -11.498 8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.547 -11.335 9.867 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.100 -9.318 10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.253 -7.982 10.733 1.00 0.00 H new ATOM 635 N LYS A 41 1.409 -14.046 -9.015 1.00 0.00 N ATOM 636 CA LYS A 41 2.201 -13.564 -10.145 1.00 0.00 C ATOM 637 C LYS A 41 1.749 -12.169 -10.587 1.00 0.00 C ATOM 638 O LYS A 41 2.554 -11.240 -10.568 1.00 0.00 O ATOM 639 CB LYS A 41 2.177 -14.552 -11.326 1.00 0.00 C ATOM 640 CG LYS A 41 2.896 -14.040 -12.568 1.00 0.00 C ATOM 641 CD LYS A 41 2.794 -15.023 -13.722 1.00 0.00 C ATOM 642 CE LYS A 41 3.412 -14.462 -14.996 1.00 0.00 C ATOM 643 NZ LYS A 41 4.877 -14.237 -14.868 1.00 0.00 N ATOM 0 HA LYS A 41 3.233 -13.491 -9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.635 -15.490 -11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.141 -14.773 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.469 -13.083 -12.867 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.945 -13.862 -12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.295 -15.953 -13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.747 -15.266 -13.902 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.224 -15.150 -15.820 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.924 -13.521 -15.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.263 -13.936 -15.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.054 -13.498 -14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.339 -15.120 -14.571 1.00 0.00 H new ATOM 657 N PRO A 42 0.457 -11.968 -10.952 1.00 0.00 N ATOM 658 CA PRO A 42 -0.012 -10.662 -11.437 1.00 0.00 C ATOM 659 C PRO A 42 0.095 -9.592 -10.360 1.00 0.00 C ATOM 660 O PRO A 42 0.660 -8.525 -10.585 1.00 0.00 O ATOM 661 CB PRO A 42 -1.480 -10.905 -11.810 1.00 0.00 C ATOM 662 CG PRO A 42 -1.628 -12.385 -11.894 1.00 0.00 C ATOM 663 CD PRO A 42 -0.648 -12.946 -10.907 1.00 0.00 C ATOM 0 HA PRO A 42 0.586 -10.300 -12.274 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.150 -10.485 -11.060 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.728 -10.431 -12.760 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.646 -12.691 -11.653 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.418 -12.743 -12.902 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.079 -13.024 -9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.316 -13.945 -11.190 1.00 0.00 H new ATOM 671 N ALA A 43 -0.434 -9.905 -9.179 1.00 0.00 N ATOM 672 CA ALA A 43 -0.398 -8.987 -8.051 1.00 0.00 C ATOM 673 C ALA A 43 1.035 -8.584 -7.720 1.00 0.00 C ATOM 674 O ALA A 43 1.308 -7.424 -7.452 1.00 0.00 O ATOM 675 CB ALA A 43 -1.066 -9.617 -6.838 1.00 0.00 C ATOM 0 H ALA A 43 -0.894 -10.794 -8.981 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.947 -8.086 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.032 -8.920 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.104 -9.850 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.541 -10.533 -6.568 1.00 0.00 H new ATOM 681 N VAL A 44 1.947 -9.548 -7.782 1.00 0.00 N ATOM 682 CA VAL A 44 3.350 -9.297 -7.475 1.00 0.00 C ATOM 683 C VAL A 44 3.933 -8.243 -8.413 1.00 0.00 C ATOM 684 O VAL A 44 4.583 -7.292 -7.974 1.00 0.00 O ATOM 685 CB VAL A 44 4.188 -10.590 -7.581 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.639 -10.337 -7.193 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.586 -11.690 -6.715 1.00 0.00 C ATOM 0 H VAL A 44 1.739 -10.512 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 44 3.393 -8.931 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 44 4.170 -10.918 -8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.205 -11.265 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.068 -9.588 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.683 -9.977 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.190 -12.593 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.568 -11.365 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.569 -11.900 -7.048 1.00 0.00 H new ATOM 697 N GLU A 45 3.678 -8.408 -9.704 1.00 0.00 N ATOM 698 CA GLU A 45 4.188 -7.489 -10.707 1.00 0.00 C ATOM 699 C GLU A 45 3.512 -6.125 -10.614 1.00 0.00 C ATOM 700 O GLU A 45 4.156 -5.088 -10.793 1.00 0.00 O ATOM 701 CB GLU A 45 3.992 -8.079 -12.096 1.00 0.00 C ATOM 702 CG GLU A 45 4.876 -9.283 -12.371 1.00 0.00 C ATOM 703 CD GLU A 45 4.812 -9.733 -13.814 1.00 0.00 C ATOM 704 OE1 GLU A 45 5.503 -9.128 -14.657 1.00 0.00 O ATOM 705 OE2 GLU A 45 4.071 -10.694 -14.111 1.00 0.00 O ATOM 0 H GLU A 45 3.119 -9.173 -10.080 1.00 0.00 H new ATOM 0 HA GLU A 45 5.252 -7.344 -10.521 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.948 -8.369 -12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.196 -7.310 -12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.907 -9.038 -12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.574 -10.106 -11.724 1.00 0.00 H new ATOM 712 N GLU A 46 2.212 -6.128 -10.352 1.00 0.00 N ATOM 713 CA GLU A 46 1.470 -4.897 -10.171 1.00 0.00 C ATOM 714 C GLU A 46 1.960 -4.136 -8.940 1.00 0.00 C ATOM 715 O GLU A 46 2.242 -2.941 -9.017 1.00 0.00 O ATOM 716 CB GLU A 46 -0.022 -5.194 -10.034 1.00 0.00 C ATOM 717 CG GLU A 46 -0.831 -4.969 -11.306 1.00 0.00 C ATOM 718 CD GLU A 46 -0.584 -6.011 -12.381 1.00 0.00 C ATOM 719 OE1 GLU A 46 -1.296 -7.041 -12.385 1.00 0.00 O ATOM 720 OE2 GLU A 46 0.281 -5.784 -13.251 1.00 0.00 O ATOM 0 H GLU A 46 1.651 -6.975 -10.261 1.00 0.00 H new ATOM 0 HA GLU A 46 1.634 -4.274 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.146 -6.230 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.433 -4.568 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.892 -4.964 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.594 -3.984 -11.707 1.00 0.00 H new ATOM 727 N ASN A 47 2.075 -4.838 -7.816 1.00 0.00 N ATOM 728 CA ASN A 47 2.460 -4.220 -6.546 1.00 0.00 C ATOM 729 C ASN A 47 3.886 -3.684 -6.596 1.00 0.00 C ATOM 730 O ASN A 47 4.176 -2.635 -6.018 1.00 0.00 O ATOM 731 CB ASN A 47 2.324 -5.212 -5.383 1.00 0.00 C ATOM 732 CG ASN A 47 0.881 -5.584 -5.075 1.00 0.00 C ATOM 733 OD1 ASN A 47 0.598 -6.688 -4.615 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.043 -4.667 -5.323 1.00 0.00 N ATOM 0 H ASN A 47 1.906 -5.842 -7.757 1.00 0.00 H new ATOM 0 HA ASN A 47 1.780 -3.385 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.883 -6.117 -5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.779 -4.781 -4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.025 -4.867 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.227 -3.761 -5.705 1.00 0.00 H new ATOM 741 N ASP A 48 4.767 -4.404 -7.286 1.00 0.00 N ATOM 742 CA ASP A 48 6.161 -3.986 -7.434 1.00 0.00 C ATOM 743 C ASP A 48 6.258 -2.573 -8.003 1.00 0.00 C ATOM 744 O ASP A 48 6.841 -1.682 -7.380 1.00 0.00 O ATOM 745 CB ASP A 48 6.919 -4.958 -8.341 1.00 0.00 C ATOM 746 CG ASP A 48 8.301 -4.449 -8.706 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.206 -4.497 -7.846 1.00 0.00 O ATOM 748 OD2 ASP A 48 8.483 -3.981 -9.846 1.00 0.00 O ATOM 0 H ASP A 48 4.541 -5.282 -7.753 1.00 0.00 H new ATOM 0 HA ASP A 48 6.613 -3.992 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.010 -5.922 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.344 -5.125 -9.252 1.00 0.00 H new ATOM 753 N GLU A 49 5.668 -2.368 -9.173 1.00 0.00 N ATOM 754 CA GLU A 49 5.692 -1.060 -9.812 1.00 0.00 C ATOM 755 C GLU A 49 4.769 -0.086 -9.097 1.00 0.00 C ATOM 756 O GLU A 49 4.995 1.120 -9.123 1.00 0.00 O ATOM 757 CB GLU A 49 5.294 -1.157 -11.282 1.00 0.00 C ATOM 758 CG GLU A 49 6.289 -1.911 -12.143 1.00 0.00 C ATOM 759 CD GLU A 49 5.982 -1.771 -13.617 1.00 0.00 C ATOM 760 OE1 GLU A 49 6.340 -0.729 -14.207 1.00 0.00 O ATOM 761 OE2 GLU A 49 5.365 -2.692 -14.194 1.00 0.00 O ATOM 0 H GLU A 49 5.169 -3.087 -9.697 1.00 0.00 H new ATOM 0 HA GLU A 49 6.715 -0.688 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.323 -1.647 -11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.173 -0.150 -11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.294 -1.540 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.279 -2.966 -11.869 1.00 0.00 H new ATOM 768 N LEU A 50 3.727 -0.609 -8.466 1.00 0.00 N ATOM 769 CA LEU A 50 2.786 0.222 -7.724 1.00 0.00 C ATOM 770 C LEU A 50 3.513 0.963 -6.613 1.00 0.00 C ATOM 771 O LEU A 50 3.436 2.187 -6.515 1.00 0.00 O ATOM 772 CB LEU A 50 1.679 -0.642 -7.119 1.00 0.00 C ATOM 773 CG LEU A 50 0.412 0.106 -6.712 1.00 0.00 C ATOM 774 CD1 LEU A 50 -0.357 0.548 -7.946 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.457 -0.766 -5.820 1.00 0.00 C ATOM 0 H LEU A 50 3.511 -1.606 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 50 2.342 0.942 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.409 -1.414 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.078 -1.151 -6.241 1.00 0.00 H new ATOM 0 HG LEU A 50 0.697 0.994 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.258 1.080 -7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.268 1.208 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.633 -0.326 -8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.356 -0.217 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.738 -1.671 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.099 -1.036 -4.922 1.00 0.00 H new ATOM 787 N ALA A 51 4.236 0.210 -5.793 1.00 0.00 N ATOM 788 CA ALA A 51 4.993 0.782 -4.691 1.00 0.00 C ATOM 789 C ALA A 51 6.128 1.656 -5.206 1.00 0.00 C ATOM 790 O ALA A 51 6.388 2.726 -4.666 1.00 0.00 O ATOM 791 CB ALA A 51 5.541 -0.318 -3.798 1.00 0.00 C ATOM 0 H ALA A 51 4.313 -0.804 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 51 4.319 1.407 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.105 0.126 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.715 -0.904 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.196 -0.966 -4.380 1.00 0.00 H new ATOM 797 N ALA A 52 6.789 1.198 -6.265 1.00 0.00 N ATOM 798 CA ALA A 52 7.902 1.935 -6.849 1.00 0.00 C ATOM 799 C ALA A 52 7.443 3.274 -7.422 1.00 0.00 C ATOM 800 O ALA A 52 8.114 4.291 -7.257 1.00 0.00 O ATOM 801 CB ALA A 52 8.576 1.105 -7.928 1.00 0.00 C ATOM 0 H ALA A 52 6.572 0.319 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 