USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot 53:sc= 0.68! USER MOD Set 1.2: A 30 THR OG1 : rot 57:sc= 1.9 USER MOD Set 2.1: A 16 SER OG : rot 151:sc= 1.08 USER MOD Set 2.2: A 18 SER OG : rot 84:sc= -0.97! USER MOD Set 3.1: A 13 LYS NZ :NH3+ 179:sc= -1.64! (180deg=1.24) USER MOD Set 3.2: A 54 ASN : amide:sc= -16.3! C(o=-18!,f=-21!) USER MOD Set 4.1: A 4 ASN : amide:sc= -1.54 K(o=-1.1,f=-2) USER MOD Set 4.2: A 40 ASN : amide:sc= 0.425 K(o=-1.1,f=-3.3) USER MOD Single : A 5 ASN : amide:sc= -0.226 K(o=-0.23,f=-0.76) USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= -0.409 (180deg=-2.53!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -115:sc= 0.859 (180deg=-0.765!) USER MOD Single : A 17 GLN : amide:sc= -4.8! C(o=-4.8!,f=-8.1!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -3.81! C(o=-3.8!,f=-7.7!) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= 0.69! (180deg=-0.831!) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.58 F(o=-4.1!,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.87! (180deg=-2.15!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0054 USER MOD Single : A 44 GLN : amide:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -132:sc= -1.54! USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -1.047 -2.307 -6.338 1.00 0.00 N ATOM 57 CA ASN A 4 -1.333 -2.952 -5.064 1.00 0.00 C ATOM 58 C ASN A 4 -1.342 -4.470 -5.210 1.00 0.00 C ATOM 59 O ASN A 4 -2.278 -5.144 -4.760 1.00 0.00 O ATOM 60 CB ASN A 4 -2.678 -2.455 -4.519 1.00 0.00 C ATOM 61 CG ASN A 4 -2.684 -0.923 -4.405 1.00 0.00 C ATOM 62 OD1 ASN A 4 -3.739 -0.295 -4.498 1.00 0.00 O ATOM 63 ND2 ASN A 4 -1.570 -0.277 -4.238 1.00 0.00 N ATOM 0 HA ASN A 4 -0.545 -2.690 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.485 -2.779 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.866 -2.898 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.574 0.742 -4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.691 -0.788 -4.160 1.00 0.00 H new ATOM 70 N ASN A 5 -0.297 -5.011 -5.833 1.00 0.00 N ATOM 71 CA ASN A 5 -0.193 -6.461 -6.083 1.00 0.00 C ATOM 72 C ASN A 5 -0.068 -7.263 -4.792 1.00 0.00 C ATOM 73 O ASN A 5 0.625 -8.278 -4.753 1.00 0.00 O ATOM 74 CB ASN A 5 1.003 -6.788 -6.991 1.00 0.00 C ATOM 75 CG ASN A 5 0.793 -6.225 -8.384 1.00 0.00 C ATOM 76 OD1 ASN A 5 -0.252 -6.455 -8.999 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.721 -5.501 -8.927 1.00 0.00 N ATOM 0 H ASN A 5 0.496 -4.471 -6.178 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.119 -6.747 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.915 -6.375 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.138 -7.868 -7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.588 -5.120 -9.864 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.584 -5.312 -8.417 1.00 0.00 H new ATOM 84 N LEU A 6 -0.827 -6.885 -3.786 1.00 0.00 N ATOM 85 CA LEU A 6 -0.845 -7.621 -2.521 1.00 0.00 C ATOM 86 C LEU A 6 -1.319 -9.045 -2.787 1.00 0.00 C ATOM 87 O LEU A 6 -0.760 -10.024 -2.275 1.00 0.00 O ATOM 88 CB LEU A 6 -1.788 -6.898 -1.524 1.00 0.00 C ATOM 89 CG LEU A 6 -1.913 -7.653 -0.178 1.00 0.00 C ATOM 90 CD1 LEU A 6 -2.902 -8.812 -0.302 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.552 -8.181 0.289 1.00 0.00 C ATOM 0 H LEU A 6 -1.443 -6.073 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 6 0.153 -7.659 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.414 -5.891 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.776 -6.794 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.283 -6.946 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.976 -9.331 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.882 -8.426 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.554 -9.507 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.671 -8.707 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.152 -8.866 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.136 -7.346 0.421 1.00 0.00 H new ATOM 103 N LYS A 7 -2.313 -9.145 -3.635 1.00 0.00 N ATOM 104 CA LYS A 7 -2.904 -10.415 -4.019 1.00 0.00 C ATOM 105 C LYS A 7 -1.869 -11.413 -4.533 1.00 0.00 C ATOM 106 O LYS A 7 -1.957 -12.606 -4.240 1.00 0.00 O ATOM 107 CB LYS A 7 -3.978 -10.157 -5.078 1.00 0.00 C ATOM 108 CG LYS A 7 -3.364 -9.428 -6.286 1.00 0.00 C ATOM 109 CD LYS A 7 -4.482 -8.882 -7.187 1.00 0.00 C ATOM 110 CE LYS A 7 -3.886 -7.915 -8.221 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.371 -8.682 -9.385 1.00 0.00 N ATOM 0 H LYS A 7 -2.744 -8.339 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.348 -10.867 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.418 -11.101 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.783 -9.558 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.728 -8.611 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.730 -10.111 -6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.989 -9.704 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.231 -8.369 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.645 -7.204 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.080 -7.336 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.547 -8.191 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.089 -9.634 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.115 -8.758 -10.107 1.00 0.00 H new ATOM 125 N LEU A 8 -0.917 -10.941 -5.331 1.00 0.00 N ATOM 126 CA LEU A 8 0.056 -11.850 -5.939 1.00 0.00 C ATOM 127 C LEU A 8 0.865 -12.569 -4.867 1.00 0.00 C ATOM 128 O LEU A 8 0.958 -13.799 -4.870 1.00 0.00 O ATOM 129 CB LEU A 8 1.014 -11.083 -6.873 1.00 0.00 C ATOM 130 CG LEU A 8 0.376 -10.818 -8.260 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.435 -12.025 -8.743 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.526 -9.582 -8.206 1.00 0.00 C ATOM 0 H LEU A 8 -0.796 -9.957 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.498 -12.585 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.289 -10.134 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.934 -11.654 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 8 1.188 -10.644 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.869 -11.805 -9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.218 -12.894 -8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.233 -12.236 -8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.966 -9.410 -9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.319 -9.742 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.065 -8.713 -7.916 1.00 0.00 H new ATOM 144 N ILE A 9 1.351 -11.822 -3.895 1.00 0.00 N ATOM 145 CA ILE A 9 2.031 -12.432 -2.768 1.00 0.00 C ATOM 146 C ILE A 9 1.006 -13.187 -1.915 1.00 0.00 C ATOM 147 O ILE A 9 1.271 -14.268 -1.407 