USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 769 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 3 SER OG : rot 28:sc= 0.456 USER MOD Single : A 7 MET CE :methyl 143:sc= -0.182 (180deg=-1.04) USER MOD Single : A 11 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 156:sc= -0.246 (180deg=-1.22) USER MOD Single : A 17 THR OG1 : rot 59:sc= 1.26 USER MOD Single : A 19 GLN : amide:sc= -5.45! C(o=-5.5!,f=-4.4!) USER MOD Single : A 20 MET CE :methyl 158:sc= -0.144 (180deg=-0.837) USER MOD Single : A 26 GLN : amide:sc= -0.951 K(o=-0.95,f=-0.049) USER MOD Single : A 27 GLN : amide:sc= 1.61 K(o=1.6,f=-9.4!) USER MOD Single : A 31 SER OG : rot 75:sc= 0.867 USER MOD Single : A 32 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.08) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 63 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.72) USER MOD Single : A 68 CYS SG : rot -21:sc= -3.84! USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= 0.811 (180deg=0.315) USER MOD Single : A 72 HIS : no HD1:sc= 1.13 K(o=1.1,f=-5.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -53:sc= 0.736 USER MOD Single : A 85 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.024) USER MOD Single : A 90 GLN : amide:sc= -0.564 K(o=-0.56,f=-0.019) USER MOD Single : A 95 GLN : amide:sc= -6.46! C(o=-6.5!,f=-6.1!) USER MOD Single : A 98 SER OG : rot 180:sc= 0.00767 USER MOD Single : A 99 GLN : amide:sc= -0.945 K(o=-0.94,f=0) USER MOD Single : A 103 SER OG : rot 64:sc= 1.24 USER MOD Single : A 106 GLN : amide:sc= -0.682 K(o=-0.68,f=-3.1) USER MOD Single : A 112 MET CE :methyl -172:sc= -1.59 (180deg=-1.85) USER MOD Single : A 113 LYS NZ :NH3+ 140:sc= 1.31 (180deg=0.765) USER MOD Single : A 114 GLN : amide:sc= -0.467 X(o=-0.47,f=0.015) USER MOD Single : A 119 HIS : no HD1:sc= -1.95! K(o=-2!,f=0.63) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -21.702 3.367 -4.123 1.00 0.00 N ATOM 38 CA SER A 3 -21.869 3.239 -2.704 1.00 0.00 C ATOM 39 C SER A 3 -20.555 3.584 -2.014 1.00 0.00 C ATOM 40 O SER A 3 -19.487 3.524 -2.642 1.00 0.00 O ATOM 41 CB SER A 3 -22.291 1.810 -2.373 1.00 0.00 C ATOM 42 OG SER A 3 -23.246 1.342 -3.316 1.00 0.00 O ATOM 0 HA SER A 3 -22.642 3.922 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.418 1.157 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.714 1.773 -1.369 1.00 0.00 H new ATOM 0 HG SER A 3 -23.112 1.800 -4.172 1.00 0.00 H new ATOM 48 N PRO A 4 -20.599 3.970 -0.725 1.00 0.00 N ATOM 49 CA PRO A 4 -19.394 4.299 0.034 1.00 0.00 C ATOM 50 C PRO A 4 -18.387 3.163 0.000 1.00 0.00 C ATOM 51 O PRO A 4 -17.183 3.396 0.020 1.00 0.00 O ATOM 52 CB PRO A 4 -19.910 4.521 1.458 1.00 0.00 C ATOM 53 CG PRO A 4 -21.338 4.899 1.285 1.00 0.00 C ATOM 54 CD PRO A 4 -21.823 4.135 0.085 1.00 0.00 C ATOM 0 HA PRO A 4 -18.873 5.166 -0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.809 3.619 2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.350 5.307 1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.920 4.645 2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.442 5.973 1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.253 3.174 0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.594 4.683 -0.457 1.00 0.00 H new ATOM 62 N ALA A 5 -18.897 1.937 -0.072 1.00 0.00 N ATOM 63 CA ALA A 5 -18.056 0.752 -0.134 1.00 0.00 C ATOM 64 C ALA A 5 -17.112 0.815 -1.330 1.00 0.00 C ATOM 65 O ALA A 5 -15.934 0.498 -1.212 1.00 0.00 O ATOM 66 CB ALA A 5 -18.911 -0.507 -0.194 1.00 0.00 C ATOM 0 H ALA A 5 -19.898 1.740 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.452 0.718 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.265 -1.384 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.537 -0.564 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.543 -0.475 -1.081 1.00 0.00 H new ATOM 72 N GLU A 6 -17.629 1.254 -2.476 1.00 0.00 N ATOM 73 CA GLU A 6 -16.810 1.359 -3.673 1.00 0.00 C ATOM 74 C GLU A 6 -15.829 2.506 -3.535 1.00 0.00 C ATOM 75 O GLU A 6 -14.637 2.361 -3.801 1.00 0.00 O ATOM 76 CB GLU A 6 -17.663 1.557 -4.940 1.00 0.00 C ATOM 77 CG GLU A 6 -18.536 0.366 -5.319 1.00 0.00 C ATOM 78 CD GLU A 6 -19.859 0.335 -4.584 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.801 1.027 -5.024 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.973 -0.395 -3.582 1.00 0.00 O ATOM 0 H GLU A 6 -18.601 1.539 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.267 0.420 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.303 2.427 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.000 1.783 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.725 0.390 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.992 -0.555 -5.112 1.00 0.00 H new ATOM 87 N MET A 7 -16.353 3.647 -3.126 1.00 0.00 N ATOM 88 CA MET A 7 -15.552 4.854 -2.924 1.00 0.00 C ATOM 89 C MET A 7 -14.351 4.589 -2.017 1.00 0.00 C ATOM 90 O MET A 7 -13.213 4.892 -2.380 1.00 0.00 O ATOM 91 CB MET A 7 -16.409 5.973 -2.325 1.00 0.00 C ATOM 92 CG MET A 7 -15.638 7.260 -2.059 1.00 0.00 C ATOM 93 SD MET A 7 -16.632 8.516 -1.228 1.00 0.00 S ATOM 94 CE MET A 7 -16.996 7.699 0.327 1.00 0.00 C ATOM 0 H MET A 7 -17.345 3.769 -2.923 1.00 0.00 H new ATOM 0 HA MET A 7 -15.181 5.163 -3.901 1.00 0.00 H new ATOM 0 HB2 MET A 7 -17.235 6.188 -3.003 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.847 5.622 -1.390 1.00 0.00 H new ATOM 0 HG2 MET A 7 -14.763 7.034 -1.449 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.272 7.660 -3.005 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.985 8.431 1.134 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.980 7.234 0.272 1.00 0.00 H new ATOM 0 HE3 MET A 7 -16.244 6.934 0.521 1.00 0.00 H new ATOM 104 N VAL A 8 -14.609 4.014 -0.850 1.00 0.00 N ATOM 105 CA VAL A 8 -13.554 3.737 0.114 1.00 0.00 C ATOM 106 C VAL A 8 -12.544 2.741 -0.451 1.00 0.00 C ATOM 107 O VAL A 8 -11.337 2.931 -0.314 1.00 0.00 O ATOM 108 CB VAL A 8 -14.127 3.204 1.455 1.00 0.00 C ATOM 109 CG1 VAL A 8 -13.006 2.818 2.409 1.00 0.00 C ATOM 110 CG2 VAL A 8 -15.030 4.246 2.101 1.00 0.00 C ATOM 0 H VAL A 8 -15.541 3.730 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.047 4.681 0.312 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.717 2.313 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.433 2.448 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.394 2.038 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.387 3.691 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.423 3.855 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.457 5.153 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.857 4.477 1.430 1.00 0.00 H new ATOM 120 N LEU A 9 -13.046 1.705 -1.113 1.00 0.00 N ATOM 121 CA LEU A 9 -12.197 0.670 -1.698 1.00 0.00 C ATOM 122 C LEU A 9 -11.170 1.238 -2.646 1.00 0.00 C ATOM 123 O LEU A 9 -9.992 1.016 -2.481 1.00 0.00 O ATOM 124 CB LEU A 9 -13.032 -0.367 -2.432 1.00 0.00 C ATOM 125 CG LEU A 9 -13.355 -1.624 -1.649 1.00 0.00 C ATOM 126 CD1 LEU A 9 -14.309 -2.494 -2.431 1.00 0.00 C ATOM 127 CD2 LEU A 9 -12.077 -2.391 -1.325 1.00 0.00 C ATOM 0 H LEU A 9 -14.045 1.558 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.671 0.199 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.969 0.099 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.505 -0.653 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.833 -1.339 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.533 -3.394 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.231 -1.944 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.852 -2.773 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.325 -3.291 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.575 -2.669 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.416 -1.762 -0.729 1.00 0.00 H new ATOM 139 N GLU A 10 -11.625 1.988 -3.616 1.00 0.00 N ATOM 140 CA GLU A 10 -10.744 2.520 -4.631 1.00 0.00 C ATOM 141 C GLU A 10 -9.788 3.550 -4.051 1.00 0.00 C ATOM 142 O GLU A 10 -8.696 3.726 -4.547 1.00 0.00 O ATOM 143 CB GLU A 10 -11.548 3.096 -5.792 1.00 0.00 C ATOM 144 CG GLU A 10 -12.526 2.093 -6.396 1.00 0.00 C ATOM 145 CD GLU A 10 -11.880 0.748 -6.695 1.00 0.00 C ATOM 146 OE1 GLU A 10 -11.265 0.602 -7.771 1.00 0.00 O ATOM 147 OE2 GLU A 10 -11.995 -0.172 -5.863 1.00 0.00 O ATOM 0 H GLU A 10 -12.605 2.247 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.138 1.700 -5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.100 3.970 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.862 3.438 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.360 1.946 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.940 2.505 -7.316 1.00 0.00 H new ATOM 154 N THR A 11 -10.203 4.204 -2.984 1.00 0.00 N ATOM 155 CA THR A 11 -9.358 5.183 -2.321 1.00 0.00 C ATOM 156 C THR A 11 -8.271 4.465 -1.508 1.00 0.00 C ATOM 157 O THR A 11 -7.104 4.875 -1.485 1.00 0.00 O ATOM 158 CB THR A 11 -10.187 6.113 -1.409 1.00 0.00 C ATOM 159 OG1 THR A 11 -11.279 6.662 -2.161 1.00 0.00 O ATOM 160 CG2 THR A 11 -9.331 7.252 -0.874 1.00 0.00 C ATOM 0 H THR A 11 -11.120 4.077 -2.556 1.00 0.00 H new ATOM 0 HA THR A 11 -8.886 5.802 -3.084 1.00 0.00 H new ATOM 0 HB THR A 11 -10.560 5.530 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.087 6.130 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.937 7.893 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.502 6.844 -0.297 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.940 7.836 -1.707 1.00 0.00 H new ATOM 168 N LEU A 12 -8.658 3.373 -0.890 1.00 0.00 N ATOM 169 CA LEU A 12 -7.762 2.549 -0.121 1.00 0.00 C ATOM 170 C LEU A 12 -6.818 1.822 -1.078 1.00 0.00 C ATOM 171 O LEU A 12 -5.612 1.723 -0.848 1.00 0.00 O ATOM 172 CB LEU A 12 -8.593 1.555 0.685 1.00 0.00 C ATOM 173 CG LEU A 12 -7.836 0.651 1.629 1.00 0.00 C ATOM 174 CD1 LEU A 12 -7.166 1.461 2.733 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.771 -0.392 2.213 1.00 0.00 C ATOM 0 H LEU A 12 -9.618 3.030 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.166 3.151 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.327 2.115 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.149 0.930 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.053 0.140 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.627 0.789 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.467 2.171 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.924 2.003 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.216 -1.039 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.574 0.104 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.196 -0.991 1.408 1.00 0.00 H new ATOM 187 N MET A 13 -7.390 1.358 -2.176 1.00 0.00 N ATOM 188 CA MET A 13 -6.661 0.701 -3.243 1.00 0.00 C ATOM 189 C MET A 13 -5.882 1.708 -4.044 1.00 0.00 C ATOM 190 O MET A 13 -5.006 1.359 -4.811 1.00 0.00 O ATOM 191 CB MET A 13 -7.594 -0.101 -4.153 1.00 0.00 C ATOM 192 CG MET A 13 -7.788 -1.533 -3.703 1.00 0.00 C ATOM 193 SD MET A 13 -8.425 -1.660 -2.024 1.00 0.00 S ATOM 194 CE MET A 13 -8.119 -3.380 -1.695 1.00 0.00 C ATOM 0 H MET A 13 -8.392 1.430 -2.352 1.00 0.00 H new ATOM 0 HA MET A 13 -5.964 -0.001 -2.785 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.564 0.394 -4.193 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.192 -0.098 -5.166 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.475 -2.033 -4.386 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.836 -2.060 -3.766 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.458 -3.624 -0.688 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.660 -3.991 -2.418 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.051 -3.582 -1.777 1.00 0.00 H new ATOM 204 N MET A 14 -6.185 2.966 -3.824 1.00 0.00 N ATOM 205 CA MET A 14 -5.524 4.040 -4.546 1.00 0.00 C ATOM 206 C MET A 14 -4.156 4.221 -3.942 1.00 0.00 C ATOM 207 O MET A 14 -3.155 4.370 -4.649 1.00 0.00 O ATOM 208 CB MET A 14 -6.307 5.350 -4.432 1.00 0.00 C ATOM 209 CG MET A 14 -5.842 6.438 -5.383 1.00 0.00 C ATOM 210 