52 8.621 2.138 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.406 1.668 -8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.952 0.179 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.855 0.871 -8.711 1.00 0.00 H new ATOM 807 N ARG A 53 6.296 3.271 -8.091 1.00 0.00 N ATOM 808 CA ARG A 53 5.750 4.478 -8.679 1.00 0.00 C ATOM 809 C ARG A 53 5.161 5.388 -7.608 1.00 0.00 C ATOM 810 O ARG A 53 5.231 6.614 -7.713 1.00 0.00 O ATOM 811 CB ARG A 53 4.691 4.107 -9.714 1.00 0.00 C ATOM 812 CG ARG A 53 5.166 4.270 -11.149 1.00 0.00 C ATOM 813 CD ARG A 53 5.492 5.720 -11.475 1.00 0.00 C ATOM 814 NE ARG A 53 4.290 6.550 -11.533 1.00 0.00 N ATOM 815 CZ ARG A 53 4.292 7.880 -11.471 1.00 0.00 C ATOM 816 NH1 ARG A 53 5.424 8.547 -11.274 1.00 0.00 N ATOM 817 NH2 ARG A 53 3.149 8.546 -11.595 1.00 0.00 N ATOM 0 H ARG A 53 5.726 2.438 -8.238 1.00 0.00 H new ATOM 0 HA ARG A 53 6.554 5.025 -9.171 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.385 3.073 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.809 4.728 -9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.050 3.653 -11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.396 3.909 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.171 6.118 -10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.013 5.769 -12.431 1.00 0.00 H new ATOM 0 HE ARG A 53 3.390 6.079 -11.627 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.303 8.040 -11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.414 9.566 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.276 8.038 -11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.145 9.565 -11.548 1.00 0.00 H new ATOM 831 N TRP A 54 4.587 4.781 -6.577 1.00 0.00 N ATOM 832 CA TRP A 54 4.047 5.530 -5.454 1.00 0.00 C ATOM 833 C TRP A 54 5.172 6.229 -4.704 1.00 0.00 C ATOM 834 O TRP A 54 5.104 7.429 -4.443 1.00 0.00 O ATOM 835 CB TRP A 54 3.273 4.605 -4.509 1.00 0.00 C ATOM 836 CG TRP A 54 2.594 5.334 -3.392 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.385 5.960 -3.445 1.00 0.00 C ATOM 838 CD2 TRP A 54 3.082 5.512 -2.058 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.094 6.526 -2.229 1.00 0.00 N ATOM 840 CE2 TRP A 54 2.116 6.260 -1.358 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.239 5.111 -1.384 1.00 0.00 C ATOM 842 CZ2 TRP A 54 2.273 6.616 -0.024 1.00 0.00 C ATOM 843 CZ3 TRP A 54 4.393 5.466 -0.058 1.00 0.00 C ATOM 844 CH2 TRP A 54 3.414 6.210 0.610 1.00 0.00 C ATOM 0 H TRP A 54 4.484 3.769 -6.497 1.00 0.00 H new ATOM 0 HA TRP A 54 3.357 6.282 -5.838 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.526 4.055 -5.081 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.959 3.869 -4.089 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.749 6.004 -4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.252 7.059 -2.010 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.999 4.534 -1.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.521 7.193 0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.284 5.164 0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.563 6.469 1.648 1.00 0.00 H new ATOM 855 N ALA A 55 6.219 5.471 -4.384 1.00 0.00 N ATOM 856 CA ALA A 55 7.371 6.010 -3.678 1.00 0.00 C ATOM 857 C ALA A 55 8.014 7.136 -4.472 1.00 0.00 C ATOM 858 O ALA A 55 8.368 8.167 -3.913 1.00 0.00 O ATOM 859 CB ALA A 55 8.385 4.909 -3.400 1.00 0.00 C ATOM 0 H ALA A 55 6.290 4.478 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 55 7.028 6.417 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.241 5.328 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.923 4.135 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.718 4.474 -4.343 1.00 0.00 H new ATOM 865 N GLU A 56 8.146 6.935 -5.778 1.00 0.00 N ATOM 866 CA GLU A 56 8.699 7.910 -6.670 1.00 0.00 C ATOM 867 C GLU A 56 7.946 9.240 -6.578 1.00 0.00 C ATOM 868 O GLU A 56 8.557 10.304 -6.444 1.00 0.00 O ATOM 869 CB GLU A 56 8.601 7.320 -8.072 1.00 0.00 C ATOM 870 CG GLU A 56 9.170 8.202 -9.133 1.00 0.00 C ATOM 871 CD GLU A 56 9.041 7.609 -10.523 1.00 0.00 C ATOM 872 OE1 GLU A 56 9.952 6.866 -10.946 1.00 0.00 O ATOM 873 OE2 GLU A 56 8.021 7.873 -11.197 1.00 0.00 O ATOM 0 H GLU A 56 7.863 6.071 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 56 9.735 8.129 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.120 6.362 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.554 7.120 -8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.664 9.167 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.222 8.388 -8.919 1.00 0.00 H new ATOM 880 N GLY A 57 6.622 9.168 -6.631 1.00 0.00 N ATOM 881 CA GLY A 57 5.812 10.368 -6.548 1.00 0.00 C ATOM 882 C GLY A 57 5.812 10.974 -5.157 1.00 0.00 C ATOM 883 O GLY A 57 5.903 12.192 -5.005 1.00 0.00 O ATOM 0 H GLY A 57 6.095 8.300 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.184 11.104 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.788 10.132 -6.838 1.00 0.00 H new ATOM 887 N ALA A 58 5.714 10.126 -4.140 1.00 0.00 N ATOM 888 CA ALA A 58 5.707 10.583 -2.756 1.00 0.00 C ATOM 889 C ALA A 58 7.028 11.254 -2.395 1.00 0.00 C ATOM 890 O ALA A 58 7.046 12.290 -1.732 1.00 0.00 O ATOM 891 CB ALA A 58 5.428 9.422 -1.817 1.00 0.00 C ATOM 0 H ALA A 58 5.638 9.115 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 58 4.912 11.321 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.426 9.779 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.456 8.989 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.202 8.663 -1.936 1.00 0.00 H new ATOM 897 N LEU A 59 8.127 10.662 -2.850 1.00 0.00 N ATOM 898 CA LEU A 59 9.453 11.207 -2.631 1.00 0.00 C ATOM 899 C LEU A 59 9.583 12.581 -3.271 1.00 0.00 C ATOM 900 O LEU A 59 10.148 13.502 -2.680 1.00 0.00 O ATOM 901 CB LEU A 59 10.498 10.251 -3.203 1.00 0.00 C ATOM 902 CG LEU A 59 10.834 9.046 -2.321 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.841 8.139 -3.017 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.370 9.502 -0.972 1.00 0.00 C ATOM 0 H LEU A 59 8.119 9.791 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 59 9.617 11.319 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.144 9.887 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.415 10.810 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 59 9.919 8.479 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.068 7.288 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.421 7.783 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.756 8.697 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.603 8.631 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.274 10.093 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.618 10.109 -0.468 1.00 0.00 H new ATOM 916 N GLU A 60 9.043 12.716 -4.474 1.00 0.00 N ATOM 917 CA GLU A 60 9.055 13.988 -5.183 1.00 0.00 C ATOM 918 C GLU A 60 8.253 15.028 -4.398 1.00 0.00 C ATOM 919 O GLU A 60 8.695 16.162 -4.198 1.00 0.00 O ATOM 920 CB GLU A 60 8.459 13.817 -6.585 1.00 0.00 C ATOM 921 CG GLU A 60 8.812 14.949 -7.540 1.00 0.00 C ATOM 922 CD GLU A 60 10.278 14.946 -7.920 1.00 0.00 C ATOM 923 OE1 GLU A 60 11.114 15.384 -7.104 1.00 0.00 O ATOM 924 OE2 GLU A 60 10.604 14.495 -9.039 1.00 0.00 O ATOM 0 H GLU A 60 8.589 11.957 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 60 10.086 14.330 -5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.809 12.875 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.374 13.747 -6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.205 14.863 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.561 15.903 -7.077 1.00 0.00 H new ATOM 931 N LEU A 61 7.080 14.619 -3.932 1.00 0.00 N ATOM 932 CA LEU A 61 6.192 15.507 -3.197 1.00 0.00 C ATOM 933 C LEU A 61 6.853 16.018 -1.918 1.00 0.00 C ATOM 934 O LEU A 61 6.876 17.219 -1.666 1.00 0.00 O ATOM 935 CB LEU A 61 4.880 14.793 -2.858 1.00 0.00 C ATOM 936 CG LEU A 61 3.837 15.648 -2.133 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.410 16.822 -3.004 1.00 0.00 C ATOM 938 CD2 LEU A 61 2.636 14.803 -1.746 1.00 0.00 C ATOM 0 H LEU A 61 6.721 13.672 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 61 5.977 16.364 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.440 14.419 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.107 13.925 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 61 4.286 16.044 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.668 17.419 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.278 17.441 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.977 16.448 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.904 15.425 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.185 14.379 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.956 13.997 -1.085 1.00 0.00 H new ATOM 950 N ILE A 62 7.407 15.110 -1.126 1.00 0.00 N ATOM 951 CA ILE A 62 7.965 15.480 0.172 1.00 0.00 C ATOM 952 C ILE A 62 9.256 16.286 0.038 1.00 0.00 C ATOM 953 O ILE A 62 9.608 17.050 0.936 1.00 0.00 O ATOM 954 CB ILE A 62 8.221 14.249 1.072 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.209 13.284 0.410 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.908 13.546 1.389 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.546 12.075 1.257 1.00 0.00 C ATOM 0 H ILE A 62 7.483 14.119 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 62 7.210 16.107 0.646 1.00 0.00 H new ATOM 0 HB ILE A 62 8.665 14.592 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.792 12.946 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.129 13.822 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.102 12.681 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.243 14.235 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.438 13.218 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.251 11.440 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.994 12.402 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.636 11.512 1.466 1.00 0.00 H new ATOM 969 N LYS A 63 9.969 16.131 -1.073 1.00 0.00 N ATOM 970 CA LYS A 63 11.205 16.880 -1.266 1.00 0.00 C ATOM 971 C LYS A 63 10.907 18.290 -1.777 1.00 0.00 C ATOM 972 O LYS A 63 11.736 19.191 -1.651 1.00 0.00 O ATOM 973 CB LYS A 63 12.179 16.132 -2.195 1.00 0.00 C ATOM 974 CG LYS A 63 11.756 16.056 -3.655 1.00 0.00 C ATOM 975 