1.00 0.00 O ATOM 148 CB ILE A 9 2.794 -11.404 -1.915 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.715 -10.546 -2.804 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.684 -12.176 -0.942 1.00 0.00 C ATOM 151 CD1 ILE A 9 2.974 -9.311 -3.298 1.00 0.00 C ATOM 0 H ILE A 9 1.290 -10.804 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 9 2.777 -13.125 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 9 2.081 -10.761 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.599 -10.247 -2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.062 -11.134 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.240 -11.473 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.065 -12.810 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.383 -12.796 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.638 -8.715 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.104 -9.617 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.649 -8.716 -2.445 1.00 0.00 H new ATOM 163 N ARG A 10 -0.156 -12.575 -1.719 1.00 0.00 N ATOM 164 CA ARG A 10 -1.198 -13.171 -0.887 1.00 0.00 C ATOM 165 C ARG A 10 -1.606 -14.545 -1.410 1.00 0.00 C ATOM 166 O ARG A 10 -1.698 -15.502 -0.636 1.00 0.00 O ATOM 167 CB ARG A 10 -2.412 -12.206 -0.766 1.00 0.00 C ATOM 168 CG ARG A 10 -3.747 -12.958 -0.626 1.00 0.00 C ATOM 169 CD ARG A 10 -4.209 -13.462 -2.009 1.00 0.00 C ATOM 170 NE ARG A 10 -5.548 -12.989 -2.352 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.607 -13.802 -2.377 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.536 -14.987 -1.852 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.729 -13.384 -2.873 1.00 0.00 N ATOM 0 H ARG A 10 -0.401 -11.671 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.797 -13.324 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.272 -11.556 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.451 -11.563 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.632 -13.799 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.503 -12.300 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.503 -13.129 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.197 -14.552 -2.019 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.678 -12.003 -2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.668 -15.301 -1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.348 -15.604 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.801 -12.436 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.540 -14.003 -2.893 1.00 0.00 H new ATOM 187 N GLU A 11 -1.796 -14.671 -2.715 1.00 0.00 N ATOM 188 CA GLU A 11 -2.151 -15.963 -3.275 1.00 0.00 C ATOM 189 C GLU A 11 -0.923 -16.859 -3.405 1.00 0.00 C ATOM 190 O GLU A 11 -1.035 -18.072 -3.527 1.00 0.00 O ATOM 191 CB GLU A 11 -2.920 -15.824 -4.606 1.00 0.00 C ATOM 192 CG GLU A 11 -1.966 -15.651 -5.794 1.00 0.00 C ATOM 193 CD GLU A 11 -2.370 -16.622 -6.886 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.015 -17.780 -6.780 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.040 -16.212 -7.802 1.00 0.00 O ATOM 0 H GLU A 11 -1.712 -13.912 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.834 -16.449 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.540 -16.707 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.592 -14.968 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.006 -14.627 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.938 -15.838 -5.484 1.00 0.00 H new ATOM 202 N LYS A 12 0.248 -16.253 -3.304 1.00 0.00 N ATOM 203 CA LYS A 12 1.507 -16.992 -3.371 1.00 0.00 C ATOM 204 C LYS A 12 1.517 -17.999 -2.235 1.00 0.00 C ATOM 205 O LYS A 12 1.750 -19.194 -2.419 1.00 0.00 O ATOM 206 CB LYS A 12 2.626 -16.006 -3.098 1.00 0.00 C ATOM 207 CG LYS A 12 3.977 -16.630 -3.328 1.00 0.00 C ATOM 208 CD LYS A 12 5.020 -15.589 -2.966 1.00 0.00 C ATOM 209 CE LYS A 12 6.376 -16.057 -3.451 1.00 0.00 C ATOM 210 NZ LYS A 12 7.408 -15.030 -3.167 1.00 0.00 N ATOM 0 H LYS A 12 0.358 -15.247 -3.175 1.00 0.00 H new ATOM 0 HA LYS A 12 1.623 -17.481 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.511 -15.135 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.558 -15.652 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.097 -17.524 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.086 -16.939 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.768 -14.631 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.039 -15.435 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.641 -16.994 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.337 -16.257 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.333 -15.365 -3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.161 -14.145 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.455 -14.859 -2.142 1.00 0.00 H new ATOM 224 N LYS A 13 1.190 -17.496 -1.075 1.00 0.00 N ATOM 225 CA LYS A 13 1.075 -18.304 0.129 1.00 0.00 C ATOM 226 C LYS A 13 -0.362 -18.763 0.291 1.00 0.00 C ATOM 227 O LYS A 13 -0.734 -19.333 1.323 1.00 0.00 O ATOM 228 CB LYS A 13 1.496 -17.494 1.361 1.00 0.00 C ATOM 229 CG LYS A 13 1.530 -15.992 1.031 1.00 0.00 C ATOM 230 CD LYS A 13 1.883 -15.205 2.289 1.00 0.00 C ATOM 231 CE LYS A 13 3.365 -15.344 2.592 1.00 0.00 C ATOM 232 NZ LYS A 13 3.558 -15.306 4.058 1.00 0.00 N ATOM 0 H LYS A 13 0.992 -16.506 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 13 1.732 -19.169 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.800 -17.677 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.479 -17.820 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.264 -15.797 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.562 -15.671 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.628 -14.154 2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.296 -15.569 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.747 -16.280 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.924 -14.538 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.568 -15.417 4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.221 -14.395 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.020 -16.079 4.499 1.00 0.00 H new ATOM 246 N LYS A 14 -1.169 -18.452 -0.710 1.00 0.00 N ATOM 247 CA LYS A 14 -2.584 -18.763 -0.711 1.00 0.00 C ATOM 248 C LYS A 14 -3.286 -18.226 0.520 1.00 0.00 C ATOM 249 O LYS A 14 -4.031 -18.944 1.203 1.00 0.00 O ATOM 250 CB LYS A 14 -2.832 -20.256 -0.921 1.00 0.00 C ATOM 251 CG LYS A 14 -2.312 -20.653 -2.296 1.00 0.00 C ATOM 252 CD LYS A 14 -3.131 -19.948 -3.386 1.00 0.00 C ATOM 253 CE LYS A 14 -2.581 -20.335 -4.748 1.00 0.00 C ATOM 254 NZ LYS A 14 -3.343 -19.627 -5.810 1.00 0.00 N ATOM 0 H LYS A 14 -0.854 -17.971 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.027 -18.248 -1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.329 -20.834 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.897 -20.476 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.260 -20.384 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.377 -21.734 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.181 -20.231 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.082 -18.867 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.524 -20.078 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.656 -21.413 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.861 -20.320 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.018 -18.968 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.684 -19.097 -6.415 1.00 0.00 H new ATOM 268 N ILE A 15 -3.104 -16.946 0.748 1.00 0.00 N ATOM 269 CA ILE A 15 -3.769 -16.250 1.824 1.00 0.00 C ATOM 270 C ILE A 15 -5.092 -15.702 1.330 1.00 0.00 C ATOM 271 O ILE A 15 -5.178 -15.155 0.230 1.00 0.00 O ATOM 272 CB ILE A 15 -2.897 -15.100 2.364 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.558 -15.619 2.896 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.624 -14.347 3.476 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.742 -16.954 3.616 1.00 0.00 C ATOM 0 H ILE A 15 -2.487 -16.356 0.189 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.942 -16.956 2.637 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.705 -14.421 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.856 -15.739 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.125 -14.889 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.991 -13.539 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.553 -13.931 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.848 -15.032 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.778 -17.304 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.427 -16.824 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.153 -17.688 2.923 1.00 0.00 H new ATOM 287 N SER A 16 -6.112 -15.832 2.132 1.00 0.00 N ATOM 288 CA SER A 16 -7.389 -15.250 1.777 1.00 0.00 C ATOM 289 C SER A 16 -7.342 -13.770 2.061 1.00 0.00 C ATOM 290 O SER A 16 -6.800 -13.344 3.088 1.00 0.00 O ATOM 291 CB SER A 16 -8.553 -15.897 2.540 1.00 0.00 C ATOM 292 OG SER A 16 -9.792 -15.267 2.157 1.00 0.00 O ATOM 0 H SER A 16 -6.093 -16.327 3.024 1.00 0.00 H new ATOM 0 HA SER A 16 -7.566 -15.430 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.594 -16.965 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.398 -15.795 3.614 1.00 0.00 H new ATOM 0 HG SER A 16 -10.526 -15.911 2.242 1.00 0.00 H new ATOM 298 N GLN A 17 -7.983 -12.985 1.231 1.00 0.00 N ATOM 299 CA GLN A 17 -8.069 -11.574 1.511 1.00 0.00 C ATOM 300 C GLN A 17 -8.847 -11.423 2.806 1.00 0.00 C ATOM 301 O GLN A 17 -8.593 -10.527 3.598 1.00 0.00 O ATOM 302 CB GLN A 17 -8.798 -10.825 0.376 1.00 0.00 C ATOM 303 CG GLN A 17 -8.196 -11.190 -0.997 1.00 0.00 C ATOM 304 CD GLN A 17 -6.802 -10.578 -1.202 1.00 0.00 C ATOM 305 OE1 GLN A 17 -6.219 -10.717 -2.277 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.230 -9.920 -0.245 1.00 0.00 N ATOM 0 H GLN A 17 -8.444 -13.290 0.374 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.069 -11.148 1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.859 -11.076 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.723 -9.750 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.131 -12.274 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.862 -10.844 -1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.707 -9.801 0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.302 -9.521 -0.384 1.00 0.00 H new ATOM 315 N SER A 18 -9.789 -12.340 3.003 1.00 0.00 N ATOM 316 CA SER A 18 -10.656 -12.361 4.172 1.00 0.00 C ATOM 317 C SER A 18 -9.861 -12.572 5.456 1.00 0.00 C ATOM 318 O SER A 18 -9.983 -11.800 6.407 1.00 0.00 O ATOM 319 CB SER A 18 -11.647 -13.508 4.008 1.00 0.00 C ATOM 320 OG SER A 18 -11.805 -13.780 2.610 1.00 0.00 O ATOM 0 H SER A 18 -9.973 -13.098 2.346 1.00 0.00 H new ATOM 0 HA SER A 18 -11.167 -11.401 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.287 -14.396 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.607 -13.245 4.453 1.00 0.00 H new ATOM 0 HG SER A 18 -11.083 -14.369 2.308 1.00 0.00 H new ATOM 326 N GLU A 19 -9.032 -13.607 5.476 1.00 0.00 N ATOM 327 CA GLU A 19 -8.247 -13.888 6.658 1.00 0.00 C ATOM 328 C GLU A 19 -7.239 -12.793 6.875 1.00 0.00 C ATOM 329 O GLU A 19 -7.085 -12.285 7.982 1.00 0.00 O ATOM 330 CB GLU A 19 -7.576 -15.264 6.572 1.00 0.00 C ATOM 331 CG GLU A 19 -6.468 -15.270 5.510 1.00 0.00 C ATOM 332 CD GLU A 19 -5.888 -16.655 5.398 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.508 -17.192 6.406 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.848 -17.173 4.308 1.00 0.00 O ATOM 0 H GLU A 19 -8.891 -14.253 4.699 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.915 -13.917 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.156 -15.529 7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.321 -16.022 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.870 -14.954 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.688 -14.558 5.779 1.00 0.00 H new ATOM 341 N LEU A 20 -6.661 -12.332 5.782 1.00 0.00 N ATOM 342 CA LEU A 20 -5.739 -11.223 5.833 1.00 0.00 C ATOM 343 C LEU A 20 -6.461 -10.015 6.403 1.00 0.00 C ATOM 344 O LEU A 20 -6.013 -9.419 7.377 1.00 0.00 O ATOM 345 CB LEU A 20 -5.253 -10.924 4.407 1.00 0.00 C ATOM 346 CG LEU A 20 -4.403 -9.648 4.371 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.959 -9.995 3.991 1.00 0.00 C ATOM 348 CD2 LEU A 20 -4.995 -8.690 3.329 1.00 0.00 C ATOM 0 H LEU A 20 -6.817 -12.712 4.848 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.883 -11.461 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.668 -11.765 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.110 -10.813 3.743 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.405 -9.176 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.360 -9.084 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.544 -10.683 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.944 -10.465 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.399 -7.778 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.986 -9.168 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.021 -8.443 3.603 1.00 0.00 H new ATOM 360 N ALA A 21 -7.653 -9.762 5.900 1.00 0.00 N ATOM 361 CA ALA A 21 -8.476 -8.690 6.426 1.00 0.00 C ATOM 362 C ALA A 21 -8.748 -8.918 7.900 1.00 0.00 C ATOM 363 O ALA A 21 -8.702 -7.976 8.697 1.00 0.00 O ATOM 364 CB ALA A 21 -9.802 -8.571 5.657 1.00 0.00 C ATOM 0 H ALA A 21 -8.073 -10.282 5.130 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.930 -7.755 6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.394 -7.758 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.596 -8.365 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.357 -9.505 5.741 1.00 0.00 H new ATOM 370 N ALA A 22 -8.954 -10.175 8.278 1.00 0.00 N ATOM 371 CA ALA A 22 -9.153 -10.505 9.675 1.00 0.00 C ATOM 372 C ALA A 22 -7.896 -10.194 10.453 1.00 0.00 C ATOM 373 O ALA A 22 -7.958 -9.623 11.552 1.00 0.00 O ATOM 374 CB ALA A 22 -9.521 -11.985 9.841 1.00 0.00 C ATOM 0 H ALA A 22 -8.987 -10.971 7.641 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.977 -9.905 10.060 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.665 -12.208 10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.442 -12.194 9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.717 -12.606 9.446 1.00 0.00 H new ATOM 380 N LEU A 23 -6.749 -10.536 9.868 1.00 0.00 N ATOM 381 CA LEU A 23 -5.469 -10.254 10.500 1.00 0.00 C ATOM 382 C LEU A 23 -5.292 -8.750 10.611 1.00 0.00 C ATOM 383 O LEU A 23 -4.840 -8.236 11.636 1.00 0.00 O ATOM 384 CB LEU A 23 -4.301 -10.821 9.671 1.00 0.00 C ATOM 385 CG LEU A 23 -4.400 -12.351 9.569 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.133 -12.926 8.930 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.644 -12.975 10.939 1.00 0.00 C ATOM 0 H LEU A 23 -6.683 -11.005 8.965 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.464 -10.723 11.484 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.311 -10.384 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.353 -10.543 10.131 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.251 -12.596 8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.218 -14.011 8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.009 -12.511 7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.268 -12.666 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.710 -14.058 10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.820 -12.722 11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.577 -12.591 11.353 1.00 0.00 H new ATOM 399 N LEU A 24 -5.652 -8.052 9.542 1.00 0.00 N ATOM 400 CA LEU A 24 -5.525 -6.598 9.500 1.00 0.00 C ATOM 401 C LEU A 24 -6.580 -5.970 10.374 1.00 0.00 C ATOM 402 O LEU A 24 -6.447 -4.818 10.811 1.00 0.00 O ATOM 403 CB LEU A 24 -5.743 -6.097 8.073 1.00 0.00 C ATOM 404 CG LEU A 24 -4.715 -6.706 7.126 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.000 -6.249 5.700 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.314 -6.282 7.528 1.00 0.00 C ATOM 0 H LEU A 24 -6.034 -8.467 8.692 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.528 -6.329 9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.749 -6.355 7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.669 -5.010 8.048 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.784 -7.792 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.264 -6.685 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.999 -6.573 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.941 -5.162 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.590 -6.724 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.237 -5.196 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.108 -6.622 8.543 1.00 0.00 H new ATOM 418 N GLU A 25 -7.666 -6.694 10.546 1.00 0.00 N ATOM 419 CA GLU A 25 -8.821 -6.209 11.262 1.00 0.00 C ATOM 420 C GLU A 25 -9.473 -5.071 10.477 1.00 0.00 C ATOM 421 O GLU A 25 -9.971 -4.101 11.050 1.00 0.00 O ATOM 422 CB GLU A 25 -8.434 -5.773 12.680 1.00 0.00 C ATOM 423 CG GLU A 25 -7.791 -6.971 13.404 1.00 0.00 C ATOM 424 CD GLU A 25 -7.444 -6.631 14.837 1.00 0.00 C ATOM 425 OE1 GLU A 25 -7.906 -5.627 15.320 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.735 -7.400 15.439 1.00 0.00 O ATOM 0 H GLU A 25 -7.770 -7.644 10.189 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.549 -7.014 11.361 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.737 -4.936 12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.314 -5.430 13.224 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.476 -7.819 13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.890 -7.277 12.873 1.00 0.00 H new ATOM 433 N VAL A 26 -9.497 -5.231 9.160 1.00 0.00 N ATOM 434 CA VAL A 26 -10.141 -4.280 8.262 1.00 0.00 C ATOM 435 C VAL A 26 -10.999 -5.034 7.261 1.00 0.00 C ATOM 436 O VAL A 26 -10.840 -6.246 7.095 1.00 0.00 O ATOM 437 CB VAL A 26 -9.098 -3.413 7.530 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.286 -2.613 8.550 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.155 -4.298 6.699 1.00 0.00 C ATOM 0 H VAL A 26 -9.070 -6.025 8.683 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.771 -3.613 8.851 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.619 -2.728 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.549 -2.001 8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.954 -1.969 9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.775 -3.298 9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.424 -3.671 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.638 -4.996 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.734 -4.855 5.962 1.00 0.00 H new ATOM 449 N SER A 27 -11.927 -4.342 6.631 1.00 0.00 N ATOM 450 CA SER A 27 -12.839 -4.986 5.710 1.00 0.00 C ATOM 451 C SER A 27 -12.119 -5.550 4.476 1.00 0.00 C ATOM 452 O SER A 27 -11.200 -4.923 3.920 1.00 0.00 O ATOM 453 CB SER A 27 -13.957 -4.017 5.319 1.00 0.00 C ATOM 454 OG SER A 27 -13.407 -2.723 5.058 1.00 0.00 O ATOM 0 H SER A 27 -12.069 -3.338 6.740 1.00 0.00 H new ATOM 0 HA SER A 27 -13.282 -5.842 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.478 -4.386 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.693 -3.954 6.120 1.00 0.00 H new ATOM 0 HG SER A 27 -12.685 -2.801 4.400 1.00 0.00 H new ATOM 460 N ARG A 28 -12.562 -6.719 4.039 1.00 0.00 N ATOM 461 CA ARG A 28 -12.013 -7.383 2.865 1.00 0.00 C ATOM 462 C ARG A 28 -12.275 -6.578 1.596 1.00 0.00 C ATOM 463 O ARG A 28 -11.402 -6.468 0.734 1.00 0.00 O ATOM 464 CB ARG A 28 -12.557 -8.817 2.753 1.00 0.00 C ATOM 465 CG ARG A 28 -11.933 -9.545 1.556 1.00 0.00 C ATOM 466 CD ARG A 28 -12.420 -11.006 1.531 1.00 0.00 C ATOM 467 NE ARG A 28 -13.862 -11.068 1.315 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.556 -12.209 1.451 1.00 0.00 C ATOM 469 NH1 ARG A 28 -13.961 -13.297 1.856 1.00 0.00 N ATOM 470 NH2 ARG A 28 -15.834 -12.223 1.190 1.00 0.00 N ATOM 0 H ARG A 28 -13.316 -7.237 4.490 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.931 -7.444 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.341 -9.365 3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.641 -8.792 2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.208 -9.043 