SD MET A 14 -6.107 6.003 -7.116 1.00 0.00 S ATOM 211 CE MET A 14 -7.889 5.787 -7.153 1.00 0.00 C ATOM 0 H MET A 14 -6.886 3.276 -3.151 1.00 0.00 H new ATOM 0 HA MET A 14 -5.461 3.782 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.362 5.147 -4.618 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.229 5.719 -3.409 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.373 7.363 -5.159 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.782 6.631 -5.218 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.253 5.940 -8.169 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.140 4.778 -6.825 1.00 0.00 H new ATOM 0 HE3 MET A 14 -8.357 6.512 -6.487 1.00 0.00 H new ATOM 221 N GLU A 15 -4.114 4.166 -2.612 1.00 0.00 N ATOM 222 CA GLU A 15 -2.879 4.285 -1.898 1.00 0.00 C ATOM 223 C GLU A 15 -2.124 2.977 -1.999 1.00 0.00 C ATOM 224 O GLU A 15 -0.922 2.964 -2.229 1.00 0.00 O ATOM 225 CB GLU A 15 -3.134 4.658 -0.432 1.00 0.00 C ATOM 226 CG GLU A 15 -1.870 4.945 0.368 1.00 0.00 C ATOM 227 CD GLU A 15 -1.098 6.142 -0.159 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.502 6.043 -1.248 1.00 0.00 O ATOM 229 OE2 GLU A 15 -1.067 7.189 0.520 1.00 0.00 O ATOM 0 H GLU A 15 -4.934 4.039 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.279 5.081 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.779 5.536 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.678 3.845 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.137 5.121 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.226 4.066 0.348 1.00 0.00 H new ATOM 236 N LEU A 16 -2.852 1.869 -1.860 1.00 0.00 N ATOM 237 CA LEU A 16 -2.256 0.546 -1.990 1.00 0.00 C ATOM 238 C LEU A 16 -1.546 0.414 -3.327 1.00 0.00 C ATOM 239 O LEU A 16 -0.429 -0.062 -3.398 1.00 0.00 O ATOM 240 CB LEU A 16 -3.320 -0.543 -1.868 1.00 0.00 C ATOM 241 CG LEU A 16 -2.826 -1.977 -2.093 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.849 -2.396 -1.001 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.998 -2.942 -2.173 1.00 0.00 C ATOM 0 H LEU A 16 -3.852 1.864 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.532 0.423 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.765 -0.482 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.113 -0.334 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.295 -2.007 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.514 -3.417 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.989 -1.726 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.344 -2.345 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.626 -3.954 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.563 -2.906 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.647 -2.659 -3.002 1.00 0.00 H new ATOM 255 N THR A 17 -2.208 0.856 -4.377 1.00 0.00 N ATOM 256 CA THR A 17 -1.632 0.794 -5.716 1.00 0.00 C ATOM 257 C THR A 17 -0.412 1.712 -5.830 1.00 0.00 C ATOM 258 O THR A 17 0.639 1.308 -6.338 1.00 0.00 O ATOM 259 CB THR A 17 -2.661 1.163 -6.805 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.773 0.256 -6.749 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.036 1.103 -8.192 1.00 0.00 C ATOM 0 H THR A 17 -3.143 1.262 -4.335 1.00 0.00 H new ATOM 0 HA THR A 17 -1.322 -0.238 -5.877 1.00 0.00 H new ATOM 0 HB THR A 17 -3.000 2.182 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.192 0.306 -5.864 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.784 1.368 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.204 1.805 -8.247 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.672 0.093 -8.384 1.00 0.00 H new ATOM 269 N GLY A 18 -0.560 2.943 -5.358 1.00 0.00 N ATOM 270 CA GLY A 18 0.518 3.894 -5.392 1.00 0.00 C ATOM 271 C GLY A 18 1.718 3.418 -4.632 1.00 0.00 C ATOM 272 O GLY A 18 2.845 3.641 -5.052 1.00 0.00 O ATOM 0 H GLY A 18 -1.424 3.297 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.799 4.085 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.178 4.841 -4.974 1.00 0.00 H new ATOM 276 N GLN A 19 1.479 2.719 -3.535 1.00 0.00 N ATOM 277 CA GLN A 19 2.548 2.235 -2.711 1.00 0.00 C ATOM 278 C GLN A 19 3.074 0.913 -3.223 1.00 0.00 C ATOM 279 O GLN A 19 4.232 0.596 -3.037 1.00 0.00 O ATOM 280 CB GLN A 19 2.113 2.129 -1.266 1.00 0.00 C ATOM 281 CG GLN A 19 1.786 3.470 -0.654 1.00 0.00 C ATOM 282 CD GLN A 19 1.308 3.362 0.762 1.00 0.00 C ATOM 283 OE1 GLN A 19 0.714 2.378 1.149 1.00 0.00 O ATOM 284 NE2 GLN A 19 1.566 4.382 1.546 1.00 0.00 N ATOM 0 H GLN A 19 0.545 2.479 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 19 3.363 2.957 -2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.238 1.482 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.905 1.654 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.672 4.104 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.020 3.961 -1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.069 5.191 1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.264 4.366 2.520 1.00 0.00 H new ATOM 293 N MET A 20 2.211 0.139 -3.857 1.00 0.00 N ATOM 294 CA MET A 20 2.625 -1.120 -4.480 1.00 0.00 C ATOM 295 C MET A 20 3.631 -0.818 -5.568 1.00 0.00 C ATOM 296 O MET A 20 4.638 -1.501 -5.724 1.00 0.00 O ATOM 297 CB MET A 20 1.410 -1.846 -5.077 1.00 0.00 C ATOM 298 CG MET A 20 1.693 -3.267 -5.550 1.00 0.00 C ATOM 299 SD MET A 20 2.018 -4.407 -4.187 1.00 0.00 S ATOM 300 CE MET A 20 0.463 -4.342 -3.300 1.00 0.00 C ATOM 0 H MET A 20 1.219 0.354 -3.958 1.00 0.00 H new ATOM 0 HA MET A 20 3.075 -1.767 -3.727 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.617 -1.876 -4.329 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.033 -1.265 -5.918 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.842 -3.630 -6.126 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.551 -3.257 -6.222 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.353 -5.241 -2.693 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.449 -3.464 -2.654 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.360 -4.282 -4.012 1.00 0.00 H new ATOM 310 N ARG A 21 3.352 0.241 -6.292 1.00 0.00 N ATOM 311 CA ARG A 21 4.237 0.705 -7.346 1.00 0.00 C ATOM 312 C ARG A 21 5.436 1.412 -6.734 1.00 0.00 C ATOM 313 O ARG A 21 6.579 1.186 -7.135 1.00 0.00 O ATOM 314 CB ARG A 21 3.502 1.640 -8.297 1.00 0.00 C ATOM 315 CG ARG A 21 2.410 0.962 -9.100 1.00 0.00 C ATOM 316 CD ARG A 21 1.761 1.932 -10.063 1.00 0.00 C ATOM 317 NE ARG A 21 0.989 2.968 -9.375 1.00 0.00 N ATOM 318 CZ ARG A 21 0.756 4.187 -9.875 1.00 0.00 C ATOM 319 NH1 ARG A 21 1.270 4.541 -11.054 1.00 0.00 N ATOM 320 NH2 ARG A 21 0.016 5.052 -9.197 1.00 0.00 N ATOM 0 H ARG A 21 2.511 0.805 -6.172 1.00 0.00 H new ATOM 0 HA ARG A 21 4.581 -0.157 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.064 2.456 -7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.222 2.084 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.829 0.121 -9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.657 0.556 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.531 2.402 -10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.106 1.384 -10.740 1.00 0.00 H new ATOM 0 HE ARG A 21 0.604 2.747 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.844 3.881 -11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.089 5.472 -11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.377 4.789 -8.293 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.161 5.981 -9.579 1.00 0.00 H new ATOM 334 N GLU A 22 5.153 2.286 -5.774 1.00 0.00 N ATOM 335 CA GLU A 22 6.190 3.002 -5.026 1.00 0.00 C ATOM 336 C GLU A 22 7.222 2.026 -4.474 1.00 0.00 C ATOM 337 O GLU A 22 8.422 2.200 -4.668 1.00 0.00 O ATOM 338 CB GLU A 22 5.554 3.789 -3.873 1.00 0.00 C ATOM 339 CG GLU A 22 6.477 4.787 -3.196 1.00 0.00 C ATOM 340 CD GLU A 22 5.794 5.517 -2.053 1.00 0.00 C ATOM 341 OE1 GLU A 22 6.234 5.362 -0.893 1.00 0.00 O ATOM 342 OE2 GLU A 22 4.812 6.249 -2.307 1.00 0.00 O ATOM 0 H GLU A 22 4.202 2.520 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 22 6.690 3.694 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.682 4.322 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.195 3.083 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.357 4.267 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.826 5.512 -3.931 1.00 0.00 H new ATOM 349 N ALA A 23 6.741 0.984 -3.810 1.00 0.00 N ATOM 350 CA ALA A 23 7.623 -0.017 -3.209 1.00 0.00 C ATOM 351 C ALA A 23 8.365 -0.815 -4.274 1.00 0.00 C ATOM 352 O ALA A 23 9.532 -1.166 -4.094 1.00 0.00 O ATOM 353 CB ALA A 23 6.838 -0.947 -2.301 1.00 0.00 C ATOM 0 H ALA A 23 5.746 0.807 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 23 8.364 0.512 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.512 -1.684 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.368 -0.368 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.069 -1.458 -2.881 1.00 0.00 H new ATOM 359 N GLU A 24 7.684 -1.082 -5.381 1.00 0.00 N ATOM 360 CA GLU A 24 8.252 -1.831 -6.500 1.00 0.00 C ATOM 361 C GLU A 24 9.515 -1.144 -7.023 1.00 0.00 C ATOM 362 O GLU A 24 10.573 -1.761 -7.145 1.00 0.00 O ATOM 363 CB GLU A 24 7.207 -1.914 -7.626 1.00 0.00 C ATOM 364 CG GLU A 24 7.703 -2.519 -8.931 1.00 0.00 C ATOM 365 CD GLU A 24 7.873 -4.015 -8.862 1.00 0.00 C ATOM 366 OE1 GLU A 24 6.850 -4.729 -8.848 1.00 0.00 O ATOM 367 OE2 GLU A 24 9.029 -4.488 -8.854 1.00 0.00 O ATOM 0 H GLU A 24 6.720 -0.786 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 24 8.519 -2.832 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.361 -2.502 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.835 -0.910 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.000 -2.276 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.657 -2.063 -9.197 1.00 0.00 H new ATOM 374 N ARG A 25 9.400 0.144 -7.282 1.00 0.00 N ATOM 375 CA ARG A 25 10.500 0.909 -7.842 1.00 0.00 C ATOM 376 C ARG A 25 11.523 1.293 -6.783 1.00 0.00 C ATOM 377 O ARG A 25 12.730 1.244 -7.031 1.00 0.00 O ATOM 378 CB ARG A 25 9.972 2.153 -8.545 1.00 0.00 C ATOM 379 CG ARG A 25 9.099 1.849 -9.746 1.00 0.00 C ATOM 380 CD ARG A 25 8.612 3.121 -10.405 1.00 0.00 C ATOM 381 NE ARG A 25 7.925 2.855 -11.671 1.00 0.00 N ATOM 382 CZ ARG A 25 7.476 3.808 -12.489 1.00 0.00 C ATOM 383 NH1 ARG A 25 7.569 5.086 -12.135 1.00 0.00 N ATOM 384 NH2 ARG A 25 6.921 3.485 -13.651 1.00 0.00 N ATOM 0 H ARG A 25 8.552 0.686 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 25 11.006 0.274 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.400 2.747 -7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.816 2.764 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.661 1.255 -10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.245 1.247 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.936 3.644 -9.729 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.459 3.784 -10.584 1.00 0.00 H new ATOM 0 HE ARG A 25 7.781 1.883 -11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.984 5.338 -11.238 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.226 5.815 -12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.837 2.505 -13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.579 4.217 -14.274 1.00 0.00 H new ATOM 398 N GLN A 26 11.047 1.659 -5.602 1.00 0.00 N ATOM 399 CA GLN A 26 11.934 2.082 -4.525 1.00 0.00 C ATOM 400 C GLN A 26 12.883 0.960 -4.128 1.00 0.00 C ATOM 401 O GLN A 26 14.082 1.179 -3.974 1.00 0.00 O ATOM 402 CB GLN A 26 11.130 2.553 -3.310 1.00 0.00 C ATOM 403 CG GLN A 26 11.984 3.118 -2.181 1.00 0.00 C ATOM 404 CD GLN A 26 12.759 4.364 -2.579 1.00 0.00 C ATOM 405 OE1 GLN A 26 13.853 4.609 -2.077 1.00 0.00 O ATOM 406 NE2 GLN A 26 12.198 5.160 -3.467 1.00 0.00 N ATOM 0 H GLN A 26 10.055 1.672 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 26 12.527 2.919 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.420 3.315 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.547 1.716 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.342 3.354 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.685 