CD LYS A 63 12.364 17.173 -4.499 1.00 0.00 C ATOM 976 CE LYS A 63 13.827 16.911 -4.851 1.00 0.00 C ATOM 977 NZ LYS A 63 14.733 17.028 -3.677 1.00 0.00 N ATOM 0 H LYS A 63 9.719 15.506 -1.840 1.00 0.00 H new ATOM 0 HA LYS A 63 11.698 16.973 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.153 16.619 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.308 15.117 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.053 15.091 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.669 16.108 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.787 17.285 -5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.287 18.116 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.920 15.912 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.143 17.616 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.689 17.280 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.378 17.766 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.767 16.119 -3.172 1.00 0.00 H new ATOM 991 N VAL A 64 9.726 18.479 -2.352 1.00 0.00 N ATOM 992 CA VAL A 64 9.317 19.796 -2.832 1.00 0.00 C ATOM 993 C VAL A 64 8.460 20.527 -1.795 1.00 0.00 C ATOM 994 O VAL A 64 8.773 21.652 -1.409 1.00 0.00 O ATOM 995 CB VAL A 64 8.539 19.699 -4.163 1.00 0.00 C ATOM 996 CG1 VAL A 64 8.039 21.069 -4.610 1.00 0.00 C ATOM 997 CG2 VAL A 64 9.405 19.077 -5.244 1.00 0.00 C ATOM 0 H VAL A 64 9.036 17.742 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 64 10.231 20.365 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 64 7.673 19.059 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.495 20.969 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.376 21.480 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.888 21.738 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.839 19.017 -6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.292 19.691 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.706 18.075 -4.937 1.00 0.00 H new ATOM 1007 N ARG A 65 7.399 19.873 -1.334 1.00 0.00 N ATOM 1008 CA ARG A 65 6.419 20.499 -0.444 1.00 0.00 C ATOM 1009 C ARG A 65 6.770 20.284 1.037 1.00 0.00 C ATOM 1010 O ARG A 65 6.124 20.852 1.921 1.00 0.00 O ATOM 1011 CB ARG A 65 5.021 19.941 -0.766 1.00 0.00 C ATOM 1012 CG ARG A 65 3.925 20.368 0.201 1.00 0.00 C ATOM 1013 CD ARG A 65 2.556 19.882 -0.247 1.00 0.00 C ATOM 1014 NE ARG A 65 1.611 19.832 0.864 1.00 0.00 N ATOM 1015 CZ ARG A 65 0.730 20.786 1.154 1.00 0.00 C ATOM 1016 NH1 ARG A 65 0.699 21.916 0.453 1.00 0.00 N ATOM 1017 NH2 ARG A 65 -0.118 20.607 2.156 1.00 0.00 N ATOM 0 H ARG A 65 7.192 18.901 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 65 6.431 21.576 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.742 20.256 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.073 18.852 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.143 19.975 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.916 21.455 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.171 20.544 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.649 18.891 -0.691 1.00 0.00 H new ATOM 0 HE ARG A 65 1.627 19.006 1.462 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.355 22.058 -0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.019 22.641 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.092 19.743 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.797 21.333 2.386 1.00 0.00 H new ATOM 1031 N ARG A 66 7.815 19.487 1.285 1.00 0.00 N ATOM 1032 CA ARG A 66 8.248 19.132 2.645 1.00 0.00 C ATOM 1033 C ARG A 66 7.340 18.065 3.255 1.00 0.00 C ATOM 1034 O ARG A 66 6.160 17.970 2.918 1.00 0.00 O ATOM 1035 CB ARG A 66 8.295 20.355 3.574 1.00 0.00 C ATOM 1036 CG ARG A 66 9.465 21.290 3.329 1.00 0.00 C ATOM 1037 CD ARG A 66 9.393 22.501 4.248 1.00 0.00 C ATOM 1038 NE ARG A 66 10.680 23.184 4.348 1.00 0.00 N ATOM 1039 CZ ARG A 66 10.864 24.356 4.951 1.00 0.00 C ATOM 1040 NH1 ARG A 66 9.831 25.038 5.430 1.00 0.00 N ATOM 1041 NH2 ARG A 66 12.091 24.858 5.046 1.00 0.00 N ATOM 0 H ARG A 66 8.386 19.069 0.550 1.00 0.00 H new ATOM 0 HA ARG A 66 9.258 18.733 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.368 20.917 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.334 20.009 4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.402 20.758 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.463 21.617 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.641 23.196 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.071 22.185 5.240 1.00 0.00 H new ATOM 0 HE ARG A 66 11.492 22.733 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.886 24.665 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.982 25.935 5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.883 24.346 4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.240 25.756 5.507 1.00 0.00 H new ATOM 1055 N PRO A 67 7.892 17.226 4.144 1.00 0.00 N ATOM 1056 CA PRO A 67 7.111 16.232 4.883 1.00 0.00 C ATOM 1057 C PRO A 67 6.215 16.893 5.929 1.00 0.00 C ATOM 1058 O PRO A 67 6.633 17.120 7.068 1.00 0.00 O ATOM 1059 CB PRO A 67 8.175 15.351 5.560 1.00 0.00 C ATOM 1060 CG PRO A 67 9.475 15.738 4.936 1.00 0.00 C ATOM 1061 CD PRO A 67 9.314 17.162 4.495 1.00 0.00 C ATOM 0 HA PRO A 67 6.442 15.668 4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 67 8.193 15.516 6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.965 14.293 5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.294 15.640 5.648 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.710 15.092 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.568 17.864 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.953 17.398 3.644 1.00 0.00 H new ATOM 1069 N LYS A 68 4.997 17.227 5.526 1.00 0.00 N ATOM 1070 CA LYS A 68 4.073 17.940 6.395 1.00 0.00 C ATOM 1071 C LYS A 68 3.350 16.973 7.329 1.00 0.00 C ATOM 1072 O LYS A 68 3.456 17.080 8.551 1.00 0.00 O ATOM 1073 CB LYS A 68 3.068 18.727 5.552 1.00 0.00 C ATOM 1074 CG LYS A 68 2.300 19.774 6.340 1.00 0.00 C ATOM 1075 CD LYS A 68 1.426 20.628 5.435 1.00 0.00 C ATOM 1076 CE LYS A 68 0.865 21.831 6.180 1.00 0.00 C ATOM 1077 NZ LYS A 68 -0.062 21.437 7.271 1.00 0.00 N ATOM 0 H LYS A 68 4.626 17.015 4.600 1.00 0.00 H new ATOM 0 HA LYS A 68 4.641 18.638 7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.597 19.216 4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.360 18.031 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.678 19.283 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.001 20.413 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.009 20.968 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.606 20.025 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.687 22.413 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.341 22.479 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.431 22.290 7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.852 20.890 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.447 20.855 7.966 1.00 0.00 H new ATOM 1091 N TYR A 69 2.609 16.039 6.751 1.00 0.00 N ATOM 1092 CA TYR A 69 1.913 15.024 7.535 1.00 0.00 C ATOM 1093 C TYR A 69 2.757 13.764 7.639 1.00 0.00 C ATOM 1094 O TYR A 69 3.065 13.290 8.732 1.00 0.00 O ATOM 1095 CB TYR A 69 0.565 14.667 6.903 1.00 0.00 C ATOM 1096 CG TYR A 69 -0.453 15.783 6.907 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -0.347 16.842 6.023 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.533 15.763 7.783 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -1.286 17.849 6.004 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.477 16.771 7.772 1.00 0.00 C ATOM 1101 CZ TYR A 69 -2.348 17.812 6.878 1.00 0.00 C ATOM 1102 OH TYR A 69 -3.290 18.815 6.846 1.00 0.00 O ATOM 0 H TYR A 69 2.473 15.961 5.743 1.00 0.00 H new ATOM 0 HA TYR A 69 1.742 15.437 8.529 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.735 14.353 5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.147 13.811 7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.486 16.879 5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.635 14.947 8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.189 18.666 5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.310 16.744 8.459 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.975 18.642 7.525 1.00 0.00 H new ATOM 1112 N VAL A 70 3.123 13.230 6.485 1.00 0.00 N ATOM 1113 CA VAL A 70 3.878 11.995 6.411 1.00 0.00 C ATOM 1114 C VAL A 70 5.377 12.281 6.491 1.00 0.00 C ATOM 1115 O VAL A 70 5.830 13.353 6.094 1.00 0.00 O ATOM 1116 CB VAL A 70 3.544 11.236 5.105 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.940 12.048 3.879 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.206 9.872 5.085 1.00 0.00 C ATOM 0 H VAL A 70 2.905 13.641 5.577 1.00 0.00 H new ATOM 0 HA VAL A 70 3.599 11.368 7.258 1.00 0.00 H new ATOM 0 HB VAL A 70 2.464 11.089 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.693 11.489 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.399 12.994 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.012 12.243 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.955 9.359 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.287 9.991 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.852 9.283 5.931 1.00 0.00 H new ATOM 1128 N HIS A 71 6.137 11.333 7.019 1.00 0.00 N ATOM 1129 CA HIS A 71 7.578 11.490 7.135 1.00 0.00 C ATOM 1130 C HIS A 71 8.283 10.661 6.069 1.00 0.00 C ATOM 1131 O HIS A 71 7.724 9.685 5.576 1.00 0.00 O ATOM 1132 CB HIS A 71 8.058 11.081 8.531 1.00 0.00 C ATOM 1133 CG HIS A 71 7.760 12.093 9.594 1.00 0.00 C ATOM 1134 ND1 HIS A 71 6.673 12.012 10.441 1.00 0.00 N ATOM 1135 CD2 HIS A 71 8.430 13.212 9.956 1.00 0.00 C ATOM 1136 CE1 HIS A 71 6.690 13.038 11.272 1.00 0.00 C ATOM 1137 NE2 HIS A 71 7.746 13.778 11.000 1.00 0.00 N ATOM 0 H HIS A 71 5.779 10.446 7.374 1.00 0.00 H new ATOM 0 HA HIS A 71 7.824 12.541 6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.591 10.134 8.803 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.134 10.908 8.499 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.336 13.589 9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.962 13.237 12.044 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.011 14.634 11.488 1.00 0.00 H new ATOM 1146 N LYS A 72 9.509 11.043 5.730 