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.846 -9.514 1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.906 -11.552 0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.167 -11.494 2.472 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.359 -10.217 1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.964 -13.283 2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.493 -14.161 1.958 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.301 -11.370 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.366 -13.087 1.292 1.00 0.00 H new ATOM 484 N GLN A 29 -13.482 -6.023 1.474 1.00 0.00 N ATOM 485 CA GLN A 29 -13.838 -5.256 0.288 1.00 0.00 C ATOM 486 C GLN A 29 -12.815 -4.163 0.041 1.00 0.00 C ATOM 487 O GLN A 29 -12.366 -3.962 -1.082 1.00 0.00 O ATOM 488 CB GLN A 29 -15.227 -4.642 0.460 1.00 0.00 C ATOM 489 CG GLN A 29 -15.252 -3.774 1.722 1.00 0.00 C ATOM 490 CD GLN A 29 -16.654 -3.276 1.970 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.546 -4.061 2.279 1.00 0.00 O ATOM 492 NE2 GLN A 29 -16.918 -2.031 1.838 1.00 0.00 N ATOM 0 H GLN A 29 -14.219 -6.091 2.175 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.849 -5.926 -0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.480 -4.040 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.977 -5.429 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.904 -4.351 2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.571 -2.930 1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.178 -1.377 1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.868 -1.692 1.989 1.00 0.00 H new ATOM 501 N THR A 30 -12.401 -3.513 1.105 1.00 0.00 N ATOM 502 CA THR A 30 -11.388 -2.491 1.009 1.00 0.00 C ATOM 503 C THR A 30 -10.089 -3.101 0.489 1.00 0.00 C ATOM 504 O THR A 30 -9.501 -2.610 -0.474 1.00 0.00 O ATOM 505 CB THR A 30 -11.182 -1.863 2.397 1.00 0.00 C ATOM 506 OG1 THR A 30 -11.762 -2.723 3.383 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.864 -0.490 2.466 1.00 0.00 C ATOM 0 H THR A 30 -12.752 -3.676 2.049 1.00 0.00 H new ATOM 0 HA THR A 30 -11.702 -1.714 0.311 1.00 0.00 H new ATOM 0 HB THR A 30 -10.115 -1.739 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.363 -3.615 3.314 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.710 -0.057 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.435 0.168 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.932 -0.605 2.282 1.00 0.00 H new ATOM 515 N ILE A 31 -9.710 -4.236 1.058 1.00 0.00 N ATOM 516 CA ILE A 31 -8.518 -4.936 0.620 1.00 0.00 C ATOM 517 C ILE A 31 -8.653 -5.402 -0.826 1.00 0.00 C ATOM 518 O ILE A 31 -7.733 -5.225 -1.627 1.00 0.00 O ATOM 519 CB ILE A 31 -8.237 -6.130 1.551 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.854 -5.620 2.952 1.00 0.00 C ATOM 521 CG2 ILE A 31 -7.102 -6.992 0.989 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.575 -4.780 2.872 1.00 0.00 C ATOM 0 H ILE A 31 -10.211 -4.689 1.822 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.677 -4.245 0.668 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.139 -6.738 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.666 -5.022 3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.704 -6.463 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.916 -7.831 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.384 -7.368 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.197 -6.390 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.311 -4.423 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.763 -5.391 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.740 -3.928 2.213 1.00 0.00 H new ATOM 534 N ASN A 32 -9.803 -5.964 -1.171 1.00 0.00 N ATOM 535 CA ASN A 32 -10.005 -6.441 -2.535 1.00 0.00 C ATOM 536 C ASN A 32 -10.325 -5.299 -3.485 1.00 0.00 C ATOM 537 O ASN A 32 -10.274 -5.461 -4.708 1.00 0.00 O ATOM 538 CB ASN A 32 -11.054 -7.571 -2.609 1.00 0.00 C ATOM 539 CG ASN A 32 -12.487 -7.041 -2.656 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.773 -6.031 -3.304 1.00 0.00 O ATOM 541 ND2 ASN A 32 -13.414 -7.677 -2.010 1.00 0.00 N ATOM 0 H ASN A 32 -10.595 -6.100 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.061 -6.876 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.866 -8.179 -3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.940 -8.224 -1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.377 -7.342 -2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.180 -8.512 -1.473 1.00 0.00 H new ATOM 548 N GLY A 33 -10.596 -4.136 -2.925 1.00 0.00 N ATOM 549 CA GLY A 33 -10.800 -2.934 -3.718 1.00 0.00 C ATOM 550 C GLY A 33 -9.457 -2.319 -4.073 1.00 0.00 C ATOM 551 O GLY A 33 -9.224 -1.897 -5.211 1.00 0.00 O ATOM 0 H GLY A 33 -10.681 -3.995 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.351 -3.176 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.403 -2.217 -3.160 1.00 0.00 H new ATOM 555 N ILE A 34 -8.572 -2.279 -3.081 1.00 0.00 N ATOM 556 CA ILE A 34 -7.249 -1.702 -3.240 1.00 0.00 C ATOM 557 C ILE A 34 -6.432 -2.472 -4.279 1.00 0.00 C ATOM 558 O ILE A 34 -5.760 -1.867 -5.122 1.00 0.00 O ATOM 559 CB ILE A 34 -6.518 -1.693 -1.874 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.203 -0.704 -0.923 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.052 -1.285 -2.042 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.639 -0.871 0.491 1.00 0.00 C ATOM 0 H ILE A 34 -8.755 -2.646 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.358 -0.678 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.561 -2.701 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.045 0.317 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.279 -0.876 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.560 -1.286 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.551 -1.992 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.000 -0.286 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.128 -0.166 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.820 -1.889 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.566 -0.677 0.480 1.00 0.00 H new ATOM 574 N GLU A 35 -6.478 -3.799 -4.215 1.00 0.00 N ATOM 575 CA GLU A 35 -5.686 -4.605 -5.133 1.00 0.00 C ATOM 576 C GLU A 35 -5.968 -4.221 -6.579 1.00 0.00 C ATOM 577 O GLU A 35 -5.047 -3.883 -7.321 1.00 0.00 O ATOM 578 CB GLU A 35 -5.920 -6.106 -4.896 1.00 0.00 C ATOM 579 CG GLU A 35 -7.407 -6.454 -5.066 1.00 0.00 C ATOM 580 CD GLU A 35 -7.646 -7.944 -4.837 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.698 -8.670 -4.740 1.00 0.00 O ATOM 582 OE2 GLU A 35 -8.788 -8.336 -4.776 1.00 0.00 O ATOM 0 H GLU A 35 -7.043 -4.329 -3.551 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.633 -4.401 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.322 -6.688 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.590 -6.377 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.003 -5.873 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.737 -6.178 -6.067 1.00 0.00 H new ATOM 589 N LYS A 36 -7.243 -4.154 -6.944 1.00 0.00 N ATOM 590 CA LYS A 36 -7.607 -3.687 -8.276 1.00 0.00 C ATOM 591 C LYS A 36 -7.216 -2.243 -8.461 1.00 0.00 C ATOM 592 O LYS A 36 -6.628 -1.877 -9.477 1.00 0.00 O ATOM 593 CB LYS A 36 -9.100 -3.848 -8.509 1.00 0.00 C ATOM 594 CG LYS A 36 -9.381 -5.318 -8.806 1.00 0.00 C ATOM 595 CD LYS A 36 -10.444 -5.842 -7.861 1.00 0.00 C ATOM 596 CE LYS A 36 -9.995 -7.196 -7.335 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.592 -7.427 -6.007 1.00 0.00 N ATOM 0 H LYS A 36 -8.030 -4.412 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.067 -4.293 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.659 -3.524 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.424 -3.223 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.712 -5.433 -9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.466 -5.901 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.594 -5.146 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.399 -5.934 -8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.297 -7.985 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.908 -7.230 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.991 -8.080 -5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.668 -6.523 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.539 -7.842 -6.120 1.00 0.00 H new ATOM 611 N ASN A 37 -7.527 -1.434 -7.452 1.00 0.00 N ATOM 612 CA ASN A 37 -7.208 -0.004 -7.423 1.00 0.00 C ATOM 613 C ASN A 37 -8.153 0.729 -6.491 1.00 0.00 C ATOM 614 O ASN A 37 -9.383 0.691 -6.657 1.00 0.00 O ATOM 615 CB ASN A 37 -7.243 0.652 -8.825 1.00 0.00 C ATOM 616 CG ASN A 37 -8.596 0.456 -9.512 1.00 0.00 C ATOM 617 OD1 ASN A 37 -9.539 -0.209 -8.926 1.00 0.00 O flip ATOM 618 ND2 ASN A 37 -8.797 0.939 -10.629 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.016 -1.756 -6.617 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.185 0.077 -7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.034 1.718 -8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.455 0.225 -9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.059 1.465 -11.098 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.701 0.813 -11.084 1.00 0.00 H new ATOM 625 N LYS A 38 -7.595 1.377 -5.504 1.00 0.00 N ATOM 626 CA LYS A 38 -8.378 2.137 -4.552 1.00 0.00 C ATOM 627 C LYS A 38 -7.428 2.845 -3.604 1.00 0.00 C ATOM 628 O LYS A 38 -6.217 2.610 -3.661 1.00 0.00 O ATOM 629 CB LYS A 38 -9.353 1.209 -3.790 1.00 0.00 C ATOM 630 CG LYS A 38 -10.536 1.985 -3.161 1.00 0.00 C ATOM 631 CD LYS A 38 -11.215 2.948 -4.172 1.00 0.00 C ATOM 632 CE LYS A 38 -12.261 2.207 -5.018 1.00 0.00 C ATOM 633 NZ LYS A 38 -11.659 0.990 -5.643 1.00 0.00 N ATOM 0 H LYS A 38 -6.590 1.397 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.983 2.880 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.740 0.453 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.810 0.681 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.274 1.276 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.178 2.555 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.691 3.769 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.460 3.389 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.107 1.922 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.646 2.869 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.274 0.654 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.722 1.225 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.562 0.243 -4.926 1.00 0.00 H new ATOM 647 N TYR A 39 -7.952 3.725 -2.764 1.00 0.00 N ATOM 648 CA TYR A 39 -7.094 4.451 -1.836 1.00 0.00 C ATOM 649 C TYR A 39 -6.102 3.485 -1.201 1.00 0.00 C ATOM 650 O TYR A 39 -6.493 2.486 -0.592 1.00 0.00 O ATOM 651 CB TYR A 39 -7.932 5.150 -0.743 1.00 0.00 C ATOM 652 CG TYR A 39 -9.221 4.385 -0.497 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.200 3.178 0.210 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.438 4.887 -0.976 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.382 2.475 0.437 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.624 4.180 -0.745 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.593 2.973 -0.038 1.00 0.00 C ATOM 658 OH TYR A 39 -12.756 2.275 0.189 1.00 0.00 O ATOM 0 H TYR A 39 -8.945 3.952 -2.704 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.552 5.219 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.357 5.213 0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.160 6.172 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.264 2.789 0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -10.461 5.818 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.359 1.543 0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.563 4.566 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.511 2.759 -0.207 1.00 0.00 H new ATOM 668 N ASN A 40 -4.822 3.757 -1.386 1.00 0.00 N ATOM 669 CA ASN A 40 -3.785 2.870 -0.882 1.00 0.00 C ATOM 670 C ASN A 40 -3.928 2.706 0.616 1.00 0.00 C ATOM 671 O ASN A 40 -4.484 3.579 1.288 1.00 0.00 O ATOM 672 CB ASN A 40 -2.389 3.394 -1.233 1.00 0.00 C ATOM 673 CG ASN A 40 -2.093 3.136 -2.706 1.00 0.00 C ATOM 674 OD1 ASN A 40 -1.776 2.008 -3.091 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.186 4.109 -3.561 1.00 0.00 N ATOM 0 H ASN A 40 -4.476 4.580 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.905 1.897 -1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.328 4.462 -1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.640 2.904 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.997 3.940 -4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.448 5.043 -3.245 1.00 0.00 H new ATOM 682 N PRO A 41 -3.485 1.606 1.155 1.00 0.00 N ATOM 683 CA PRO A 41 -3.619 1.332 2.607 1.00 0.00 C ATOM 684 C PRO A 41 -2.756 2.277 3.423 1.00 0.00 C ATOM 685 O PRO A 41 -1.689 2.704 2.966 1.00 0.00 O ATOM 686 CB PRO A 41 -3.143 -0.121 2.745 1.00 0.00 C ATOM 687 CG PRO A 41 -2.210 -0.316 1.597 1.00 0.00 C ATOM 688 CD PRO A 41 -2.799 0.506 0.448 1.00 0.00 C ATOM 0 HA PRO A 41 -4.635 1.478 2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.640 -0.286 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.979 -0.819 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.204 0.022 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.134 -1.369 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.024 0.877 -0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.491 -0.081 -0.157 1.00 0.00 H