2.353 -1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.288 4.923 -3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.674 6.013 -3.760 1.00 0.00 H new ATOM 415 N GLN A 27 12.347 -0.243 -3.980 1.00 0.00 N ATOM 416 CA GLN A 27 13.154 -1.394 -3.611 1.00 0.00 C ATOM 417 C GLN A 27 14.045 -1.835 -4.759 1.00 0.00 C ATOM 418 O GLN A 27 15.187 -2.266 -4.545 1.00 0.00 O ATOM 419 CB GLN A 27 12.273 -2.549 -3.145 1.00 0.00 C ATOM 420 CG GLN A 27 11.977 -2.527 -1.656 1.00 0.00 C ATOM 421 CD GLN A 27 13.237 -2.697 -0.825 1.00 0.00 C ATOM 422 OE1 GLN A 27 14.201 -3.334 -1.262 1.00 0.00 O ATOM 423 NE2 GLN A 27 13.246 -2.137 0.367 1.00 0.00 N ATOM 0 H GLN A 27 11.356 -0.446 -4.110 1.00 0.00 H new ATOM 0 HA GLN A 27 13.796 -1.094 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.332 -2.521 -3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.761 -3.491 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.495 -1.585 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.273 -3.323 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.430 -1.619 0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.069 -2.222 0.964 1.00 0.00 H new ATOM 432 N ARG A 28 13.534 -1.719 -5.972 1.00 0.00 N ATOM 433 CA ARG A 28 14.290 -2.097 -7.153 1.00 0.00 C ATOM 434 C ARG A 28 15.531 -1.223 -7.295 1.00 0.00 C ATOM 435 O ARG A 28 16.667 -1.712 -7.215 1.00 0.00 O ATOM 436 CB ARG A 28 13.430 -1.963 -8.401 1.00 0.00 C ATOM 437 CG ARG A 28 14.099 -2.470 -9.658 1.00 0.00 C ATOM 438 CD ARG A 28 13.332 -2.054 -10.890 1.00 0.00 C ATOM 439 NE ARG A 28 13.848 -2.695 -12.096 1.00 0.00 N ATOM 440 CZ ARG A 28 14.576 -2.075 -13.024 1.00 0.00 C ATOM 441 NH1 ARG A 28 14.944 -0.807 -12.852 1.00 0.00 N ATOM 442 NH2 ARG A 28 14.958 -2.726 -14.117 1.00 0.00 N ATOM 0 H ARG A 28 12.597 -1.365 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 28 14.597 -3.137 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.499 -2.509 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.166 -0.914 -8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.117 -2.084 -9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.172 -3.557 -9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.280 -2.309 -10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.386 -0.971 -11.003 1.00 0.00 H new ATOM 0 HE ARG A 28 13.637 -3.683 -12.238 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.669 -0.306 -12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.501 -0.336 -13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.694 -3.703 -14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.515 -2.249 -14.826 1.00 0.00 H new ATOM 456 N GLU A 29 15.311 0.073 -7.476 1.00 0.00 N ATOM 457 CA GLU A 29 16.397 1.029 -7.653 1.00 0.00 C ATOM 458 C GLU A 29 17.346 1.031 -6.459 1.00 0.00 C ATOM 459 O GLU A 29 18.536 1.302 -6.609 1.00 0.00 O ATOM 460 CB GLU A 29 15.847 2.435 -7.918 1.00 0.00 C ATOM 461 CG GLU A 29 15.536 2.721 -9.390 1.00 0.00 C ATOM 462 CD GLU A 29 14.626 1.691 -10.033 1.00 0.00 C ATOM 463 OE1 GLU A 29 13.396 1.842 -9.945 1.00 0.00 O ATOM 464 OE2 GLU A 29 15.148 0.726 -10.640 1.00 0.00 O ATOM 0 H GLU A 29 14.380 0.490 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 29 16.971 0.716 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.938 2.573 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 29 16.570 3.169 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.071 3.704 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.471 2.765 -9.948 1.00 0.00 H new ATOM 471 N ARG A 30 16.823 0.704 -5.281 1.00 0.00 N ATOM 472 CA ARG A 30 17.644 0.630 -4.075 1.00 0.00 C ATOM 473 C ARG A 30 18.702 -0.451 -4.227 1.00 0.00 C ATOM 474 O ARG A 30 19.874 -0.237 -3.932 1.00 0.00 O ATOM 475 CB ARG A 30 16.787 0.317 -2.856 1.00 0.00 C ATOM 476 CG ARG A 30 17.551 0.362 -1.550 1.00 0.00 C ATOM 477 CD ARG A 30 16.707 -0.137 -0.399 1.00 0.00 C ATOM 478 NE ARG A 30 16.420 -1.572 -0.504 1.00 0.00 N ATOM 479 CZ ARG A 30 16.932 -2.507 0.308 1.00 0.00 C ATOM 480 NH1 ARG A 30 17.780 -2.168 1.270 1.00 0.00 N ATOM 481 NH2 ARG A 30 16.583 -3.777 0.156 1.00 0.00 N ATOM 0 H ARG A 30 15.837 0.486 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 30 18.124 1.599 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 30 15.963 1.028 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.347 -0.673 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.452 -0.246 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.873 1.384 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.223 0.061 0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.769 0.418 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 30 15.789 -1.878 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.046 -1.191 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.166 -2.884 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.926 -4.041 -0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.972 -4.490 0.773 1.00 0.00 H new ATOM 495 N SER A 31 18.277 -1.601 -4.727 1.00 0.00 N ATOM 496 CA SER A 31 19.167 -2.736 -4.909 1.00 0.00 C ATOM 497 C SER A 31 20.169 -2.439 -6.023 1.00 0.00 C ATOM 498 O SER A 31 21.250 -3.019 -6.081 1.00 0.00 O ATOM 499 CB SER A 31 18.346 -3.985 -5.240 1.00 0.00 C ATOM 500 OG SER A 31 17.309 -4.173 -4.283 1.00 0.00 O ATOM 0 H SER A 31 17.314 -1.773 -5.016 1.00 0.00 H new ATOM 0 HA SER A 31 19.720 -2.915 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.915 -3.890 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.996 -4.860 -5.256 1.00 0.00 H new ATOM 0 HG SER A 31 16.591 -3.526 -4.447 1.00 0.00 H new ATOM 506 N ASN A 32 19.799 -1.508 -6.888 1.00 0.00 N ATOM 507 CA ASN A 32 20.663 -1.104 -7.992 1.00 0.00 C ATOM 508 C ASN A 32 21.713 -0.125 -7.509 1.00 0.00 C ATOM 509 O ASN A 32 22.885 -0.248 -7.839 1.00 0.00 O ATOM 510 CB ASN A 32 19.858 -0.490 -9.149 1.00 0.00 C ATOM 511 CG ASN A 32 19.023 -1.509 -9.913 1.00 0.00 C ATOM 512 OD1 ASN A 32 18.854 -1.399 -11.127 1.00 0.00 O ATOM 513 ND2 ASN A 32 18.478 -2.485 -9.214 1.00 0.00 N ATOM 0 H ASN A 32 18.906 -1.016 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 32 21.156 -2.000 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.200 0.284 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.545 -0.002 -9.841 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.894 -3.181 -9.678 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.640 -2.545 -8.209 1.00 0.00 H new ATOM 862 N LEU A 56 -2.183 -9.656 -5.543 1.00 0.00 N ATOM 863 CA LEU A 56 -3.560 -9.336 -5.248 1.00 0.00 C ATOM 864 C LEU A 56 -4.470 -10.153 -6.144 1.00 0.00 C ATOM 865 O LEU A 56 -4.830 -9.733 -7.242 1.00 0.00 O ATOM 866 CB LEU A 56 -3.831 -7.845 -5.430 1.00 0.00 C ATOM 867 CG LEU A 56 -5.180 -7.346 -4.901 1.00 0.00 C ATOM 868 CD1 LEU A 56 -5.275 -7.565 -3.401 1.00 0.00 C ATOM 869 CD2 LEU A 56 -5.376 -5.874 -5.238 1.00 0.00 C ATOM 0 HA LEU A 56 -3.760 -9.583 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.038 -7.287 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.769 -7.610 -6.493 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.972 -7.917 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.239 -7.205 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.180 -8.628 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.475 -7.019 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.339 -5.538 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.579 -5.287 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.350 -5.742 -6.320 1.00 0.00 H new ATOM 881 N SER A 57 -4.802 -11.330 -5.685 1.00 0.00 N ATOM 882 CA SER A 57 -5.640 -12.239 -6.430 1.00 0.00 C ATOM 883 C SER A 57 -7.100 -11.776 -6.376 1.00 0.00 C ATOM 884 O SER A 57 -7.493 -11.080 -5.438 1.00 0.00 O ATOM 885 CB SER A 57 -5.515 -13.631 -5.822 1.00 0.00 C ATOM 886 OG SER A 57 -4.207 -13.839 -5.296 1.00 0.00 O ATOM 0 H SER A 57 -4.499 -11.690 -4.780 1.00 0.00 H new ATOM 0 HA SER A 57 -5.322 -12.259 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.254 -13.754 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.731 -14.384 -6.580 1.00 0.00 H new ATOM 0 HG SER A 57 -4.149 -14.738 -4.909 1.00 0.00 H new ATOM 892 N PRO A 58 -7.912 -12.133 -7.393 1.00 0.00 N ATOM 893 CA PRO A 58 -9.347 -11.810 -7.421 1.00 0.00 C ATOM 894 C PRO A 58 -10.052 -12.135 -6.100 1.00 0.00 C ATOM 895 O PRO A 58 -10.931 -11.391 -5.652 1.00 0.00 O ATOM 896 CB PRO A 58 -9.879 -12.699 -8.540 1.00 0.00 C ATOM 897 CG PRO A 58 -8.731 -12.845 -9.476 1.00 0.00 C ATOM 898 CD PRO A 58 -7.484 -12.831 -8.625 1.00 0.00 C ATOM 0 HA PRO A 58 -9.522 -10.745 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.205 -13.666 -8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.738 -12.245 -9.033 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.806 -13.774 -10.040 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.715 -12.032 -10.202 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.132 -13.841 -8.412 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.667 -12.306 -9.120 1.00 0.00 H new ATOM 906 N ILE A 59 -9.659 -13.236 -5.474 1.00 0.00 N ATOM 907 CA ILE A 59 -10.236 -13.637 -4.192 1.00 0.00 C ATOM 908 C ILE A 59 -9.785 -12.692 -3.084 1.00 0.00 C ATOM 909 O ILE A 59 -10.582 -12.256 -2.259 1.00 0.00 O ATOM 910 CB ILE A 59 -9.852 -15.095 -3.814 1.00 0.00 C ATOM 911 CG1 ILE A 59 -10.436 -15.466 -2.449 1.00 0.00 C ATOM 912 CG2 ILE A 59 -8.337 -15.302 -3.832 1.00 0.00 C ATOM 913 CD1 ILE A 59 -9.967 -16.800 -1.928 1.00 0.00 C ATOM 0 H ILE A 59 -8.943 -13.869 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 59 -11.319 -13.586 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 59 -10.280 -15.757 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -10.171 -14.692 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.524 -15.477 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.107 -16.333 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.953 -15.094 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.869 -14.627 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.424 -16.992 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.255 -17.585 -2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.882 -16.788 -1.823 1.00 0.00 H new ATOM 925 N GLU A 60 -8.500 -12.389 -3.089 1.00 0.00 N ATOM 926 CA GLU A 60 -7.898 -11.473 -2.130 1.00 0.00 C ATOM 927 C GLU A 60 -8.609 -10.130 -2.199 1.00 0.00 C ATOM 928 O GLU A 60 -8.937 -9.523 -1.180 1.00 0.00 O ATOM 929 CB GLU A 60 -6.420 -11.280 -2.472 1.00 0.00 C ATOM 930 CG GLU A 60 -5.521 -11.096 -1.273 1.00 0.00 C ATOM 931 CD GLU A 60 -5.277 -12.394 -0.547 1.00 0.00 C ATOM 932 OE1 GLU A 60 -6.086 -12.757 0.324 1.00 0.00 O ATOM 933 OE2 GLU A 60 -4.268 -13.062 -0.847 1.00 0.00 O ATOM 0 H GLU A 60 -7.837 -12.773 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.991 -11.885 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.075 -12.144 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.321 -10.411 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.568 -10.676 -1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.971 -10.377 -0.589 1.00 0.00 H new ATOM 940 N ARG A 61 -8.862 -9.699 -3.420 1.00 0.00 N ATOM 941 CA ARG A 61 -9.538 -8.436 -3.687 1.00 0.00 C ATOM 942 C ARG A 61 -10.956 -8.462 -3.138 1.00 0.00 C ATOM 943 O ARG A 61 -11.388 -7.526 -2.473 1.00 0.00 O ATOM 944 CB ARG A 61 -9.547 -8.155 -5.195 1.00 0.00 C ATOM 945 CG ARG A 61 -10.300 -6.893 -5.615 1.00 0.00 C ATOM 946 CD ARG A 61 -9.775 -5.652 -4.912 1.00 0.00 C ATOM 947 NE ARG A 61 -9.871 -4.462 -5.771 1.00 0.00 N ATOM 948 CZ ARG A 61 -10.595 -3.366 -5.501 1.00 0.00 C ATOM 949 NH1 ARG A 61 -11.334 -3.298 -4.404 1.00 0.00 N ATOM 950 NH2 ARG A 61 -10.584 -2.343 -6.343 1.00 0.00 N ATOM 0 H ARG A 61 -8.605 -10.215 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.996 -7.635 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.516 -8.076 -5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.990 -9.010 