1.00 0.00 N ATOM 1147 CA LYS A 72 10.280 10.355 4.693 1.00 0.00 C ATOM 1148 C LYS A 72 10.445 8.875 5.033 1.00 0.00 C ATOM 1149 O LYS A 72 10.331 8.009 4.164 1.00 0.00 O ATOM 1150 CB LYS A 72 11.654 11.019 4.529 1.00 0.00 C ATOM 1151 CG LYS A 72 12.596 10.286 3.581 1.00 0.00 C ATOM 1152 CD LYS A 72 13.895 11.056 3.386 1.00 0.00 C ATOM 1153 CE LYS A 72 14.895 10.274 2.545 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.369 9.045 3.238 1.00 0.00 N ATOM 0 H LYS A 72 9.996 11.830 6.159 1.00 0.00 H new ATOM 0 HA LYS A 72 9.736 10.431 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.512 12.037 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.128 11.093 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.815 9.294 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.107 10.144 2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.683 12.011 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.334 11.280 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.434 10.000 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.749 10.911 2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.145 8.617 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.709 9.292 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.585 8.366 3.316 1.00 0.00 H new ATOM 1168 N GLU A 73 10.685 8.600 6.310 1.00 0.00 N ATOM 1169 CA GLU A 73 10.867 7.235 6.787 1.00 0.00 C ATOM 1170 C GLU A 73 9.618 6.395 6.537 1.00 0.00 C ATOM 1171 O GLU A 73 9.707 5.186 6.334 1.00 0.00 O ATOM 1172 CB GLU A 73 11.190 7.246 8.278 1.00 0.00 C ATOM 1173 CG GLU A 73 12.419 8.072 8.621 1.00 0.00 C ATOM 1174 CD GLU A 73 12.706 8.095 10.105 1.00 0.00 C ATOM 1175 OE1 GLU A 73 12.070 8.895 10.818 1.00 0.00 O ATOM 1176 OE2 GLU A 73 13.574 7.321 10.558 1.00 0.00 O ATOM 0 H GLU A 73 10.758 9.311 7.038 1.00 0.00 H new ATOM 0 HA GLU A 73 11.696 6.790 6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.333 7.638 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.343 6.221 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.283 7.668 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.277 9.093 8.266 1.00 0.00 H new ATOM 1183 N GLN A 74 8.459 7.046 6.536 1.00 0.00 N ATOM 1184 CA GLN A 74 7.196 6.354 6.333 1.00 0.00 C ATOM 1185 C GLN A 74 7.091 5.823 4.906 1.00 0.00 C ATOM 1186 O GLN A 74 6.711 4.676 4.699 1.00 0.00 O ATOM 1187 CB GLN A 74 6.022 7.282 6.649 1.00 0.00 C ATOM 1188 CG GLN A 74 5.844 7.570 8.135 1.00 0.00 C ATOM 1189 CD GLN A 74 5.638 6.308 8.959 1.00 0.00 C ATOM 1190 OE1 GLN A 74 5.118 5.307 8.470 1.00 0.00 O ATOM 1191 NE2 GLN A 74 6.024 6.353 10.226 1.00 0.00 N ATOM 0 H GLN A 74 8.371 8.053 6.674 1.00 0.00 H new ATOM 0 HA GLN A 74 7.159 5.504 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.165 8.225 6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.105 6.836 6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.721 8.101 8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.989 8.232 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.452 7.200 10.599 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.893 5.540 10.828 1.00 0.00 H new ATOM 1200 N ILE A 75 7.458 6.648 3.926 1.00 0.00 N ATOM 1201 CA ILE A 75 7.432 6.228 2.525 1.00 0.00 C ATOM 1202 C ILE A 75 8.331 5.009 2.322 1.00 0.00 C ATOM 1203 O ILE A 75 7.944 4.033 1.673 1.00 0.00 O ATOM 1204 CB ILE A 75 7.877 7.365 1.558 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.808 8.466 1.459 1.00 0.00 C ATOM 1206 CG2 ILE A 75 8.188 6.814 0.169 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.760 9.408 2.643 1.00 0.00 C ATOM 0 H ILE A 75 7.775 7.606 4.075 1.00 0.00 H new ATOM 0 HA ILE A 75 6.399 5.974 2.289 1.00 0.00 H new ATOM 0 HB ILE A 75 8.785 7.803 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.988 9.048 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.831 7.996 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.496 7.630 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.992 6.082 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.298 6.337 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.978 10.150 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.546 8.842 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.721 9.911 2.747 1.00 0.00 H new ATOM 1219 N GLU A 76 9.515 5.060 2.917 1.00 0.00 N ATOM 1220 CA GLU A 76 10.484 3.983 2.783 1.00 0.00 C ATOM 1221 C GLU A 76 10.024 2.743 3.542 1.00 0.00 C ATOM 1222 O GLU A 76 10.338 1.614 3.164 1.00 0.00 O ATOM 1223 CB GLU A 76 11.852 4.440 3.283 1.00 0.00 C ATOM 1224 CG GLU A 76 12.383 5.654 2.543 1.00 0.00 C ATOM 1225 CD GLU A 76 13.759 6.062 3.012 1.00 0.00 C ATOM 1226 OE1 GLU A 76 14.750 5.470 2.544 1.00 0.00 O ATOM 1227 OE2 GLU A 76 13.857 6.981 3.855 1.00 0.00 O ATOM 0 H GLU A 76 9.827 5.838 3.498 1.00 0.00 H new ATOM 0 HA GLU A 76 10.566 3.723 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.785 4.671 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.562 3.620 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.416 5.439 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.694 6.488 2.679 1.00 0.00 H new ATOM 1234 N ALA A 77 9.272 2.958 4.610 1.00 0.00 N ATOM 1235 CA ALA A 77 8.720 1.859 5.383 1.00 0.00 C ATOM 1236 C ALA A 77 7.587 1.178 4.625 1.00 0.00 C ATOM 1237 O ALA A 77 7.539 -0.046 4.542 1.00 0.00 O ATOM 1238 CB ALA A 77 8.229 2.347 6.737 1.00 0.00 C ATOM 0 H ALA A 77 9.030 3.885 4.961 1.00 0.00 H new ATOM 0 HA ALA A 77 9.514 1.130 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.820 1.508 7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.061 2.783 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.454 3.100 6.593 1.00 0.00 H new ATOM 1244 N VAL A 78 6.690 1.979 4.059 1.00 0.00 N ATOM 1245 CA VAL A 78 5.533 1.457 3.336 1.00 0.00 C ATOM 1246 C VAL A 78 5.950 0.568 2.166 1.00 0.00 C ATOM 1247 O VAL A 78 5.333 -0.464 1.925 1.00 0.00 O ATOM 1248 CB VAL A 78 4.623 2.599 2.824 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.520 2.065 1.921 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.018 3.357 3.994 1.00 0.00 C ATOM 0 H VAL A 78 6.742 2.997 4.087 1.00 0.00 H new ATOM 0 HA VAL A 78 4.970 0.851 4.046 1.00 0.00 H new ATOM 0 HB VAL A 78 5.240 3.280 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.898 2.892 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.964 1.564 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.906 1.356 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.380 4.157 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.424 2.674 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.815 3.784 4.602 1.00 0.00 H new ATOM 1260 N LYS A 79 7.002 0.958 1.453 1.00 0.00 N ATOM 1261 CA LYS A 79 7.480 0.178 0.309 1.00 0.00 C ATOM 1262 C LYS A 79 7.807 -1.251 0.739 1.00 0.00 C ATOM 1263 O LYS A 79 7.395 -2.219 0.096 1.00 0.00 O ATOM 1264 CB LYS A 79 8.716 0.852 -0.314 1.00 0.00 C ATOM 1265 CG LYS A 79 9.191 0.237 -1.633 1.00 0.00 C ATOM 1266 CD LYS A 79 10.091 -0.977 -1.426 1.00 0.00 C ATOM 1267 CE LYS A 79 10.532 -1.573 -2.757 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.411 -2.762 -2.580 1.00 0.00 N ATOM 0 H LYS A 79 7.539 1.804 1.643 1.00 0.00 H new ATOM 0 HA LYS A 79 6.691 0.138 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.491 1.905 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.535 0.811 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.324 -0.055 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.730 0.990 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.968 -0.688 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.560 -1.731 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.652 -1.857 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.062 -0.815 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.685 -3.133 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.264 -2.488 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.898 -3.497 -2.052 1.00 0.00 H new ATOM 1282 N ASP A 80 8.527 -1.369 1.844 1.00 0.00 N ATOM 1283 CA ASP A 80 8.933 -2.668 2.367 1.00 0.00 C ATOM 1284 C ASP A 80 7.743 -3.384 3.003 1.00 0.00 C ATOM 1285 O ASP A 80 7.494 -4.557 2.726 1.00 0.00 O ATOM 1286 CB ASP A 80 10.064 -2.485 3.386 1.00 0.00 C ATOM 1287 CG ASP A 80 10.597 -3.796 3.930 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.430 -4.438 3.249 1.00 0.00 O ATOM 1289 OD2 ASP A 80 10.221 -4.172 5.056 1.00 0.00 O ATOM 0 H ASP A 80 8.845 -0.576 2.401 1.00 0.00 H new ATOM 0 HA ASP A 80 9.297 -3.284 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.880 -1.935 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.703 -1.876 4.214 1.00 0.00 H new ATOM 1294 N ASN A 81 6.998 -2.652 3.831 1.00 0.00 N ATOM 1295 CA ASN A 81 5.823 -3.197 4.514 1.00 0.00 C ATOM 1296 C ASN A 81 4.812 -3.755 3.523 1.00 0.00 C ATOM 1297 O ASN A 81 4.265 -4.834 3.731 1.00 0.00 O ATOM 1298 CB ASN A 81 5.134 -2.124 5.366 1.00 0.00 C ATOM 1299 CG ASN A 81 5.868 -1.817 6.656 1.00 0.00 C ATOM 1300 OD1 ASN A 81 6.532 -2.676 7.230 1.00 0.00 O ATOM 1301 ND2 ASN A 81 5.745 -0.585 7.126 1.00 0.00 N ATOM 0 H ASN A 81 7.189 -1.673 4.046 1.00 0.00 H new ATOM 0 HA ASN A 81 6.179 -4.003 5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.044 -1.209 4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.122 -2.452 5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.211 -0.321 7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.184 0.100 6.620 1.00 0.00 H new ATOM 1308 N PHE A 82 4.571 -3.009 2.451 1.00 0.00 N ATOM 1309 CA PHE A 82 3.570 -3.381 1.459 1.00 0.00 C ATOM 1310 C PHE A 82 3.915 -4.719 0.814 1.00 0.00 C ATOM 1311 O PHE A 82 3.098 -5.638 0.794 1.00 0.00 O ATOM 1312 CB PHE A 82 3.458 -2.291 0.386 1.00 0.00 C ATOM 1313 CG PHE A 82 2.297 -2.473 -0.552 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.995 -2.424 -0.079 1.00 0.00 C ATOM 1315 CD2 PHE A 82 2.508 -2.691 -1.903 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.075 -2.588 -0.939 1.00 0.00 C ATOM 1317 CE2 PHE A 82 1.442 -2.855 -2.766 1.00 0.00 C ATOM 1318 CZ PHE A 82 0.149 -2.805 -2.284 1.00 0.00 C ATOM 0 H PHE A 82 5.059 -2.137 2.246 1.00 0.00 H new ATOM 0 HA PHE A 82 2.610 -3.482 1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.368 -1.321 0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.381 -2.270 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.814 -2.256 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.517 -2.733 -2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.085 -2.546 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.620 -3.022 -3.818 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.685 -2.935 -2.958 1.00 0.00 H new ATOM 1328 N LEU A 83 5.137 -4.828 0.311 1.00 0.00 N ATOM 1329 CA LEU A 83 5.569 -6.035 -0.376 1.00 0.00 C ATOM 1330 C LEU A 83 5.648 -7.220 0.582 1.00 0.00 C ATOM 1331 O LEU A 83 5.278 -8.343 0.221 1.00 0.00 O ATOM 1332 CB LEU A 83 6.908 -5.795 -1.071 1.00 0.00 C ATOM 1333 CG LEU A 83 6.820 -4.957 -2.350 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.198 -4.745 -2.944 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.902 -5.624 -3.365 1.00 0.00 C ATOM 0 H LEU A 83 5.845 -4.096 0.366 1.00 0.00 H new ATOM 0 HA LEU A 83 4.827 -6.282 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.581 -5.299 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.355 -6.759 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 83 6.401 -3.984 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.115 -4.148 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.829 -4.224 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.643 -5.711 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.852 -5.014 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.292 -6.610 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.903 -5.726 -2.940 1.00 0.00 H new ATOM 1347 N GLU A 84 6.114 -6.972 1.802 1.00 0.00 N ATOM 1348 CA GLU A 84 6.139 -8.005 2.828 1.00 0.00 C ATOM 1349 C GLU A 84 4.725 -8.462 3.160 1.00 0.00 C ATOM 1350 O GLU A 84 4.449 -9.651 3.147 1.00 0.00 O ATOM 1351 CB GLU A 84 6.841 -7.504 4.092 1.00 0.00 C ATOM 1352 CG GLU A 84 8.351 -7.680 4.065 1.00 0.00 C ATOM 1353 CD GLU A 84 8.778 -9.122 4.271 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.886 -9.873 3.279 1.00 0.00 O ATOM 1355 OE2 GLU A 84 9.021 -9.518 5.431 1.00 0.00 O ATOM 0 H GLU A 84 6.478 -6.068 2.102 1.00 0.00 H new ATOM 0 HA GLU A 84 6.700 -8.854 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.610 -6.448 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.438 -8.034 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.737 -7.324 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.799 -7.059 4.841 1.00 0.00 H new ATOM 1362 N LEU A 85 3.834 -7.505 3.414 1.00 0.00 N ATOM 1363 CA LEU A 85 2.452 -7.797 3.803 1.00 0.00 C ATOM 1364 C LEU A 85 1.803 -8.751 2.807 1.00 0.00 C ATOM 1365 O LEU A 85 1.205 -9.757 3.197 1.00 0.00 O ATOM 1366 CB LEU A 85 1.652 -6.486 3.892 1.00 0.00 C ATOM 1367 CG LEU A 85 0.269 -6.572 4.554 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.135 -5.211 5.097 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -0.786 -7.062 3.573 1.00 0.00 C ATOM 0 H LEU A 85 4.047 -6.509 3.357 1.00 0.00 H new ATOM 0 HA LEU A 85 2.455 -8.280 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.249 -5.758 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.524 -6.095 2.883 1.00 0.00 H new ATOM 0 HG LEU A 85 0.336 -7.289 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.117 -5.283 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.596 -4.883 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.174 -4.490 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.753 -7.111 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.848 -6.373 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.514 -8.053 3.211 1.00 0.00 H new ATOM 1381 N VAL A 86 1.940 -8.436 1.526 1.00 0.00 N ATOM 1382 CA VAL A 86 1.373 -9.266 0.466 1.00 0.00 C ATOM 1383 C VAL A 86 1.894 -10.701 0.556 1.00 0.00 C ATOM 1384 O VAL A 86 1.114 -11.656 0.563 1.00 0.00 O ATOM 1385 CB VAL A 86 1.688 -8.693 -0.935 1.00 0.00 C ATOM 1386 CG1 VAL A 86 1.118 -9.583 -2.033 1.00 0.00 C ATOM 1387 CG2 VAL A 86 1.142 -7.278 -1.066 1.00 0.00 C ATOM 0 H VAL A 86 2.439 -7.611 1.193 1.00 0.00 H new ATOM 0 HA VAL A 86 0.292 -9.267 0.607 1.00 0.00 H new ATOM 0 HB VAL A 86 2.771 -8.664 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.355 -9.156 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.555 -10.579 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.036 -9.652 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.372 -6.890 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.061 -7.290 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.601 -6.640 -0.311 1.00 0.00 H new ATOM 1397 N LEU A 87 3.209 -10.846 0.656 1.00 0.00 N ATOM 1398 CA LEU A 87 3.828 -12.166 0.693 1.00 0.00 C ATOM 1399 C LEU A 87 3.485 -12.901 1.990 1.00 0.00 C ATOM 1400 O LEU A 87 3.169 -14.092 1.973 1.00 0.00 O ATOM 1401 CB LEU A 87 5.348 -12.047 0.547 1.00 0.00 C ATOM 1402 CG LEU A 87 6.097 -13.380 0.438 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.637 -14.156 -0.788 1.00 0.00 C ATOM 1404 CD2 LEU A 87 7.596 -13.144 0.383 1.00 0.00 C ATOM 0 H LEU A 87 3.867 -10.068 0.713 1.00 0.00 H new ATOM 0 HA LEU A 87 3.433 -12.743 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.567 -11.452 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.738 -11.498 1.404 1.00 0.00 H new ATOM 0 HG LEU A 87 5.871 -13.973 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.181 -15.099 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.569 -14.358 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.832 -13.568 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.112 -14.101 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.836 -12.531 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.917 -12.631 1.289 1.00 0.00 H new ATOM 1416 N GLN A 88 3.528 -12.181 3.106 1.00 0.00 N ATOM 1417 CA GLN A 88 3.293 -12.774 4.419 1.00 0.00 C ATOM 1418 C GLN A 88 1.862 -13.277 4.546 1.00 0.00 C ATOM 1419 O GLN A 88 1.593 -14.202 5.307 1.00 0.00 O ATOM 1420 CB GLN A 88 3.585 -11.769 5.535 1.00 0.00 C ATOM 1421 CG GLN A 88 5.018 -11.262 5.543 1.00 0.00 C ATOM 1422 CD GLN A 88 5.261 -10.225 6.621 1.00 0.00 C ATOM 1423 OE1 GLN A 88 4.345 -9.523 7.039 1.00 0.00 O ATOM 1424 NE2 GLN A 88 6.503 -10.103 7.060 1.00 0.00 N ATOM 0 H GLN A 88 3.725 -11.180 3.128 1.00 0.00 H new ATOM 0 HA GLN A 88 3.973 -13.620 4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.909 -10.920 5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.369 -12.235 6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.696 -12.102 5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.253 -10.831 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.237 -10.705 6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.727 -9.406 7.771 1.00 0.00 H new ATOM 1433 N SER A 89 0.950 -12.662 3.804 1.00 0.00 N ATOM 1434 CA SER A 89 -0.444 -13.083 3.807 1.00 0.00 C ATOM 1435 C SER A 89 -0.601 -14.438 3.120 1.00 0.00 C ATOM 1436 O SER A 89 -1.368 -15.290 3.572 1.00 0.00 O ATOM 1437 CB SER A 89 -1.316 -12.031 3.120 1.00 0.00 C ATOM 1438 OG SER A 89 -1.243 -10.791 3.801 1.00 0.00 O ATOM 0 H SER A 89 1.151 -11.870 3.193 1.00 0.00 H new ATOM 0 HA SER A 89 -0.771 -13.186 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.992 -11.903 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.350 -12.374 3.090 1.00 0.00 H new ATOM 0 HG SER A 89 -0.427 -10.319 3.534 1.00 0.00 H new ATOM 1444 N TYR A 90 0.151 -14.646 2.043 1.00 0.00 N ATOM 1445 CA TYR A 90 0.081 -15.897 1.297 1.00 0.00 C ATOM 1446 C TYR A 90 0.749 -17.032 2.061 1.00 0.00 C ATOM 1447 O TYR A 90 0.174 -18.108 2.221 1.00 0.00 O ATOM 1448 CB TYR A 90 0.733 -15.752 -0.082 1.00 0.00 C ATOM 1449 CG TYR A 90 0.010 -14.806 -1.015 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -1.373 -14.851 -1.148 1.00 0.00 C ATOM 1451 CD2 TYR A 90 0.710 -13.876 -1.771 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -2.035 -13.996 -2.005 1.00 0.00 C ATOM 1453 CE2 TYR A 90 0.054 -13.017 -2.631 1.00 0.00 C ATOM 1454 CZ TYR A 90 -1.319 -13.081 -2.743 1.00 0.00 C ATOM 1455 OH TYR A 90 -1.977 -12.226 -3.598 1.00 0.00 O ATOM 0 H TYR A 90 0.813 -13.967 1.669 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.974 -16.137 1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.757 -15.403 0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.788 -16.735 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.939 -15.567 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.785 -13.823 -1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.110 -14.044 -2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.613 -12.299 -3.213 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.327 -11.643 -4.042 1.00 0.00 H new ATOM 1465 N VAL A 91 1.960 -16.781 2.545 1.00 0.00 N ATOM 1466 CA VAL A 91 2.734 -17.808 3.237 1.00 0.00 C ATOM 1467 C VAL A 91 2.348 -17.898 4.710 1.00 0.00 C ATOM 1468 O VAL A 91 2.864 -18.741 5.445 1.00 0.00 O ATOM 1469 CB VAL A 91 4.254 -17.557 3.117 1.00 0.00 C ATOM 1470 CG1 VAL A 91 4.671 -17.532 1.657 1.00 0.00 C ATOM 1471 CG2 VAL A 91 4.651 -16.260 3.807 1.00 0.00 C ATOM 0 H VAL A 91 2.427 -15.877 2.472 1.00 0.00 H new ATOM 0 HA VAL A 91 2.499 -18.755 2.751 1.00 0.00 H new ATOM 0 HB VAL A 91 4.773 -18.375 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.744 -17.354 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.431 -18.489 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.137 -16.735 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.726 -16.109 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.123 -15.426 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.389 -16.315 4.864 1.00 0.00 H new ATOM 1481 N HIS A 92 1.443 -17.014 5.131 1.00 0.00 N ATOM 1482 CA HIS A 92 0.925 -17.007 6.500 1.00 0.00 C ATOM 1483 C HIS A 92 2.052 -16.778 7.506 1.00 0.00 C ATOM 1484 O HIS A 92 2.124 -17.434 8.543 1.00 0.00 O ATOM 1485 CB HIS A 92 0.187 -18.320 6.803 1.00 0.00 C ATOM 1486 CG HIS A 92 -0.919 -18.622 5.835 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -0.936 -19.742 5.033 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.053 -17.942 5.542 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -2.026 -19.736 4.293 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -2.725 -18.656 4.581 1.00 0.00 N ATOM 0 H HIS A 92 1.049 -16.285 4.536 1.00 0.00 H new ATOM 0 HA HIS A 92 0.216 -16.184 6.592 