new ATOM 696 N SER A 42 -3.186 2.567 4.635 1.00 0.00 N ATOM 697 CA SER A 42 -2.414 3.416 5.513 1.00 0.00 C ATOM 698 C SER A 42 -1.073 2.750 5.776 1.00 0.00 C ATOM 699 O SER A 42 -0.957 1.527 5.673 1.00 0.00 O ATOM 700 CB SER A 42 -3.175 3.648 6.817 1.00 0.00 C ATOM 701 OG SER A 42 -4.536 3.991 6.512 1.00 0.00 O ATOM 0 H SER A 42 -4.063 2.228 5.031 1.00 0.00 H new ATOM 0 HA SER A 42 -2.247 4.387 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.143 2.751 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.705 4.448 7.390 1.00 0.00 H new ATOM 0 HG SER A 42 -5.030 4.140 7.345 1.00 0.00 H new ATOM 707 N LEU A 43 -0.050 3.537 6.019 1.00 0.00 N ATOM 708 CA LEU A 43 1.290 2.990 6.131 1.00 0.00 C ATOM 709 C LEU A 43 1.368 1.984 7.266 1.00 0.00 C ATOM 710 O LEU A 43 1.841 0.868 7.071 1.00 0.00 O ATOM 711 CB LEU A 43 2.319 4.118 6.320 1.00 0.00 C ATOM 712 CG LEU A 43 3.740 3.537 6.457 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.085 2.695 5.226 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.748 4.685 6.574 1.00 0.00 C ATOM 0 H LEU A 43 -0.114 4.547 6.142 1.00 0.00 H new ATOM 0 HA LEU A 43 1.527 2.467 5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.279 4.800 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.071 4.699 7.208 1.00 0.00 H new ATOM 0 HG LEU A 43 3.782 2.909 7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.091 2.289 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.371 1.876 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.039 3.319 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.754 4.277 6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.694 5.309 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.514 5.287 7.452 1.00 0.00 H new ATOM 726 N GLN A 44 0.785 2.318 8.407 1.00 0.00 N ATOM 727 CA GLN A 44 0.733 1.374 9.509 1.00 0.00 C ATOM 728 C GLN A 44 -0.018 0.136 9.057 1.00 0.00 C ATOM 729 O GLN A 44 0.428 -0.994 9.266 1.00 0.00 O ATOM 730 CB GLN A 44 -0.012 2.001 10.688 1.00 0.00 C ATOM 731 CG GLN A 44 -0.035 1.038 11.875 1.00 0.00 C ATOM 732 CD GLN A 44 -1.095 1.483 12.856 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.790 1.851 13.994 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.332 1.481 12.477 1.00 0.00 N ATOM 0 H GLN A 44 0.348 3.221 8.592 1.00 0.00 H new ATOM 0 HA GLN A 44 1.746 1.113 9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.471 2.934 10.978 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.031 2.249 10.392 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.242 0.024 11.532 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.941 1.017 12.360 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.576 1.176 11.535 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.063 1.785 13.120 1.00 0.00 H new ATOM 743 N LEU A 45 -1.140 0.359 8.396 1.00 0.00 N ATOM 744 CA LEU A 45 -1.944 -0.733 7.891 1.00 0.00 C ATOM 745 C LEU A 45 -1.127 -1.521 6.874 1.00 0.00 C ATOM 746 O LEU A 45 -1.025 -2.745 6.959 1.00 0.00 O ATOM 747 CB LEU A 45 -3.233 -0.173 7.243 1.00 0.00 C ATOM 748 CG LEU A 45 -4.363 -1.223 7.231 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.032 -2.355 6.264 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.582 -1.793 8.643 1.00 0.00 C ATOM 0 H LEU A 45 -1.513 1.288 8.198 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.230 -1.397 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.562 0.711 7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.020 0.145 6.222 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.279 -0.733 6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.841 -3.086 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.914 -1.952 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.105 -2.838 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.383 -2.532 8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.663 -2.265 8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.855 -0.986 9.323 1.00 0.00 H new ATOM 762 N ALA A 46 -0.448 -0.800 5.990 1.00 0.00 N ATOM 763 CA ALA A 46 0.417 -1.424 5.002 1.00 0.00 C ATOM 764 C ALA A 46 1.514 -2.215 5.686 1.00 0.00 C ATOM 765 O ALA A 46 1.786 -3.360 5.313 1.00 0.00 O ATOM 766 CB ALA A 46 1.033 -0.369 4.073 1.00 0.00 C ATOM 0 H ALA A 46 -0.481 0.218 5.939 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.189 -2.103 4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.676 -0.859 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.238 0.168 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.622 0.334 4.661 1.00 0.00 H new ATOM 772 N LEU A 47 2.102 -1.634 6.723 1.00 0.00 N ATOM 773 CA LEU A 47 3.142 -2.323 7.468 1.00 0.00 C ATOM 774 C LEU A 47 2.561 -3.577 8.079 1.00 0.00 C ATOM 775 O LEU A 47 3.139 -4.660 7.963 1.00 0.00 O ATOM 776 CB LEU A 47 3.727 -1.419 8.566 1.00 0.00 C ATOM 777 CG LEU A 47 4.528 -0.265 7.933 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.939 0.732 9.016 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.786 -0.811 7.245 1.00 0.00 C ATOM 0 H LEU A 47 1.879 -0.699 7.063 1.00 0.00 H new ATOM 0 HA LEU A 47 3.952 -2.584 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.923 -1.018 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.373 -2.003 9.222 1.00 0.00 H new ATOM 0 HG LEU A 47 3.901 0.234 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.505 1.547 8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.048 1.133 9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.558 0.228 9.759 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.345 0.013 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.411 -1.319 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.497 -1.516 6.465 1.00 0.00 H new ATOM 791 N LYS A 48 1.347 -3.463 8.608 1.00 0.00 N ATOM 792 CA LYS A 48 0.659 -4.635 9.109 1.00 0.00 C ATOM 793 C LYS A 48 0.419 -5.614 7.983 1.00 0.00 C ATOM 794 O LYS A 48 0.636 -6.820 8.143 1.00 0.00 O ATOM 795 CB LYS A 48 -0.675 -4.271 9.778 1.00 0.00 C ATOM 796 CG LYS A 48 -0.401 -3.519 11.087 1.00 0.00 C ATOM 797 CD LYS A 48 -1.720 -3.188 11.794 1.00 0.00 C ATOM 798 CE LYS A 48 -1.414 -2.481 13.121 1.00 0.00 C ATOM 799 NZ LYS A 48 -2.672 -2.248 13.873 1.00 0.00 N ATOM 0 H LYS A 48 0.832 -2.587 8.698 1.00 0.00 H new ATOM 0 HA LYS A 48 1.296 -5.094 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.273 -3.652 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.252 -5.174 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.227 -4.126 11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.149 -2.601 10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.336 -2.549 11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.288 -4.100 11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.731 -3.087 