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.213 -6.762 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.360 -7.013 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.340 -5.486 -3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.736 -5.809 -4.622 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.343 -4.471 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.356 -4.084 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.881 -2.459 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.025 -2.390 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.134 -1.509 -6.139 1.00 0.00 H new ATOM 964 N LEU A 62 -11.658 -9.537 -3.421 1.00 0.00 N ATOM 965 CA LEU A 62 -13.028 -9.719 -2.950 1.00 0.00 C ATOM 966 C LEU A 62 -13.081 -9.779 -1.427 1.00 0.00 C ATOM 967 O LEU A 62 -13.974 -9.199 -0.804 1.00 0.00 O ATOM 968 CB LEU A 62 -13.634 -10.990 -3.537 1.00 0.00 C ATOM 969 CG LEU A 62 -15.110 -11.216 -3.218 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.976 -10.211 -3.961 1.00 0.00 C ATOM 971 CD2 LEU A 62 -15.522 -12.640 -3.554 1.00 0.00 C ATOM 0 H LEU A 62 -11.304 -10.312 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.610 -8.860 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.513 -10.964 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.065 -11.846 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.257 -11.067 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.025 -10.387 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.700 -9.200 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.825 -10.324 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.577 -12.779 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.360 -12.825 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.925 -13.339 -2.969 1.00 0.00 H new ATOM 983 N GLN A 63 -12.129 -10.481 -0.831 1.00 0.00 N ATOM 984 CA GLN A 63 -12.051 -10.586 0.620 1.00 0.00 C ATOM 985 C GLN A 63 -11.882 -9.202 1.231 1.00 0.00 C ATOM 986 O GLN A 63 -12.579 -8.833 2.180 1.00 0.00 O ATOM 987 CB GLN A 63 -10.878 -11.484 1.015 1.00 0.00 C ATOM 988 CG GLN A 63 -11.278 -12.726 1.797 1.00 0.00 C ATOM 989 CD GLN A 63 -12.362 -13.534 1.106 1.00 0.00 C ATOM 990 OE1 GLN A 63 -13.548 -13.343 1.357 1.00 0.00 O ATOM 991 NE2 GLN A 63 -11.962 -14.429 0.225 1.00 0.00 N ATOM 0 H GLN A 63 -11.398 -10.988 -1.330 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.974 -11.027 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.350 -11.791 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.176 -10.903 1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.400 -13.355 1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.627 -12.430 2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.966 -14.558 0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.648 -14.993 -0.277 1.00 0.00 H new ATOM 1000 N LEU A 64 -10.954 -8.444 0.665 1.00 0.00 N ATOM 1001 CA LEU A 64 -10.683 -7.088 1.107 1.00 0.00 C ATOM 1002 C LEU A 64 -11.868 -6.187 0.820 1.00 0.00 C ATOM 1003 O LEU A 64 -12.110 -5.221 1.537 1.00 0.00 O ATOM 1004 CB LEU A 64 -9.420 -6.548 0.436 1.00 0.00 C ATOM 1005 CG LEU A 64 -8.126 -7.303 0.766 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -6.970 -6.760 -0.050 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -7.815 -7.217 2.256 1.00 0.00 C ATOM 0 H LEU A 64 -10.370 -8.753 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.519 -7.104 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.566 -6.567 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.295 -5.504 0.723 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.269 -8.352 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.061 -7.308 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.187 -6.878 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.830 -5.703 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.893 -7.759 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.695 -6.172 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.634 -7.658 2.825 1.00 0.00 H new ATOM 1019 N GLU A 65 -12.603 -6.508 -0.233 1.00 0.00 N ATOM 1020 CA GLU A 65 -13.801 -5.779 -0.576 1.00 0.00 C ATOM 1021 C GLU A 65 -14.812 -5.918 0.523 1.00 0.00 C ATOM 1022 O GLU A 65 -15.407 -4.935 0.958 1.00 0.00 O ATOM 1023 CB GLU A 65 -14.362 -6.258 -1.925 1.00 0.00 C ATOM 1024 CG GLU A 65 -15.745 -5.722 -2.270 1.00 0.00 C ATOM 1025 CD GLU A 65 -16.111 -5.956 -3.717 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -15.545 -5.274 -4.592 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -16.976 -6.813 -3.989 1.00 0.00 O ATOM 0 H GLU A 65 -12.383 -7.277 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.558 -4.722 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.668 -5.968 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.401 -7.347 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.486 -6.199 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.781 -4.653 -2.058 1.00 0.00 H new ATOM 1034 N ASP A 66 -14.973 -7.130 0.999 1.00 0.00 N ATOM 1035 CA ASP A 66 -15.889 -7.388 2.097 1.00 0.00 C ATOM 1036 C ASP A 66 -15.436 -6.628 3.340 1.00 0.00 C ATOM 1037 O ASP A 66 -16.246 -6.042 4.070 1.00 0.00 O ATOM 1038 CB ASP A 66 -15.978 -8.885 2.390 1.00 0.00 C ATOM 1039 CG ASP A 66 -17.010 -9.206 3.453 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -18.187 -9.410 3.099 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -16.652 -9.256 4.650 1.00 0.00 O ATOM 0 H ASP A 66 -14.486 -7.954 0.648 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.882 -7.041 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.228 -9.418 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.002 -9.248 2.714 1.00 0.00 H new ATOM 1046 N VAL A 67 -14.130 -6.624 3.548 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.514 -5.905 4.660 1.00 0.00 C ATOM 1048 C VAL A 67 -13.825 -4.411 4.575 1.00 0.00 C ATOM 1049 O VAL A 67 -14.159 -3.778 5.575 1.00 0.00 O ATOM 1050 CB VAL A 67 -11.970 -6.105 4.670 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -11.306 -5.223 5.719 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -11.621 -7.563 4.911 1.00 0.00 C ATOM 0 H VAL A 67 -13.464 -7.117 2.954 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.931 -6.311 5.582 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.591 -5.811 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.228 -5.385 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.519 -4.176 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.695 -5.475 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.538 -7.682 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.024 -7.879 5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.051 -8.176 4.119 1.00 0.00 H new ATOM 1062 N CYS A 68 -13.748 -3.867 3.372 1.00 0.00 N ATOM 1063 CA CYS A 68 -13.980 -2.456 3.160 1.00 0.00 C ATOM 1064 C CYS A 68 -15.444 -2.120 3.340 1.00 0.00 C ATOM 1065 O CYS A 68 -15.788 -1.019 3.763 1.00 0.00 O ATOM 1066 CB CYS A 68 -13.511 -2.040 1.780 1.00 0.00 C ATOM 1067 SG CYS A 68 -13.765 -0.295 1.420 1.00 0.00 S ATOM 0 H CYS A 68 -13.525 -4.389 2.525 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.406 -1.903 3.904 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -12.450 -2.271 1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -14.037 -2.635 1.033 1.00 0.00 H new ATOM 0 HG CYS A 68 -14.690 0.179 2.201 1.00 0.00 H new ATOM 1073 N VAL A 69 -16.304 -3.067 2.995 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.739 -2.901 3.203 1.00 0.00 C ATOM 1075 C VAL A 69 -18.039 -2.629 4.687 1.00 0.00 C ATOM 1076 O VAL A 69 -18.927 -1.837 5.021 1.00 0.00 O ATOM 1077 CB VAL A 69 -18.529 -4.145 2.727 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -19.991 -4.034 3.103 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -18.389 -4.321 1.228 1.00 0.00 C ATOM 0 H VAL A 69 -16.037 -3.956 2.571 1.00 0.00 H new ATOM 0 HA VAL A 69 -18.060 -2.046 2.608 1.00 0.00 H new ATOM 0 HB VAL A 69 -18.111 -5.020 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -20.524 -4.920 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.083 -3.955 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.420 -3.147 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -18.950 -5.200 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -18.779 -3.439 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -17.337 -4.451 0.974 1.00 0.00 H new ATOM 1089 N LYS A 70 -17.286 -3.283 5.568 1.00 0.00 N ATOM 1090 CA LYS A 70 -17.446 -3.074 7.009 1.00 0.00 C ATOM 1091 C LYS A 70 -16.852 -1.732 7.444 1.00 0.00 C ATOM 1092 O LYS A 70 -17.317 -1.121 8.410 1.00 0.00 O ATOM 1093 CB LYS A 70 -16.795 -4.207 7.813 1.00 0.00 C ATOM 1094 CG LYS A 70 -17.671 -5.437 8.031 1.00 0.00 C ATOM 1095 CD LYS A 70 -17.923 -6.210 6.748 1.00 0.00 C ATOM 1096 CE LYS A 70 -18.728 -7.468 7.025 1.00 0.00 C ATOM 1097 NZ LYS A 70 -19.017 -8.234 5.791 1.00 0.00 N ATOM 0 H LYS A 70 -16.564 -3.957 5.315 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.517 -3.069 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.883 -4.516 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.498 -3.816 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.194 -6.094 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.625 -5.128 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.458 -5.580 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.972 -6.476 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.180 -8.101 7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.666 -7.197 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.834 -8.857 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.232 -7.575 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.188 -8.808 5.537 1.00 0.00 H new ATOM 1111 N ILE A 71 -15.832 -1.283 6.723 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.162 -0.031 7.023 1.00 0.00 C ATOM 1113 C ILE A 71 -16.097 1.155 6.856 1.00 0.00 C ATOM 1114 O ILE A 71 -16.825 1.271 5.866 1.00 0.00 O ATOM 1115 CB ILE A 71 -13.886 0.172 6.162 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -12.846 -0.902 6.500 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -13.302 1.572 6.367 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -11.519 -0.712 5.798 1.00 0.00 C ATOM 0 H ILE A 71 -15.449 -1.777 5.917 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.856 -0.089 8.068 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.161 0.076 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.679 -0.906 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.249 -1.880 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.409 1.687 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.040 2.320 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.040 1.707 7.416 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.836 -1.511 6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.671 -0.739 4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.092 0.250 6.081 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.075 2.023 7.835 1.00 0.00 N ATOM 1131 CA HIS A 72 -16.915 3.204 7.836 1.00 0.00 C ATOM 1132 C HIS A 72 -16.266 4.332 7.031 1.00 0.00 C ATOM 1133 O HIS A 72 -15.043 4.504 7.065 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.211 3.656 9.267 1.00 0.00 C ATOM 1135 CG HIS A 72 -17.894 2.611 10.093 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -17.494 2.281 11.368 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -18.954 1.817 9.817 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -18.279 1.325 11.838 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -19.171 1.029 10.916 1.00 0.00 N ATOM 0 H HIS A 72 -15.476 1.935 8.656 1.00 0.00 H new ATOM 0 HA HIS A 72 -17.861 2.950 7.359 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -16.276 3.937 9.752 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -17.835 4.549 9.236 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -19.524 1.806 