1.00 0.00 H new ATOM 0 HB2 HIS A 92 0.904 -19.141 6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.226 -18.271 7.811 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.371 -17.009 5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -2.301 -20.490 3.571 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.616 -18.394 4.160 1.00 0.00 H new ATOM 1499 N HIS A 93 2.918 -15.819 7.200 1.00 0.00 N ATOM 1500 CA HIS A 93 4.062 -15.510 8.057 1.00 0.00 C ATOM 1501 C HIS A 93 3.629 -14.633 9.228 1.00 0.00 C ATOM 1502 O HIS A 93 4.312 -14.551 10.249 1.00 0.00 O ATOM 1503 CB HIS A 93 5.156 -14.817 7.239 1.00 0.00 C ATOM 1504 CG HIS A 93 6.428 -14.549 7.998 1.00 0.00 C ATOM 1505 ND1 HIS A 93 7.356 -15.526 8.288 1.00 0.00 N ATOM 1506 CD2 HIS A 93 6.928 -13.398 8.512 1.00 0.00 C ATOM 1507 CE1 HIS A 93 8.370 -14.989 8.942 1.00 0.00 C ATOM 1508 NE2 HIS A 93 8.137 -13.698 9.092 1.00 0.00 N ATOM 0 H HIS A 93 2.851 -15.239 6.363 1.00 0.00 H new ATOM 0 HA HIS A 93 4.463 -16.440 8.459 1.00 0.00 H new ATOM 0 HB2 HIS A 93 5.389 -15.434 6.371 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.766 -13.871 6.862 1.00 0.00 H new ATOM 0 HD2 HIS A 93 6.462 -12.425 8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 93 9.243 -15.517 9.295 1.00 0.00 H new ATOM 0 HE2 HIS A 93 8.753 -13.033 9.561 1.00 0.00 H new ATOM 1517 N ILE A 94 2.494 -13.975 9.067 1.00 0.00 N ATOM 1518 CA ILE A 94 1.924 -13.164 10.128 1.00 0.00 C ATOM 1519 C ILE A 94 0.822 -13.935 10.843 1.00 0.00 C ATOM 1520 O ILE A 94 0.561 -15.093 10.518 1.00 0.00 O ATOM 1521 CB ILE A 94 1.380 -11.812 9.598 1.00 0.00 C ATOM 1522 CG1 ILE A 94 0.687 -11.970 8.231 1.00 0.00 C ATOM 1523 CG2 ILE A 94 2.502 -10.787 9.512 1.00 0.00 C ATOM 1524 CD1 ILE A 94 -0.652 -12.677 8.281 1.00 0.00 C ATOM 0 H ILE A 94 1.947 -13.987 8.206 1.00 0.00 H new ATOM 0 HA ILE A 94 2.723 -12.938 10.835 1.00 0.00 H new ATOM 0 HB ILE A 94 0.630 -11.458 10.305 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.545 -10.982 7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.350 -12.521 7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.105 -9.843 9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.931 -10.633 10.502 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.275 -11.149 8.834 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.066 -12.743 7.275 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.519 -13.680 8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.336 -12.117 8.919 1.00 0.00 H new ATOM 1536 N HIS A 95 0.195 -13.312 11.829 1.00 0.00 N ATOM 1537 CA HIS A 95 -0.906 -13.942 12.546 1.00 0.00 C ATOM 1538 C HIS A 95 -2.113 -13.021 12.601 1.00 0.00 C ATOM 1539 O HIS A 95 -3.143 -13.300 11.987 1.00 0.00 O ATOM 1540 CB HIS A 95 -0.489 -14.335 13.963 1.00 0.00 C ATOM 1541 CG HIS A 95 0.162 -15.684 14.062 1.00 0.00 C ATOM 1542 ND1 HIS A 95 0.697 -16.352 12.982 1.00 0.00 N ATOM 1543 CD2 HIS A 95 0.347 -16.498 15.128 1.00 0.00 C ATOM 1544 CE1 HIS A 95 1.180 -17.513 13.380 1.00 0.00 C ATOM 1545 NE2 HIS A 95 0.981 -17.629 14.678 1.00 0.00 N ATOM 0 H HIS A 95 0.428 -12.373 12.151 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.177 -14.846 12.001 1.00 0.00 H new ATOM 0 HB2 HIS A 95 0.199 -13.583 14.349 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.369 -14.321 14.606 1.00 0.00 H new ATOM 0 HD1 HIS A 95 0.716 -16.003 12.024 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.050 -16.295 16.146 1.00 0.00 H new ATOM 0 HE1 HIS A 95 1.659 -18.246 12.748 1.00 0.00 H new ATOM 1554 N LYS A 96 -1.979 -11.915 13.327 1.00 0.00 N ATOM 1555 CA LYS A 96 -3.099 -11.005 13.524 1.00 0.00 C ATOM 1556 C LYS A 96 -2.638 -9.671 14.104 1.00 0.00 C ATOM 1557 O LYS A 96 -2.859 -8.615 13.509 1.00 0.00 O ATOM 1558 CB LYS A 96 -4.123 -11.644 14.467 1.00 0.00 C ATOM 1559 CG LYS A 96 -5.356 -10.792 14.710 1.00 0.00 C ATOM 1560 CD LYS A 96 -6.254 -11.405 15.775 1.00 0.00 C ATOM 1561 CE LYS A 96 -6.701 -12.812 15.399 1.00 0.00 C ATOM 1562 NZ LYS A 96 -7.590 -13.410 16.432 1.00 0.00 N ATOM 0 H LYS A 96 -1.113 -11.630 13.785 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.554 -10.815 12.552 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.433 -12.604 14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.642 -11.850 15.423 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.053 -9.791 15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.914 -10.683 13.780 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.722 -11.435 16.726 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.130 -10.772 15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.224 -12.783 14.443 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.825 -13.446 15.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.871 -14.367 16.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.083 -13.462 17.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.439 -12.819 16.544 1.00 0.00 H new ATOM 1576 N LYS A 97 -1.993 -9.738 15.265 1.00 0.00 N ATOM 1577 CA LYS A 97 -1.633 -8.550 16.035 1.00 0.00 C ATOM 1578 C LYS A 97 -0.839 -7.545 15.208 1.00 0.00 C ATOM 1579 O LYS A 97 -1.248 -6.396 15.051 1.00 0.00 O ATOM 1580 CB LYS A 97 -0.822 -8.956 17.266 1.00 0.00 C ATOM 1581 CG LYS A 97 -1.049 -8.049 18.462 1.00 0.00 C ATOM 1582 CD LYS A 97 -2.493 -8.128 18.933 1.00 0.00 C ATOM 1583 CE LYS A 97 -2.749 -7.235 20.131 1.00 0.00 C ATOM 1584 NZ LYS A 97 -4.155 -7.344 20.597 1.00 0.00 N ATOM 0 H LYS A 97 -1.705 -10.615 15.699 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.561 -8.066 16.340 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.080 -9.979 17.541 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.238 -8.952 17.012 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.381 -8.336 19.274 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.804 -7.021 18.196 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.157 -7.840 18.118 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.734 -9.159 19.191 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.073 -7.508 20.941 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.530 -6.200 19.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.298 -6.721 21.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.798 -7.060 19.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.355 -8.327 20.870 1.00 0.00 H new ATOM 1598 N ARG A 98 0.285 -7.985 14.662 1.00 0.00 N ATOM 1599 CA ARG A 98 1.160 -7.083 13.924 1.00 0.00 C ATOM 1600 C ARG A 98 0.588 -6.769 12.551 1.00 0.00 C ATOM 1601 O ARG A 98 0.806 -5.684 12.021 1.00 0.00 O ATOM 1602 CB ARG A 98 2.575 -7.655 13.788 1.00 0.00 C ATOM 1603 CG ARG A 98 3.401 -7.573 15.067 1.00 0.00 C ATOM 1604 CD ARG A 98 3.013 -8.646 16.072 1.00 0.00 C ATOM 1605 NE ARG A 98 3.428 -9.978 15.638 1.00 0.00 N ATOM 1606 CZ ARG A 98 3.630 -11.003 16.464 1.00 0.00 C ATOM 1607 NH1 ARG A 98 3.377 -10.887 17.761 1.00 0.00 N ATOM 1608 NH2 ARG A 98 4.069 -12.162 15.992 1.00 0.00 N ATOM 0 H ARG A 98 0.611 -8.950 14.714 1.00 0.00 H new ATOM 0 HA ARG A 98 1.223 -6.157 14.496 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.506 -8.698 13.478 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.098 -7.120 12.995 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.458 -7.673 14.822 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.270 -6.590 15.519 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.468 -8.421 17.037 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.933 -8.632 16.218 1.00 0.00 H new ATOM 0 HE ARG A 98 3.572 -10.132 14.640 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.024 -10.006 18.135 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.535 -11.679 18.384 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.253 -12.270 14.994 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.223 -12.946 16.627 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.165 -7.711 11.994 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.764 -7.537 10.674 1.00 0.00 C ATOM 1624 C PHE A 99 -1.677 -6.309 10.655 1.00 0.00 C ATOM 1625 O PHE A 99 -1.648 -5.512 9.716 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.552 -8.793 10.287 1.00 0.00 C ATOM 1627 CG PHE A 99 -2.181 -8.725 8.923 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -1.417 -8.916 7.785 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -3.539 -8.480 8.781 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -1.991 -8.858 6.530 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -4.119 -8.421 7.527 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.344 -8.612 6.401 1.00 0.00 C ATOM 0 H PHE A 99 -0.376 -8.605 12.437 1.00 0.00 H new ATOM 0 HA PHE A 99 0.033 -7.382 9.947 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.885 -9.654 10.325 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.333 -8.962 11.028 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.359 -9.113 7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.150 -8.334 9.659 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.382 -9.005 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.177 -8.226 7.429 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.795 -8.569 5.421 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.466 -6.161 11.711 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.380 -5.032 11.847 1.00 0.00 C ATOM 1644 C LYS A 100 -2.610 -3.713 11.887 1.00 0.00 C ATOM 1645 O LYS A 100 -2.892 -2.793 11.122 1.00 0.00 O ATOM 1646 CB LYS A 100 -4.214 -5.195 13.123 1.00 0.00 C ATOM 1647 CG LYS A 100 -5.240 -4.097 13.341 1.00 0.00 C ATOM 1648 CD LYS A 100 -6.324 -4.122 12.278 1.00 0.00 C ATOM 1649 CE LYS A 100 -7.337 -3.006 12.484 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.982 -3.069 13.824 1.00 0.00 N ATOM 0 H LYS A 100 -2.492 -6.815 12.493 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.043 -5.013 10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.728 -6.155 13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.543 -5.225 13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.693 -4.213 14.326 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.743 -3.127 13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.870 -4.024 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.834 -5.085 12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.841 -2.042 12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.103 -3.067 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.809 -2.439 13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.286 -4.045 14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.302 -2.768 14.551 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.624 -3.651 12.769 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.824 -2.443 12.968 1.00 0.00 C ATOM 1666 C ASP A 101 -0.074 -2.060 11.699 1.00 0.00 C ATOM 1667 O ASP A 101 -0.025 -0.890 11.329 1.00 0.00 O ATOM 1668 CB ASP A 101 0.162 -2.666 14.111 1.00 0.00 C ATOM 1669 CG ASP A 101 0.925 -1.414 14.493 1.00 0.00 C ATOM 1670 OD1 ASP A 101 0.373 -0.576 15.233 1.00 0.00 O ATOM 1671 OD2 ASP A 101 2.096 -1.278 14.081 1.00 0.00 O ATOM 0 H ASP A 101 -1.353 -4.432 13.367 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.497 -1.623 13.219 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.379 -3.034 14.983 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.871 -3.443 13.824 1.00 0.00 H new ATOM 1676 N ILE A 102 0.506 -3.049 11.034 1.00 0.00 N ATOM 1677 CA ILE A 102 1.195 -2.809 9.767 1.00 0.00 C ATOM 1678 C ILE A 102 0.232 -2.222 8.736 1.00 0.00 C ATOM 1679 O ILE A 102 0.543 -1.223 8.083 1.00 0.00 O ATOM 1680 CB ILE A 102 1.840 -4.100 9.208 1.00 0.00 C ATOM 1681 CG1 ILE A 102 2.946 -4.593 10.151 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.397 -3.870 7.807 1.00 0.00 C ATOM 1683 CD1 ILE A 102 3.565 -5.910 9.730 1.00 0.00 C ATOM 0 H ILE A 102 0.515 -4.020 11.345 1.00 0.00 H new ATOM 0 HA ILE A 102 1.993 -2.093 9.964 1.00 0.00 H new ATOM 0 HB ILE A 102 1.068 -4.866 9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.728 -3.836 10.206 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.534 -4.700 11.155 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.845 -4.793 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.590 -3.566 7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.155 -3.087 7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.338 -6.194 10.444 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.795 -6.681 9.703 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.008 -5.804 8.740 1.00 0.00 H new ATOM 1695 N THR A 103 -0.945 -2.822 8.615 1.00 0.00 N ATOM 1696 CA THR A 103 -1.958 -2.330 7.692 1.00 0.00 C ATOM 1697 C THR A 103 -2.364 -0.902 8.062 1.00 0.00 C ATOM 1698 O THR A 103 -2.466 -0.028 7.200 1.00 0.00 O ATOM 1699 CB THR A 103 -3.199 -3.244 7.697 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.808 -4.601 7.439 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.212 -2.805 6.648 1.00 0.00 C ATOM 0 H THR A 103 -1.221 -3.649 9.144 1.00 0.00 H new ATOM 0 HA THR A 103 -1.530 -2.333 6.689 1.00 0.00 H new ATOM 0 HB THR A 103 -3.664 -3.172 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.409 -4.986 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.076 -3.469 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.532 -1.784 6.856 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.754 -2.847 5.660 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.558 -0.668 9.354 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.908 0.654 9.860 1.00 0.00 C ATOM 1711 C GLU A 104 -1.795 1.667 9.596 1.00 0.00 C ATOM 1712 O GLU A 104 -2.067 2.823 9.281 1.00 0.00 O ATOM 1713 CB GLU A 104 -3.218 0.574 11.355 1.00 0.00 C ATOM 1714 CG GLU A 104 -4.602 0.024 11.651 1.00 0.00 C ATOM 1715 CD GLU A 104 -4.953 0.085 13.119 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.308 1.180 13.606 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -4.880 -0.956 13.798 1.00 0.00 O ATOM 0 H GLU A 104 -2.478 -1.384 10.076 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.796 0.997 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.473 -0.056 11.841 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.128 1.569 11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.341 0.587 11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.658 -1.010 11.311 1.00 0.00 H new ATOM 1724 N SER A 105 -0.548 1.227 9.709 1.00 0.00 N ATOM 1725 CA SER A 105 0.590 2.100 9.447 1.00 0.00 C ATOM 1726 C SER A 105 0.640 2.500 7.971 1.00 0.00 C ATOM 1727 O SER A 105 0.923 3.656 7.640 1.00 0.00 O ATOM 1728 CB SER A 105 1.892 1.411 9.855 1.00 0.00 C ATOM 1729 OG SER A 105 1.861 1.037 11.225 1.00 0.00 O ATOM 0 H SER A 105 -0.299 0.275 9.979 1.00 0.00 H new ATOM 0 HA SER A 105 0.471 3.005 10.042 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.050 0.527 9.236 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.734 2.080 9.676 1.00 0.00 H new ATOM 0 HG SER A 105 1.149 0.379 11.368 1.00 0.00 H new ATOM 1735 N VAL A 106 0.353 1.543 7.090 1.00 0.00 N ATOM 1736 CA VAL A 106 0.291 1.818 5.659 1.00 0.00 C ATOM 1737 C VAL A 106 -0.843 2.795 5.357 1.00 0.00 C ATOM 1738 O VAL A 106 -0.637 3.818 4.701 1.00 0.00 O ATOM 1739 CB VAL A 106 0.094 0.524 4.833 1.00 0.00 C ATOM 1740 CG1 VAL A 106 -0.019 0.838 3.348 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.232 -0.450 5.086 1.00 0.00 C ATOM 0 H VAL A 106 0.161 0.574 7.343 1.00 0.00 H new ATOM 0 HA VAL A 106 1.244 2.261 5.371 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.838 0.058 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.157 -0.088 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.873 1.494 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.892 1.333 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.076 -1.353 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.177 0.012 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.261 -0.708 6.145 1.00 0.00 H new ATOM 1751 N LEU A 107 -2.033 2.488 5.868 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.204 3.341 5.669 1.00 0.00 C ATOM 1753 C LEU A 107 -2.976 4.739 6.245 1.00 0.00 C ATOM 1754 O LEU A 107 -3.369 5.733 5.637 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.450 2.705 6.294 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.985 1.465 5.567 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -6.136 0.844 6.346 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.432 1.824 4.155 1.00 0.00 C ATOM 0 H LEU A 107 -2.213 1.652 6.425 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.363 3.439 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.221 2.432 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.241 3.454 6.331 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.180 0.734 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.503 -0.034 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.788 0.550 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.942 1.571 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.808 0.932 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.222 2.574 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.586 2.224 3.596 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.335 4.805 7.410 1.00 0.00 N ATOM 1771 CA TYR A 108 -1.970 6.082 8.029 1.00 0.00 C ATOM 1772 C TYR A 108 -1.176 6.946 7.053 1.00 0.00 C ATOM 1773 O TYR A 108 -1.492 8.118 6.839 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.153 5.833 9.302 1.00 0.00 C ATOM 1775 CG TYR A 108 -0.473 7.067 9.865 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -1.176 7.991 10.630 1.00 0.00 C ATOM 1777 CD2 TYR A 108 0.879 7.303 9.633 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -0.552 9.110 11.148 1.00 0.00 C ATOM 1779 CE2 TYR A 108 1.508 8.421 10.147 1.00 0.00 C ATOM 1780 CZ TYR A 108 0.788 9.322 10.902 1.00 0.00 C ATOM 1781 OH TYR A 108 1.412 10.435 11.417 1.00 0.00 O ATOM 0 H TYR A 108 -2.055 3.985 7.949 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.884 6.614 8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.811 5.416 10.065 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.394 5.080 9.090 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.227 7.832 10.823 1.00 0.00 H new ATOM 0 HD2 TYR A 108 1.446 6.600 9.041 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.112 9.816 11.743 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.558 8.588 9.958 1.00 0.00 H new ATOM 0 HH TYR A 108 2.355 10.433 11.152 1.00 0.00 H new ATOM 1791 N THR A 109 -0.157 6.348 6.455 1.00 0.00 N ATOM 1792 CA THR A 109 0.684 7.036 5.491 1.00 0.00 C ATOM 1793 C THR A 109 -0.130 7.463 4.270 1.00 0.00 C ATOM 1794 O THR A 109 -0.024 8.600 3.804 1.00 0.00 O ATOM 1795 CB THR A 109 1.845 6.124 5.047 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.609 5.725 6.192 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.752 6.828 4.051 1.00 0.00 C ATOM 0 H THR A 109 0.108 5.378 6.624 1.00 0.00 H new ATOM 0 HA THR A 109 1.090 7.926 5.971 1.00 0.00 H new ATOM 0 HB THR A 109 1.419 5.247 4.559 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.115 5.042 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.560 6.158 3.758 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.176 7.109 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.171 7.723 4.510 1.00 0.00 H new ATOM 1805 N LEU A 110 -0.959 6.554 3.778 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.782 6.815 2.606 1.00 0.00 C ATOM 1807 C LEU A 110 -2.769 7.948 2.858 1.00 0.00 C ATOM 1808 O LEU A 110 -2.991 8.786 1.988 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.531 5.552 2.196 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.641 4.386 1.767 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.474 3.139 1.521 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.846 4.752 0.525 1.00 0.00 C ATOM 0 H LEU A 110 -1.080 5.623 4.176 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.120 7.120 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.152 5.228 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.205 5.797 1.375 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.940 4.174 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.822 2.320 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.998 2.865 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.201 3.336 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.218 3.910 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.531 4.992 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.218 