8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -18.201 0.866 12.812 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -19.905 0.326 11.006 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.094 5.120 6.315 1.00 0.00 N ATOM 1148 CA PRO A 73 -16.646 6.191 5.409 1.00 0.00 C ATOM 1149 C PRO A 73 -15.504 7.072 5.941 1.00 0.00 C ATOM 1150 O PRO A 73 -14.434 7.118 5.347 1.00 0.00 O ATOM 1151 CB PRO A 73 -17.916 7.041 5.184 1.00 0.00 C ATOM 1152 CG PRO A 73 -18.970 6.442 6.066 1.00 0.00 C ATOM 1153 CD PRO A 73 -18.552 5.026 6.321 1.00 0.00 C ATOM 0 HA PRO A 73 -16.221 5.752 4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.738 8.085 5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.222 7.018 4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.055 6.996 7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.947 6.478 5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.931 4.657 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -18.918 4.350 5.549 1.00 0.00 H new ATOM 1161 N SER A 74 -15.718 7.746 7.061 1.00 0.00 N ATOM 1162 CA SER A 74 -14.746 8.713 7.573 1.00 0.00 C ATOM 1163 C SER A 74 -13.506 8.056 8.205 1.00 0.00 C ATOM 1164 O SER A 74 -12.540 8.739 8.526 1.00 0.00 O ATOM 1165 CB SER A 74 -15.430 9.614 8.597 1.00 0.00 C ATOM 1166 OG SER A 74 -16.715 10.014 8.135 1.00 0.00 O ATOM 0 H SER A 74 -16.554 7.644 7.636 1.00 0.00 H new ATOM 0 HA SER A 74 -14.389 9.292 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.527 9.086 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.815 10.494 8.783 1.00 0.00 H new ATOM 0 HG SER A 74 -17.139 10.590 8.805 1.00 0.00 H new ATOM 1172 N TYR A 75 -13.528 6.745 8.372 1.00 0.00 N ATOM 1173 CA TYR A 75 -12.422 6.052 9.038 1.00 0.00 C ATOM 1174 C TYR A 75 -11.311 5.698 8.072 1.00 0.00 C ATOM 1175 O TYR A 75 -10.162 5.519 8.477 1.00 0.00 O ATOM 1176 CB TYR A 75 -12.926 4.806 9.765 1.00 0.00 C ATOM 1177 CG TYR A 75 -13.767 5.122 10.980 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -15.031 5.676 10.846 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -13.291 4.876 12.258 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -15.800 5.979 11.950 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -14.055 5.173 13.373 1.00 0.00 C ATOM 1182 CZ TYR A 75 -15.310 5.726 13.212 1.00 0.00 C ATOM 1183 OH TYR A 75 -16.076 6.031 14.315 1.00 0.00 O ATOM 0 H TYR A 75 -14.287 6.138 8.062 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.004 6.739 9.773 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.513 4.202 9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.072 4.201 10.070 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.421 5.874 9.858 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.309 4.446 12.386 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -16.781 6.412 11.826 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -13.672 4.974 14.363 1.00 0.00 H new ATOM 0 HH TYR A 75 -15.587 5.790 15.130 1.00 0.00 H new ATOM 1193 N CYS A 76 -11.652 5.595 6.802 1.00 0.00 N ATOM 1194 CA CYS A 76 -10.671 5.271 5.782 1.00 0.00 C ATOM 1195 C CYS A 76 -9.604 6.348 5.692 1.00 0.00 C ATOM 1196 O CYS A 76 -8.428 6.044 5.580 1.00 0.00 O ATOM 1197 CB CYS A 76 -11.340 5.052 4.422 1.00 0.00 C ATOM 1198 SG CYS A 76 -12.121 6.523 3.714 1.00 0.00 S ATOM 0 H CYS A 76 -12.600 5.731 6.451 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.187 4.338 6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.592 4.682 3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.094 4.272 4.525 1.00 0.00 H new ATOM 0 HG CYS A 76 -12.933 7.045 4.585 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.038 7.602 5.750 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.127 8.745 5.698 1.00 0.00 C ATOM 1206 C GLY A 77 -7.936 8.587 6.621 1.00 0.00 C ATOM 1207 O GLY A 77 -6.803 8.465 6.147 1.00 0.00 O ATOM 0 H GLY A 77 -11.022 7.856 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.774 8.876 4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.671 9.651 5.966 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.157 8.593 7.950 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.090 8.376 8.919 1.00 0.00 C ATOM 1213 C PRO A 78 -6.315 7.098 8.617 1.00 0.00 C ATOM 1214 O PRO A 78 -5.093 7.122 8.536 1.00 0.00 O ATOM 1215 CB PRO A 78 -7.834 8.248 10.250 1.00 0.00 C ATOM 1216 CG PRO A 78 -9.087 9.019 10.052 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.455 8.843 8.605 1.00 0.00 C ATOM 0 HA PRO A 78 -6.353 9.179 8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.043 7.205 10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.246 8.652 11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.879 8.651 10.704 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.940 10.072 10.292 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.143 8.010 8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.943 9.731 8.204 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.043 5.975 8.483 1.00 0.00 N ATOM 1226 CA ALA A 79 -6.431 4.678 8.149 1.00 0.00 C ATOM 1227 C ALA A 79 -5.430 4.796 7.011 1.00 0.00 C ATOM 1228 O ALA A 79 -4.330 4.264 7.087 1.00 0.00 O ATOM 1229 CB ALA A 79 -7.505 3.656 7.805 1.00 0.00 C ATOM 0 H ALA A 79 -8.056 5.940 8.601 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.886 4.340 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.036 2.703 7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.169 3.525 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.080 4.007 6.948 1.00 0.00 H new ATOM 1235 N ILE A 80 -5.815 5.505 5.979 1.00 0.00 N ATOM 1236 CA ILE A 80 -4.961 5.703 4.828 1.00 0.00 C ATOM 1237 C ILE A 80 -3.735 6.545 5.177 1.00 0.00 C ATOM 1238 O ILE A 80 -2.596 6.178 4.861 1.00 0.00 O ATOM 1239 CB ILE A 80 -5.736 6.341 3.661 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -6.774 5.356 3.130 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -4.790 6.783 2.545 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -7.737 5.968 2.152 1.00 0.00 C ATOM 0 H ILE A 80 -6.725 5.961 5.910 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.615 4.719 4.512 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.247 7.230 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.260 4.523 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.334 4.943 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.367 7.230 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.084 7.516 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.244 5.919 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.445 5.211 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.278 6.782 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.187 6.356 1.294 1.00 0.00 H new ATOM 1254 N LEU A 81 -3.979 7.652 5.837 1.00 0.00 N ATOM 1255 CA LEU A 81 -2.917 8.565 6.252 1.00 0.00 C ATOM 1256 C LEU A 81 -1.909 7.851 7.142 1.00 0.00 C ATOM 1257 O LEU A 81 -0.696 7.936 6.924 1.00 0.00 O ATOM 1258 CB LEU A 81 -3.507 9.770 6.993 1.00 0.00 C ATOM 1259 CG LEU A 81 -4.494 10.630 6.197 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -5.026 11.765 7.058 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -3.839 11.177 4.936 1.00 0.00 C ATOM 0 H LEU A 81 -4.916 7.954 6.106 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.403 8.916 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.011 9.409 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.686 10.406 7.323 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.332 10.000 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.726 12.366 6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.537 11.353 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.197 12.391 7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.558 11.784 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.980 11.790 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.509 10.349 4.309 1.00 0.00 H new ATOM 1273 N ARG A 82 -2.417 7.124 8.127 1.00 0.00 N ATOM 1274 CA ARG A 82 -1.569 6.397 9.049 1.00 0.00 C ATOM 1275 C ARG A 82 -0.895 5.233 8.352 1.00 0.00 C ATOM 1276 O ARG A 82 0.203 4.839 8.722 1.00 0.00 O ATOM 1277 CB ARG A 82 -2.357 5.897 10.262 1.00 0.00 C ATOM 1278 CG ARG A 82 -3.070 6.994 11.033 1.00 0.00 C ATOM 1279 CD ARG A 82 -3.523 6.504 12.397 1.00 0.00 C ATOM 1280 NE ARG A 82 -2.393 6.329 13.313 1.00 0.00 N ATOM 1281 CZ ARG A 82 -2.475 5.750 14.514 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -3.612 5.190 14.913 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -1.410 5.716 15.307 1.00 0.00 N ATOM 0 H ARG A 82 -3.416 7.024 8.305 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.805 7.089 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.093 5.166 9.928 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.675 5.378 10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.404 7.848 11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.933 7.340 10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.230 7.216 12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.052 5.557 12.286 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.481 6.673 13.013 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.428 5.201 14.301 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.669 4.749 15.831 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.531 6.132 14.999 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.471 5.274 16.224 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.551 4.682 7.334 1.00 0.00 N ATOM 1298 CA PHE A 83 -0.970 3.587 6.583 1.00 0.00 C ATOM 1299 C PHE A 83 0.301 4.048 5.886 1.00 0.00 C ATOM 1300 O PHE A 83 1.332 3.381 5.957 1.00 0.00 O ATOM 1301 CB PHE A 83 -1.962 2.997 5.565 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.384 1.857 4.782 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -0.609 0.890 5.410 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -1.594 1.756 3.422 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.057 -0.143 4.693 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -1.046 0.717 2.702 1.00 0.00 C ATOM 1307 CZ PHE A 83 -0.274 -0.230 3.341 1.00 0.00 C ATOM 0 H PHE A 83 -2.475 4.976 7.017 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.724 2.794 7.289 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.854 2.655 6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.278 3.781 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.439 0.951 6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.194 2.499 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.547 -0.886 5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.221 0.644 1.639 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.161 -1.042 2.776 1.00 0.00 H new ATOM 1317 N ARG A 84 0.238 5.205 5.238 1.00 0.00 N ATOM 1318 CA ARG A 84 1.414 5.749 4.575 1.00 0.00 C ATOM 1319 C ARG A 84 2.448 6.160 5.599 1.00 0.00 C ATOM 1320 O ARG A 84 3.651 6.021 5.371 1.00 0.00 O ATOM 1321 CB ARG A 84 1.065 6.923 3.645 1.00 0.00 C ATOM 1322 CG ARG A 84 2.299 7.633 3.088 1.00 0.00 C ATOM 1323 CD ARG A 84 1.974 8.503 1.886 1.00 0.00 C ATOM 1324 NE ARG A 84 1.615 7.704 0.710 1.00 0.00 N ATOM 1325 CZ ARG A 84 2.491 7.270 -0.216 1.00 0.00 C ATOM 1326 NH1 ARG A 84 3.790 7.495 -0.076 1.00 0.00 N ATOM 1327 NH2 ARG A 84 2.066 6.590 -1.265 1.00 0.00 N ATOM 0 H ARG A 84 -0.603 5.777 5.158 1.00 0.00 H new ATOM 0 HA ARG A 84 1.832 4.962 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.460 6.555 2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.455 7.642 4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.744 8.249 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.045 6.890 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.150 9.172 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.834 9.130 1.649 1.00 0.00 H new ATOM 0 HE ARG A 84 0.633 7.460 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.135 8.001 0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.445 7.162 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.072 6.392 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.732 6.263 -1.965 1.00 0.00 H new ATOM 1341 N GLN A 85 1.979 6.655 6.725 1.00 0.00 N ATOM 1342 CA GLN A 85 2.857 7.022 7.813 1.00 0.00 C ATOM 1343 C GLN A 85 3.623 5.797 8.294 1.00 0.00 C ATOM 1344 O GLN A 85 4.836 5.845 8.486 1.00 0.00 O ATOM 1345 CB GLN A 85 2.049 7.623 8.968 1.00 0.00 C ATOM 1346 CG GLN A 85 2.892 8.074 10.154 1.00 0.00 C ATOM 1347 CD GLN A 85 3.838 9.203 9.803 1.00 0.00 C ATOM 1348 OE1 GLN A 85 4.982 8.979 9.409 1.00 0.00 O ATOM 1349 NE2 GLN A 85 3.371 10.421 9.946 1.00 0.00 N ATOM 0 H GLN A 85 0.988 6.813 6.910 1.00 0.00 H new ATOM 0 HA GLN A 85 3.566 7.770 7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.482 8.476 8.595 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.324 6.885 9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.234 8.395 10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.467 7.227 10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.417 10.566 10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.962 11.223 9.728 1.00 0.00 H new ATOM 1358 N LEU A 86 2.915 4.683 8.440 1.00 0.00 N ATOM 1359 CA LEU A 86 3.526 3.459 8.953 1.00 0.00 C ATOM 1360 C LEU A 86 4.402 2.802 7.914 1.00 0.00 C ATOM 1361 O LEU A 86 5.517 2.413 8.204 1.00 0.00 O ATOM 1362 CB LEU A 86 2.460 2.475 9.437 1.00 0.00 C ATOM 1363 CG LEU A 86 1.686 2.897 10.684 1.00 0.00 C ATOM 1364 CD1 LEU A 86 0.578 1.903 10.986 1.00 0.00 C ATOM 1365 CD2 LEU A 86 2.624 3.029 11.877 1.00 0.00 C ATOM 0 H LEU A 86 1.924 4.600 8.213 1.00 0.00 H new ATOM 0 HA LEU A 86 4.152 3.741 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.748 2.312 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.940 1.517 9.637 1.00 0.00 H new ATOM 0 HG LEU A 86 1.233 3.870 10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.038 2.220 11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.110 1.857 10.142 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.010 0.917 11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.054 3.330 12.756 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.106 2.070 12.068 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.383 3.781 11.661 1.00 0.00 H new ATOM 1377 N LEU A 87 3.886 2.681 6.713 1.00 0.00 N ATOM 1378 CA LEU A 87 4.606 2.072 5.605 1.00 0.00 C ATOM 1379 C LEU A 87 5.939 2.751 5.369 1.00 0.00 C ATOM 1380 O LEU A 87 6.933 2.112 5.046 1.00 0.00 O ATOM 1381 CB LEU A 87 3.746 2.125 4.347 1.00 0.00 C ATOM 1382 CG LEU A 87 4.430 1.723 3.052 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.464 0.965 2.186 1.00 0.00 C ATOM 1384 CD2 LEU A 87 4.940 2.949 2.310 1.00 0.00 C ATOM 0 H LEU A 87 2.949 3.003 6.470 1.00 0.00 H new ATOM 0 HA LEU A 87 4.812 1.032 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.882 1.477 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.366 3.140 4.234 1.00 0.00 H new ATOM 0 HG LEU A 87 5.282 1.086 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.956 0.677 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.129 0.071 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.605 1.597 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.427 2.638 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.103 3.607 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.656 3.481 2.936 1.00 0.00 H new ATOM 1396 N ALA A 88 5.945 4.029 5.552 1.00 0.00 N ATOM 1397 CA ALA A 88 7.129 4.819 5.356 1.00 0.00 C ATOM 1398 C ALA A 88 8.037 4.701 6.550 1.00 0.00 C ATOM 1399 O ALA A 88 9.255 4.807 6.437 1.00 0.00 O ATOM 1400 CB ALA A 88 6.764 6.261 5.104 1.00 0.00 C ATOM 0 H ALA A 88 5.127 4.564 5.844 1.00 0.00 H new ATOM 0 HA ALA A 88 7.659 4.443 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.672 6.846 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.141 6.328 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.215 6.652 5.960 1.00 0.00 H new ATOM 1406 N GLU A 89 7.436 4.462 7.686 1.00 0.00 N ATOM 1407 CA GLU A 89 8.163 4.308 8.925 1.00 0.00 C ATOM 1408 C GLU A 89 8.840 2.946 8.953 1.00 0.00 C ATOM 1409 O GLU A 89 9.976 2.805 9.408 1.00 0.00 O ATOM 1410 CB GLU A 89 7.204 4.446 10.107 1.00 0.00 C ATOM 1411 CG GLU A 89 7.876 4.482 11.463 1.00 0.00 C ATOM 1412 CD GLU A 89 6.888 4.315 12.594 1.00 0.00 C ATOM 1413 OE1 GLU A 89 6.854 3.223 13.192 1.00 0.00 O ATOM 1414 OE2 GLU A 89 6.130 5.264 12.883 1.00 0.00 O ATOM 0 H GLU A 89 6.425 4.368 7.781 1.00 0.00 H new ATOM 0 HA GLU A 89 8.925 5.084 8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.621 5.358 9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.501 3.613 10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.624 3.691 11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.403 5.429 11.580 1.00 0.00 H new ATOM 1421 N GLN A 90 8.124 1.946 8.470 1.00 0.00 N ATOM 1422 CA GLN A 90 8.640 0.576 8.400 1.00 0.00 C ATOM 1423 C GLN A 90 9.554 0.398 7.197 1.00 0.00 C ATOM 1424 O GLN A 90 10.161 -0.660 7.029 1.00 0.00 O ATOM 1425 CB GLN A 90 7.494 -0.450 8.306 1.00 0.00 C ATOM 1426 CG GLN A 90 6.405 -0.313 9.365 1.00 0.00 C ATOM 1427 CD GLN A 90 6.948 -0.193 10.770 1.00 0.00 C ATOM 1428 OE1 GLN A 90 7.193 -1.190 11.445 1.00 0.00 O ATOM 1429 NE2 GLN A 90 7.108 1.028 11.227 1.00 0.00 N ATOM 0 H GLN A 90 7.173 2.052 8.115 1.00 0.00 H new ATOM 0 HA GLN A 90 9.204 0.403 9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.033 -0.365 7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.919 -1.451 8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.799 0.565 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.745 -1.179 9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.892 1.828 10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.448 1.176 12.177 1.00 0.00 H new ATOM 1438 N GLU A 91 9.634 1.445 6.360 1.00 0.00 N ATOM 1439 CA GLU A 91 10.447 1.438 5.132 1.00 0.00 C ATOM 1440 C GLU A 91 9.743 0.681 4.008 1.00 0.00 C ATOM 1441 O GLU A 91 9.115 -0.353 4.235 1.00 0.00 O ATOM 1442 CB GLU A 91 11.861 0.868 5.369 1.00 0.00 C ATOM 1443 CG GLU A 91 12.812 1.825 6.066 1.00 0.00 C ATOM 1444 CD GLU A 91 13.232 2.973 5.172 1.00 0.00 C ATOM 1445 OE1 GLU A 91 14.248 2.831 4.461 1.00 0.00 O ATOM 1446 OE2 GLU A 91 12.553 4.023 5.178 1.00 0.00 O ATOM 0 H GLU A 91 9.136 2.322 6.516 1.00 0.00 H new ATOM 0 HA GLU A 91 10.564 2.478 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.778 -0.041 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.291 0.582 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.333 2.221 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.697 1.280 6.393 1.00 0.00 H new ATOM 1453 N PRO A 92 9.827 1.211 2.780 1.00 0.00 N ATOM 1454 CA PRO A 92 9.199 0.600 1.609 1.00 0.00 C ATOM 1455 C PRO A 92 9.703 -0.820 1.351 1.00 0.00 C ATOM 1456 O PRO A 92 10.905 -1.046 1.239 1.00 0.00 O ATOM 1457 CB PRO A 92 9.592 1.532 0.451 1.00 0.00 C ATOM 1458 CG PRO A 92 10.738 2.336 0.968 1.00 0.00 C ATOM 1459 CD PRO A 92 10.534 2.450 2.443 1.00 0.00 C ATOM 0 HA PRO A 92 8.121 0.499 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.878 0.962 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.760 2.173 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 92 11.687 1.850 0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.765 3.321 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.482 2.530 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.947 3.332 2.701 1.00 0.00 H new ATOM 1467 N GLU A 93 8.751 -1.738 1.179 1.00 0.00 N ATOM 1468 CA GLU A 93 8.992 -3.165 0.984 1.00 0.00 C ATOM 1469 C GLU A 93 7.683 -3.800 0.570 1.00 0.00 C ATOM 1470 O GLU A 93 6.826 -4.037 1.390 1.00 0.00 O ATOM 1471 CB GLU A 93 9.559 -3.853 2.251 1.00 0.00 C ATOM 1472 CG GLU A 93 11.043 -3.583 2.491 1.00 0.00 C ATOM 1473 CD GLU A 93 11.608 -4.281 3.705 1.00 0.00 C ATOM 1474 OE1 GLU A 93 10.837 -4.651 4.605 1.00 0.00 O ATOM 1475 OE2 GLU A 93 12.845 -4.444 3.772 1.00 0.00 O ATOM 0 H GLU A 93 7.759 -1.499 1.172 1.00 0.00 H new ATOM 0 HA GLU A 93 9.750 -3.294 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.993 -3.516 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.404 -4.929 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.605 -3.896 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.193 -2.509 2.600 1.00 0.00 H new ATOM 1482 N VAL A 94 7.542 -4.026 -0.723 1.00 0.00 N ATOM 1483 CA VAL A 94 6.306 -4.519 -1.352 1.00 0.00 C ATOM 1484 C VAL A 94 5.621 -5.658 -0.585 1.00 0.00 C ATOM 1485 O VAL A 94 4.403 -5.657 -0.430 1.00 0.00 O ATOM 1486 CB VAL A 94 6.576 -4.933 -2.820 1.00 0.00 C ATOM 1487 CG1 VAL A 94 7.375 -6.228 -2.921 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.290 -5.006 -3.616 1.00 0.00 C ATOM 0 H VAL A 94 8.297 -3.871 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 94 5.604 -3.685 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 94 7.195 -4.152 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.537 -6.474 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.337 -6.101 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.822 -7.035 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.513 -5.299 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.624 -5.742 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.805 -4.030 -3.615 1.00 0.00 H new ATOM 1498 N GLN A 95 6.396 -6.592 -0.094 1.00 0.00 N ATOM 1499 CA GLN A 95 5.836 -7.725 0.640 1.00 0.00 C ATOM 1500 C GLN A 95 5.324 -7.285 2.012 1.00 0.00 C ATOM 1501 O GLN A 95 4.346 -7.834 2.531 1.00 0.00 O ATOM 1502 CB GLN A 95 6.848 -8.887 0.769 1.00 0.00 C ATOM 1503 CG GLN A 95 8.044 -8.625 1.687 1.00 0.00 C ATOM 1504 CD GLN A 95 9.013 -7.586 1.150 1.00 0.00 C ATOM 1505 OE1 GLN A 95 9.642 -6.875 1.909 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.149 -7.503 -0.158 1.00 0.00 N ATOM 0 H GLN A 95 7.412 -6.601 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 95 4.990 -8.100 0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.319 -9.767 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.223 -9.130 -0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.678 -8.298 2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.580 -9.561 1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.606 -8.115 -0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.798 -6.827 -0.561 1.00 0.00 H new ATOM 1515 N GLU A 96 5.954 -6.260 2.572 1.00 0.00 N ATOM 1516 CA GLU A 96 5.546 -5.749 3.852 1.00 0.00 C ATOM 1517 C GLU A 96 4.376 -4.823 3.651 1.00 0.00 C ATOM 1518 O GLU A 96 3.523 -4.701 4.506 1.00 0.00 O ATOM 1519 CB GLU A 96 6.693 -5.014 4.547 1.00 0.00 C ATOM 1520 CG GLU A 96 7.866 -5.904 4.928 1.00 0.00 C ATOM 1521 CD GLU A 96 7.513 -6.926 5.989 1.00 0.00 C ATOM 1522 OE1 GLU A 96 7.410 -6.547 7.178 1.00 0.00 O ATOM 1523 OE2 GLU A 96 7.350 -8.113 5.647 1.00 0.00 O ATOM 0 H GLU A 96 6.747 -5.774 2.152 1.00 0.00 H new ATOM 0 HA GLU A 96 5.257 -6.582 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.052 -4.221 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.309 -4.534 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.226 -6.421 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.685 -5.282 5.289 1.00 0.00 H new ATOM 1530 N VAL A 97 4.349 -4.184 2.488 1.00 0.00 N ATOM 1531 CA VAL A 97 3.275 -3.283 2.122 1.00 0.00 C ATOM 1532 C VAL A 97 1.949 -4.010 2.169 1.00 0.00 C ATOM 1533 O VAL A 97 1.044 -3.621 2.894 1.00 0.00 O ATOM 1534 CB VAL A 97 3.480 -2.694 0.701 1.00 0.00 C ATOM 1535 CG1 VAL A 97 2.279 -1.852 0.276 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.751 -1.868 0.642 1.00 0.00 C ATOM 0 H VAL A 97 5.073 -4.279 1.776 1.00 0.00 H new ATOM 0 HA VAL A 97 3.278 -2.462 2.839 1.00 0.00 H new ATOM 0 HB VAL A 97 3.574 -3.527 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.450 -1.452 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.383 -2.473 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.145 -1.029 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.876 -1.464 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.686 -1.048 