5.617 0.737 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.355 7.971 4.050 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.291 9.030 4.424 1.00 0.00 C ATOM 1826 C HIS A 111 -3.592 10.382 4.474 1.00 0.00 C ATOM 1827 O HIS A 111 -4.161 11.403 4.085 1.00 0.00 O ATOM 1828 CB HIS A 111 -4.937 8.738 5.781 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.135 7.839 5.707 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -7.386 8.223 6.129 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.266 6.567 5.264 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -8.231 7.229 5.949 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.579 6.210 5.424 1.00 0.00 N ATOM 0 H HIS A 111 -3.200 7.270 4.775 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.069 9.061 3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.194 8.282 6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.231 9.681 6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.480 5.947 4.859 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -9.283 7.246 6.191 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.984 5.307 5.178 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.351 10.378 4.940 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.572 11.601 5.049 1.00 0.00 C ATOM 1844 C ALA A 112 -1.308 12.201 3.675 1.00 0.00 C ATOM 1845 O ALA A 112 -1.526 13.390 3.453 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.261 11.327 5.770 1.00 0.00 C ATOM 0 H ALA A 112 -1.862 9.538 5.249 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.147 12.323 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.313 12.251 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.468 10.946 6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.313 10.587 5.212 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.845 11.365 2.754 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.562 11.802 1.391 1.00 0.00 C ATOM 1854 C VAL A 113 -1.861 12.159 0.664 1.00 0.00 C ATOM 1855 O VAL A 113 -1.901 13.083 -0.151 1.00 0.00 O ATOM 1856 CB VAL A 113 0.194 10.710 0.598 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.587 11.210 -0.784 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.423 10.251 1.368 1.00 0.00 C ATOM 0 H VAL A 113 -0.657 10.377 2.926 1.00 0.00 H new ATOM 0 HA VAL A 113 0.072 12.686 1.452 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.476 9.860 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.117 10.422 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.309 11.486 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.235 12.081 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.944 9.483 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.089 11.099 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.117 9.842 2.331 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.922 11.424 0.989 1.00 0.00 N ATOM 1869 CA LYS A 114 -4.244 11.646 0.404 1.00 0.00 C ATOM 1870 C LYS A 114 -4.707 13.087 0.595 1.00 0.00 C ATOM 1871 O LYS A 114 -5.249 13.701 -0.328 1.00 0.00 O ATOM 1872 CB LYS A 114 -5.259 10.686 1.031 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.705 10.950 0.638 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.620 9.831 1.108 1.00 0.00 C ATOM 1875 CE LYS A 114 -7.541 8.623 0.189 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.207 8.885 -1.114 1.00 0.00 N ATOM 0 H LYS A 114 -2.891 10.659 1.663 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.172 11.456 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.999 9.666 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.174 10.746 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.034 11.896 1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.777 11.050 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.346 9.537 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.648 10.192 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.497 8.362 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.009 7.766 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.033 8.261 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.516 9.877 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.539 8.700 -1.889 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.504 13.618 1.793 1.00 0.00 N ATOM 1891 CA ASP A 115 -4.920 14.986 2.100 1.00 0.00 C ATOM 1892 C ASP A 115 -4.165 15.991 1.239 1.00 0.00 C ATOM 1893 O ASP A 115 -4.774 16.857 0.620 1.00 0.00 O ATOM 1894 CB ASP A 115 -4.714 15.309 3.584 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.261 16.677 3.955 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -6.499 16.822 4.051 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -4.464 17.616 4.151 1.00 0.00 O ATOM 0 H ASP A 115 -4.056 13.128 2.567 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.984 15.062 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.203 14.547 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.650 15.269 3.818 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.847 15.851 1.196 1.00 0.00 N ATOM 1903 CA GLU A 116 -1.983 16.719 0.401 1.00 0.00 C ATOM 1904 C GLU A 116 -2.426 16.748 -1.062 1.00 0.00 C ATOM 1905 O GLU A 116 -2.655 17.818 -1.634 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.540 16.207 0.467 1.00 0.00 C ATOM 1907 CG GLU A 116 0.008 16.037 1.875 1.00 0.00 C ATOM 1908 CD GLU A 116 0.516 17.330 2.467 1.00 0.00 C ATOM 1909 OE1 GLU A 116 -0.290 18.089 3.029 1.00 0.00 O ATOM 1910 OE2 GLU A 116 1.727 17.594 2.368 1.00 0.00 O ATOM 0 H GLU A 116 -2.343 15.130 1.713 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.050 17.727 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.485 15.248 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.102 16.899 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.774 15.631 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.818 15.308 1.859 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.551 15.561 -1.653 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.905 15.426 -3.064 1.00 0.00 C ATOM 1919 C ILE A 117 -4.240 16.095 -3.367 1.00 0.00 C ATOM 1920 O ILE A 117 -4.347 16.884 -4.305 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.983 13.942 -3.492 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.639 13.245 -3.263 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -3.397 13.826 -4.957 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.668 11.763 -3.565 1.00 0.00 C ATOM 0 H ILE A 117 -2.411 14.673 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 117 -2.115 15.920 -3.630 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.738 13.450 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.882 13.720 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.335 13.391 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.446 12.774 -5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -4.376 14.285 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.665 14.336 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.683 11.335 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.402 11.275 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.941 11.610 -4.609 1.00 0.00 H new ATOM 1936 N ALA A 118 -5.248 15.790 -2.560 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.586 16.315 -2.789 1.00 0.00 C ATOM 1938 C ALA A 118 -6.671 17.788 -2.413 1.00 0.00 C ATOM 1939 O ALA A 118 -7.530 18.519 -2.915 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.610 15.506 -2.012 1.00 0.00 C ATOM 0 H ALA A 118 -5.164 15.184 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.806 16.229 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.606 15.910 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.575 14.466 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.384 15.560 -0.947 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.775 18.220 -1.532 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.748 19.604 -1.097 1.00 0.00 C ATOM 1948 C ARG A 119 -5.265 20.508 -2.223 1.00 0.00 C ATOM 1949 O ARG A 119 -5.934 21.481 -2.568 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.869 19.779 0.147 1.00 0.00 C ATOM 1951 CG ARG A 119 -4.890 21.205 0.672 1.00 0.00 C ATOM 1952 CD ARG A 119 -4.234 21.323 2.033 1.00 0.00 C ATOM 1953 NE ARG A 119 -4.840 20.433 3.024 1.00 0.00 N ATOM 1954 CZ ARG A 119 -5.220 20.816 4.243 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -5.213 22.102 4.576 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -5.623 19.906 5.123 1.00 0.00 N ATOM 0 H ARG A 119 -5.060 17.629 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.765 19.891 -0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.211 19.101 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.844 19.498 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.378 21.858 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.921 21.552 0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.172 21.092 1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.308 22.353 2.381 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.981 19.456 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.916 22.803 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -5.505 22.388 5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.641 18.919 4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.915 20.194 6.057 1.00 0.00 H new ATOM 1970 N GLU A 120 -4.108 20.187 -2.798 1.00 0.00 N ATOM 1971 CA GLU A 120 -3.602 20.940 -3.940 1.00 0.00 C ATOM 1972 C GLU A 120 -4.460 20.682 -5.169 1.00 0.00 C ATOM 1973 O GLU A 120 -4.984 21.621 -5.775 1.00 0.00 O ATOM 1974 CB GLU A 120 -2.149 20.583 -4.242 1.00 0.00 C ATOM 1975 CG GLU A 120 -1.152 21.184 -3.269 1.00 0.00 C ATOM 1976 CD GLU A 120 0.264 21.146 -3.806 1.00 0.00 C ATOM 1977 OE1 GLU A 120 0.465 21.526 -4.980 1.00 0.00 O ATOM 1978 OE2 GLU A 120 1.186 20.770 -3.057 1.00 0.00 O ATOM 0 H GLU A 120 -3.510 19.419 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.649 21.998 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.042 19.498 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.905 20.918 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.431 22.216 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.196 20.641 -2.325 1.00 0.00 H new