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.606 -2.498 0.889 1.00 0.00 H new ATOM 1546 N SER A 98 1.859 -5.083 1.411 1.00 0.00 N ATOM 1547 CA SER A 98 0.650 -5.864 1.326 1.00 0.00 C ATOM 1548 C SER A 98 0.274 -6.477 2.670 1.00 0.00 C ATOM 1549 O SER A 98 -0.899 -6.511 3.049 1.00 0.00 O ATOM 1550 CB SER A 98 0.796 -6.945 0.254 1.00 0.00 C ATOM 1551 OG SER A 98 2.019 -7.649 0.407 1.00 0.00 O ATOM 0 H SER A 98 2.625 -5.436 0.837 1.00 0.00 H new ATOM 0 HA SER A 98 -0.162 -5.194 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.040 -7.642 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.755 -6.489 -0.735 1.00 0.00 H new ATOM 0 HG SER A 98 2.090 -8.336 -0.288 1.00 0.00 H new ATOM 1557 N GLN A 99 1.272 -6.948 3.378 1.00 0.00 N ATOM 1558 CA GLN A 99 1.065 -7.559 4.684 1.00 0.00 C ATOM 1559 C GLN A 99 0.578 -6.530 5.692 1.00 0.00 C ATOM 1560 O GLN A 99 -0.379 -6.765 6.408 1.00 0.00 O ATOM 1561 CB GLN A 99 2.350 -8.220 5.173 1.00 0.00 C ATOM 1562 CG GLN A 99 2.230 -8.863 6.544 1.00 0.00 C ATOM 1563 CD GLN A 99 3.492 -9.587 6.964 1.00 0.00 C ATOM 1564 OE1 GLN A 99 3.441 -10.559 7.714 1.00 0.00 O ATOM 1565 NE2 GLN A 99 4.629 -9.125 6.484 1.00 0.00 N ATOM 0 H GLN A 99 2.246 -6.923 3.075 1.00 0.00 H new ATOM 0 HA GLN A 99 0.297 -8.326 4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.653 -8.979 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.143 -7.473 5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.994 -8.095 7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.397 -9.566 6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.629 -8.315 5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.509 -9.577 6.733 1.00 0.00 H new ATOM 1574 N LEU A 100 1.210 -5.378 5.685 1.00 0.00 N ATOM 1575 CA LEU A 100 0.884 -4.304 6.602 1.00 0.00 C ATOM 1576 C LEU A 100 -0.463 -3.757 6.252 1.00 0.00 C ATOM 1577 O LEU A 100 -1.228 -3.341 7.120 1.00 0.00 O ATOM 1578 CB LEU A 100 1.948 -3.197 6.532 1.00 0.00 C ATOM 1579 CG LEU A 100 1.702 -1.955 7.395 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.635 -2.324 8.863 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.790 -0.920 7.154 1.00 0.00 C ATOM 0 H LEU A 100 1.969 -5.157 5.040 1.00 0.00 H new ATOM 0 HA LEU A 100 0.866 -4.690 7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.907 -3.627 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.040 -2.878 5.494 1.00 0.00 H new ATOM 0 HG LEU A 100 0.742 -1.524 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.460 -1.426 9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.820 -3.030 9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.577 -2.781 9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.602 -0.043 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.760 -1.345 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.789 -0.629 6.104 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.758 -3.797 4.972 1.00 0.00 N ATOM 1594 CA PHE A 101 -2.018 -3.323 4.466 1.00 0.00 C ATOM 1595 C PHE A 101 -3.147 -4.184 4.993 1.00 0.00 C ATOM 1596 O PHE A 101 -4.174 -3.682 5.441 1.00 0.00 O ATOM 1597 CB PHE A 101 -2.011 -3.346 2.945 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.296 -2.909 2.317 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.711 -1.593 2.405 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.081 -3.812 1.625 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -4.889 -1.185 1.810 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.259 -3.412 1.033 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.664 -2.099 1.123 1.00 0.00 C ATOM 0 H PHE A 101 -0.129 -4.160 4.256 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.170 -2.298 4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.208 -2.702 2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.782 -4.357 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.108 -0.877 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.767 -4.843 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.203 -0.154 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.865 -4.128 0.498 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.586 -1.784 0.657 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.932 -5.481 4.964 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.918 -6.424 5.418 1.00 0.00 C ATOM 1615 C ARG A 102 -3.992 -6.390 6.933 1.00 0.00 C ATOM 1616 O ARG A 102 -5.073 -6.470 7.519 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.557 -7.832 4.932 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.624 -8.870 5.205 1.00 0.00 C ATOM 1619 CD ARG A 102 -4.231 -10.228 4.666 1.00 0.00 C ATOM 1620 NE ARG A 102 -5.315 -11.201 4.797 1.00 0.00 N ATOM 1621 CZ ARG A 102 -5.755 -11.971 3.805 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -5.174 -11.916 2.617 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -6.759 -12.814 4.010 1.00 0.00 N ATOM 0 H ARG A 102 -2.069 -5.906 4.625 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.892 -6.155 5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.365 -7.797 3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.630 -8.144 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.798 -8.940 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.563 -8.555 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.951 -10.135 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.352 -10.590 5.199 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.763 -11.296 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.389 -11.283 2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.511 -12.506 1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.196 -12.873 4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.094 -13.403 3.248 1.00 0.00 H new ATOM 1637 N SER A 103 -2.834 -6.238 7.556 1.00 0.00 N ATOM 1638 CA SER A 103 -2.744 -6.199 8.998 1.00 0.00 C ATOM 1639 C SER A 103 -3.569 -5.059 9.578 1.00 0.00 C ATOM 1640 O SER A 103 -4.479 -5.291 10.384 1.00 0.00 O ATOM 1641 CB SER A 103 -1.290 -6.095 9.455 1.00 0.00 C ATOM 1642 OG SER A 103 -0.546 -7.239 9.062 1.00 0.00 O ATOM 0 H SER A 103 -1.939 -6.139 7.076 1.00 0.00 H new ATOM 0 HA SER A 103 -3.156 -7.135 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.836 -5.199 9.031 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.253 -5.989 10.539 1.00 0.00 H new ATOM 0 HG SER A 103 -0.507 -7.284 8.084 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.256 -3.830 9.177 1.00 0.00 N ATOM 1649 CA VAL A 104 -3.976 -2.661 9.665 1.00 0.00 C ATOM 1650 C VAL A 104 -5.456 -2.730 9.367 1.00 0.00 C ATOM 1651 O VAL A 104 -6.273 -2.365 10.212 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.384 -1.319 9.146 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -1.950 -1.147 9.621 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -3.461 -1.222 7.624 1.00 0.00 C ATOM 0 H VAL A 104 -2.509 -3.619 8.516 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.845 -2.679 10.747 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.988 -0.511 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.554 -0.203 9.248 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.925 -1.145 10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.341 -1.970 9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.038 -0.272 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.897 -2.042 7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.502 -1.284 7.308 1.00 0.00 H new ATOM 1664 N LEU A 105 -5.811 -3.194 8.177 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.210 -3.328 7.814 1.00 0.00 C ATOM 1666 C LEU A 105 -7.940 -4.215 8.774 1.00 0.00 C ATOM 1667 O LEU A 105 -9.022 -3.879 9.209 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.393 -3.865 6.401 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.050 -2.918 5.257 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -7.602 -3.466 3.954 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -7.587 -1.517 5.527 1.00 0.00 C ATOM 0 H LEU A 105 -5.153 -3.482 7.453 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.630 -2.323 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.781 -4.761 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.432 -4.174 6.287 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.965 -2.845 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.354 -2.786 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.164 -4.444 3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.685 -3.562 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.328 -0.862 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.671 -1.557 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.146 -1.129 6.445 1.00 0.00 H new ATOM 1683 N GLN A 106 -7.347 -5.342 9.131 1.00 0.00 N ATOM 1684 CA GLN A 106 -8.011 -6.251 10.044 1.00 0.00 C ATOM 1685 C GLN A 106 -7.986 -5.724 11.459 1.00 0.00 C ATOM 1686 O GLN A 106 -8.885 -6.001 12.247 1.00 0.00 O ATOM 1687 CB GLN A 106 -7.434 -7.668 9.972 1.00 0.00 C ATOM 1688 CG GLN A 106 -8.142 -8.567 8.959 1.00 0.00 C ATOM 1689 CD GLN A 106 -7.940 -8.126 7.524 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -7.032 -8.580 6.853 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.781 -7.229 7.051 1.00 0.00 N ATOM 0 H GLN A 106 -6.427 -5.643 8.810 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.052 -6.313 9.726 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.376 -7.608 9.715 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.497 -8.127 10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.778 -9.588 9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.209 -8.582 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.531 -6.871 7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.683 -6.893 6.093 1.00 0.00 H new ATOM 1700 N GLU A 107 -6.979 -4.935 11.768 1.00 0.00 N ATOM 1701 CA GLU A 107 -6.866 -4.370 13.108 1.00 0.00 C ATOM 1702 C GLU A 107 -7.957 -3.325 13.320 1.00 0.00 C ATOM 1703 O GLU A 107 -8.735 -3.383 14.294 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.486 -3.746 13.330 1.00 0.00 C ATOM 1705 CG GLU A 107 -5.252 -3.298 14.765 1.00 0.00 C ATOM 1706 CD GLU A 107 -3.913 -2.633 14.966 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -2.885 -3.341 14.979 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -3.879 -1.402 15.135 1.00 0.00 O ATOM 0 H GLU A 107 -6.234 -4.669 11.124 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.990 -5.175 13.832 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -4.719 -4.469 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.371 -2.889 12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.042 -2.606 15.057 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.325 -4.162 15.426 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.033 -2.392 12.391 1.00 0.00 N ATOM 1716 CA VAL A 108 -9.011 -1.336 12.456 1.00 0.00 C ATOM 1717 C VAL A 108 -10.419 -1.901 12.223 1.00 0.00 C ATOM 1718 O VAL A 108 -11.409 -1.366 12.732 1.00 0.00 O ATOM 1719 CB VAL A 108 -8.693 -0.210 11.432 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -8.995 -0.635 10.002 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -9.424 1.062 11.788 1.00 0.00 C ATOM 0 H VAL A 108 -7.420 -2.349 11.577 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.971 -0.897 13.453 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.622 -0.016 11.486 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.758 0.183 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.392 -1.506 9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.052 -0.886 9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.186 1.835 11.057 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -10.498 0.878 11.784 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.116 1.393 12.780 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.487 -3.002 11.468 1.00 0.00 N ATOM 1732 CA LEU A 109 -11.747 -3.677 11.181 1.00 0.00 C ATOM 1733 C LEU A 109 -12.383 -4.167 12.461 1.00 0.00 C ATOM 1734 O LEU A 109 -13.504 -3.800 12.778 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.511 -4.872 10.257 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.758 -5.546 9.704 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -13.447 -4.639 8.702 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -12.408 -6.885 9.073 1.00 0.00 C ATOM 0 H LEU A 109 -9.672 -3.445 11.043 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.411 -2.963 10.693 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.899 -4.541 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.931 -5.617 10.801 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.447 -5.732 10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.337 -5.134 8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -13.733 -3.708 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.766 -4.422 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.313 -7.351 8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.700 -6.730 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.959 -7.535 9.824 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.639 -4.984 13.204 1.00 0.00 N ATOM 1751 CA GLU A 110 -12.123 -5.554 14.456 1.00 0.00 C ATOM 1752 C GLU A 110 -12.611 -4.472 15.400 1.00 0.00 C ATOM 1753 O GLU A 110 -13.613 -4.650 16.100 1.00 0.00 O ATOM 1754 CB GLU A 110 -11.027 -6.383 15.124 1.00 0.00 C ATOM 1755 CG GLU A 110 -10.629 -7.617 14.334 1.00 0.00 C ATOM 1756 CD GLU A 110 -11.797 -8.540 14.085 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -12.225 -9.230 15.032 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -12.297 -8.586 12.940 1.00 0.00 O ATOM 0 H GLU A 110 -10.691 -5.267 12.956 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.966 -6.205 14.223 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.147 -5.756 15.270 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.367 -6.690 16.113 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.200 -7.312 13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.851 -8.157 14.875 1.00 0.00 H new ATOM 1765 N ARG A 111 -11.916 -3.345 15.401 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.276 -2.228 16.244 1.00 0.00 C ATOM 1767 C ARG A 111 -13.642 -1.666 15.835 1.00 0.00 C ATOM 1768 O ARG A 111 -14.638 -1.834 16.545 1.00 0.00 O ATOM 1769 CB ARG A 111 -11.197 -1.136 16.143 1.00 0.00 C ATOM 1770 CG ARG A 111 -11.401 0.074 17.056 1.00 0.00 C ATOM 1771 CD ARG A 111 -11.257 -0.291 18.529 1.00 0.00 C ATOM 1772 NE ARG A 111 -12.432 -0.988 19.048 1.00 0.00 N ATOM 1773 CZ ARG A 111 -12.392 -2.156 19.704 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -11.231 -2.789 19.889 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -13.514 -2.691 20.172 1.00 0.00 N ATOM 0 H ARG A 111 -11.093 -3.185 14.820 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.343 -2.570 17.277 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -10.229 -1.583 16.371 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.152 -0.788 15.111 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.675 0.847 16.801 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.391 0.496 16.882 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.377 -0.921 18.660 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -11.090 0.616 19.110 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.344 -0.556 18.901 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -10.366 -2.384 19.530 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -11.209 -3.678 20.389 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.404 -2.213 20.032 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.486 -3.580 20.671 1.00 0.00 H new ATOM 1789 N MET A 112 -13.668 -1.005 14.686 1.00 0.00 N ATOM 1790 CA MET A 112 -14.884 -0.358 14.184 1.00 0.00 C ATOM 1791 C MET A 112 -16.066 -1.315 14.038 1.00 0.00 C ATOM 1792 O MET A 112 -17.208 -0.941 14.299 1.00 0.00 O ATOM 1793 CB MET A 112 -14.629 0.388 12.865 1.00 0.00 C ATOM 1794 CG MET A 112 -14.438 -0.511 11.650 1.00 0.00 C ATOM 1795 SD MET A 112 -14.275 0.426 10.117 1.00 0.00 S ATOM 1796 CE MET A 112 -12.699 1.229 10.373 1.00 0.00 C ATOM 0 H MET A 112 -12.857 -0.899 14.076 1.00 0.00 H new ATOM 0 HA MET A 112 -15.161 0.369 14.948 1.00 0.00 H new ATOM 0 HB2 MET A 112 -15.467 1.059 12.675 1.00 0.00 H new ATOM 0 HB3 MET A 112 -13.742 1.011 12.982 1.00 0.00 H new ATOM 0 HG2 MET A 112 -13.549 -1.126 11.793 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.286 -1.191 11.568 1.00 0.00 H new ATOM 0 HE1 MET A 112 -12.526 1.953 9.577 1.00 0.00 H new ATOM 0 HE2 MET A 112 -12.704 1.742 11.335 1.00 0.00 H new ATOM 0 HE3 MET A 112 -11.905 0.483 10.364 1.00 0.00 H new ATOM 1806 N LYS A 113 -15.789 -2.533 13.637 1.00 0.00 N ATOM 1807 CA LYS A 113 -16.836 -3.531 13.437 1.00 0.00 C ATOM 1808 C LYS A 113 -17.523 -3.874 14.748 1.00 0.00 C ATOM 1809 O LYS A 113 -18.749 -3.988 14.803 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.260 -4.796 12.795 1.00 0.00 C ATOM 1811 CG LYS A 113 -17.268 -5.923 12.606 1.00 0.00 C ATOM 1812 CD LYS A 113 -16.624 -7.144 11.961 1.00 0.00 C ATOM 1813 CE LYS A 113 -15.453 -7.664 12.787 1.00 0.00 C ATOM 1814 NZ LYS A 113 -14.826 -8.860 12.177 1.00 0.00 N ATOM 0 H LYS A 113 -14.846 -2.867 13.440 1.00 0.00 H new ATOM 0 HA LYS A 113 -17.579 -3.104 12.764 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.838 -4.536 11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.439 -5.160 13.412 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -17.691 -6.200 13.572 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -18.093 -5.574 11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -17.369 -7.932 11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -16.278 -6.887 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -14.706 -6.877 12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -15.799 -7.909 13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -13.793 -8.799 12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.170 -9.716 12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.075 -8.906 11.168 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.739 -4.013 15.813 1.00 0.00 N ATOM 1829 CA GLN A 114 -17.305 -4.378 17.105 1.00 0.00 C ATOM 1830 C GLN A 114 -18.147 -3.238 17.650 1.00 0.00 C ATOM 1831 O GLN A 114 -19.237 -3.451 18.188 1.00 0.00 O ATOM 1832 CB GLN A 114 -16.211 -4.746 18.107 1.00 0.00 C ATOM 1833 CG GLN A 114 -16.752 -5.355 19.395 1.00 0.00 C ATOM 1834 CD GLN A 114 -15.671 -5.641 20.415 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -15.069 -6.712 20.416 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -15.433 -4.695 21.302 1.00 0.00 N ATOM 0 H GLN A 114 -15.728 -3.881 15.808 1.00 0.00 H new ATOM 0 HA GLN A 114 -17.938 -5.253 16.958 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -15.524 -5.452 17.641 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.635 -3.853 18.350 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -17.485 -4.676 19.831 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -17.276 -6.281 19.160 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.955 -3.820 21.266 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -14.727 -4.839 22.024 1.00 0.00 H new ATOM 1845 N GLU A 115 -17.646 -2.026 17.491 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.336 -0.849 17.971 1.00 0.00 C ATOM 1847 C GLU A 115 -19.623 -0.598 17.192 1.00 0.00 C ATOM 1848 O GLU A 115 -20.593 -0.083 17.742 1.00 0.00 O ATOM 1849 CB GLU A 115 -17.418 0.360 17.920 1.00 0.00 C ATOM 1850 CG GLU A 115 -16.193 0.204 18.801 1.00 0.00 C ATOM 1851 CD GLU A 115 -15.329 1.432 18.822 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -15.781 2.472 19.356 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -14.194 1.371 18.317 1.00 0.00 O ATOM 0 H GLU A 115 -16.757 -1.834 17.029 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.618 -1.023 19.010 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.101 0.527 16.891 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.973 1.245 18.230 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.510 -0.029 19.818 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.604 -0.643 18.449 1.00 0.00 H new ATOM 1860 N GLU A 116 -19.637 -0.982 15.919 1.00 0.00 N ATOM 1861 CA GLU A 116 -20.837 -0.833 15.110 1.00 0.00 C ATOM 1862 C GLU A 116 -21.922 -1.726 15.683 1.00 0.00 C ATOM 1863 O GLU A 116 -23.035 -1.272 15.976 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.577 -1.209 13.652 1.00 0.00 C ATOM 1865 CG GLU A 116 -21.754 -0.906 12.737 1.00 0.00 C ATOM 1866 CD GLU A 116 -21.600 -1.504 11.361 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -22.397 -2.397 11.009 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -20.687 -1.086 10.626 1.00 0.00 O ATOM 0 H GLU A 116 -18.841 -1.393 15.432 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.149 0.211 15.133 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.699 -0.670 13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -20.344 -2.272 13.594 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -22.668 -1.287 13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.868 0.174 12.647 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.583 -3.007 15.834 1.00 0.00 N ATOM 1876 CA GLU A 117 -22.477 -3.981 16.444 1.00 0.00 C ATOM 1877 C GLU A 117 -22.988 -3.480 17.789 1.00 0.00 C ATOM 1878 O GLU A 117 -24.166 -3.594 18.086 1.00 0.00 O ATOM 1879 CB GLU A 117 -21.767 -5.327 16.629 1.00 0.00 C ATOM 1880 CG GLU A 117 -21.290 -5.963 15.333 1.00 0.00 C ATOM 1881 CD GLU A 117 -22.405 -6.153 14.332 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -23.300 -6.985 14.576 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -22.392 -5.482 13.288 1.00 0.00 O ATOM 0 H GLU A 117 -20.686 -3.393 15.538 1.00 0.00 H new ATOM 0 HA GLU A 117 -23.326 -4.118 15.775 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.910 -5.186 17.288 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -22.445 -6.017 17.131 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.513 -5.339 14.891 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.836 -6.929 15.553 1.00 0.00 H new ATOM 1890 N ALA A 118 -22.092 -2.900 18.581 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.436 -2.382 19.903 1.00 0.00 C ATOM 1892 C ALA A 118 -23.538 -1.317 19.838 1.00 0.00 C ATOM 1893 O ALA A 118 -24.459 -1.321 20.656 1.00 0.00 O ATOM 1894 CB ALA A 118 -21.199 -1.823 20.592 1.00 0.00 C ATOM 0 H ALA A 118 -21.112 -2.776 18.328 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.825 -3.216 20.487 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -21.472 -1.441 21.576 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -20.456 -2.613 20.703 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -20.782 -1.014 19.992 1.00 0.00 H new ATOM 1900 N HIS A 119 -23.468 -0.432 18.843 1.00 0.00 N ATOM 1901 CA HIS A 119 -24.457 0.646 18.715 1.00 0.00 C ATOM 1902 C HIS A 119 -25.812 0.084 18.323 1.00 0.00 C ATOM 1903 O HIS A 119 -26.846 0.479 18.866 1.00 0.00 O ATOM 1904 CB HIS A 119 -24.017 1.693 17.680 1.00 0.00 C ATOM 1905 CG HIS A 119 -22.993 2.672 18.178 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -23.323 3.906 18.700 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -21.645 2.604 18.215 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -22.219 4.550 19.034 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -21.188 3.783 18.750 1.00 0.00 N ATOM 0 H HIS A 119 -22.748 -0.437 18.121 1.00 0.00 H new ATOM 0 HA HIS A 119 -24.535 1.133 19.687 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -23.613 1.177 16.809 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -24.895 2.245 17.345 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -21.038 1.774 17.884 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -22.171 5.538 19.467 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -20.209 4.025 18.902 1.00 0.00 H new