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.913 -1.532 12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.456 -1.769 14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.310 -1.652 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.133 -3.159 14.069 1.00 0.00 H new ATOM 813 N ILE A 49 0.017 -5.105 6.826 1.00 0.00 N ATOM 814 CA ILE A 49 -0.211 -5.977 5.692 1.00 0.00 C ATOM 815 C ILE A 49 1.092 -6.640 5.314 1.00 0.00 C ATOM 816 O ILE A 49 1.160 -7.856 5.175 1.00 0.00 O ATOM 817 CB ILE A 49 -0.772 -5.197 4.485 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.158 -4.668 4.820 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.886 -6.128 3.271 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.653 -3.768 3.684 1.00 0.00 C ATOM 0 H ILE A 49 -0.154 -4.114 6.654 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.949 -6.728 5.973 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.099 -4.370 4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.849 -5.498 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.128 -4.108 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.283 -5.572 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.099 -6.520 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.556 -6.955 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.646 -3.390 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.967 -2.931 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.699 -4.342 2.759 1.00 0.00 H new ATOM 832 N ALA A 50 2.146 -5.850 5.249 1.00 0.00 N ATOM 833 CA ALA A 50 3.460 -6.380 4.951 1.00 0.00 C ATOM 834 C ALA A 50 3.870 -7.387 6.000 1.00 0.00 C ATOM 835 O ALA A 50 4.276 -8.511 5.677 1.00 0.00 O ATOM 836 CB ALA A 50 4.487 -5.250 4.888 1.00 0.00 C ATOM 0 H ALA A 50 2.117 -4.841 5.398 1.00 0.00 H new ATOM 0 HA ALA A 50 3.420 -6.876 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.470 -5.664 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.203 -4.544 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.521 -4.735 5.848 1.00 0.00 H new ATOM 842 N TYR A 51 3.753 -6.987 7.258 1.00 0.00 N ATOM 843 CA TYR A 51 4.124 -7.848 8.360 1.00 0.00 C ATOM 844 C TYR A 51 3.279 -9.113 8.397 1.00 0.00 C ATOM 845 O TYR A 51 3.817 -10.219 8.434 1.00 0.00 O ATOM 846 CB TYR A 51 4.015 -7.095 9.689 1.00 0.00 C ATOM 847 CG TYR A 51 4.281 -8.054 10.821 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.579 -8.517 11.054 1.00 0.00 C ATOM 849 CD2 TYR A 51 3.225 -8.493 11.623 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.818 -9.416 12.092 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.464 -9.392 12.659 1.00 0.00 C ATOM 852 CZ TYR A 51 4.761 -9.854 12.895 1.00 0.00 C ATOM 853 OH TYR A 51 4.995 -10.745 13.922 1.00 0.00 O ATOM 0 H TYR A 51 3.403 -6.070 7.536 1.00 0.00 H new ATOM 0 HA TYR A 51 5.161 -8.148 8.207 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.731 -6.273 9.716 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.023 -6.656 9.793 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.394 -8.179 10.432 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.223 -8.135 11.439 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.820 -9.774 12.276 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.648 -9.732 13.279 1.00 0.00 H new ATOM 0 HH TYR A 51 4.152 -10.944 14.381 1.00 0.00 H new ATOM 863 N TYR A 52 1.963 -8.964 8.335 1.00 0.00 N ATOM 864 CA TYR A 52 1.099 -10.136 8.325 1.00 0.00 C ATOM 865 C TYR A 52 1.279 -10.927 7.050 1.00 0.00 C ATOM 866 O TYR A 52 1.385 -12.163 7.077 1.00 0.00 O ATOM 867 CB TYR A 52 -0.374 -9.766 8.543 1.00 0.00 C ATOM 868 CG TYR A 52 -0.616 -9.546 10.023 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.741 -10.648 10.878 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.706 -8.249 10.542 1.00 0.00 C ATOM 871 CE1 TYR A 52 -0.958 -10.454 12.241 1.00 0.00 C ATOM 872 CE2 TYR A 52 -0.922 -8.058 11.908 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.049 -9.159 12.757 1.00 0.00 C ATOM 874 OH TYR A 52 -1.259 -8.971 14.104 1.00 0.00 O ATOM 0 H TYR A 52 1.479 -8.067 8.292 1.00 0.00 H new ATOM 0 HA TYR A 52 1.398 -10.766 9.163 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.622 -8.864 7.983 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.020 -10.560 8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.669 -11.650 10.481 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.608 -7.397 9.886 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.056 -11.305 12.899 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.991 -7.057 12.308 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.296 -8.011 14.298 1.00 0.00 H new ATOM 884 N LEU A 53 1.373 -10.223 5.932 1.00 0.00 N ATOM 885 CA LEU A 53 1.588 -10.884 4.665 1.00 0.00 C ATOM 886 C LEU A 53 2.931 -11.601 4.692 1.00 0.00 C ATOM 887 O LEU A 53 3.018 -12.776 4.328 1.00 0.00 O ATOM 888 CB LEU A 53 1.510 -9.879 3.499 1.00 0.00 C ATOM 889 CG LEU A 53 1.542 -10.605 2.148 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.947 -11.111 1.855 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.571 -11.784 2.164 1.00 0.00 C ATOM 0 H LEU A 53 1.304 -9.207 5.881 1.00 0.00 H new ATOM 0 HA LEU A 53 0.801 -11.621 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.595 -9.292 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.343 -9.179 3.560 1.00 0.00 H new ATOM 0 HG LEU A 53 1.245 -9.902 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.956 -11.624 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.638 -10.268 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.255 -11.803 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.601 -12.293 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.858 -12.481 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.439 -11.421 2.351 1.00 0.00 H new ATOM 903 N ASN A 54 3.952 -10.900 5.221 1.00 0.00 N ATOM 904 CA ASN A 54 5.315 -11.429 5.443 1.00 0.00 C ATOM 905 C ASN A 54 6.301 -10.946 4.377 1.00 0.00 C ATOM 906 O ASN A 54 7.267 -11.641 4.060 1.00 0.00 O ATOM 907 CB ASN A 54 5.321 -12.968 5.509 1.00 0.00 C ATOM 908 CG ASN A 54 5.532 -13.545 4.125 1.00 0.00 C ATOM 909 OD1 ASN A 54 6.026 -14.665 3.984 1.00 0.00 O ATOM 910 ND2 ASN A 54 5.164 -12.860 3.089 1.00 0.00 N ATOM 0 H ASN A 54 3.852 -9.928 5.513 1.00 0.00 H new ATOM 0 HA ASN A 54 5.643 -11.039 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.111 -13.308 6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.378 -13.326 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.283 -13.247 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.755 -11.933 3.209 1.00 0.00 H new ATOM 917 N THR A 55 6.042 -9.797 3.791 1.00 0.00 N ATOM 918 CA THR A 55 6.890 -9.327 2.704 1.00 0.00 C ATOM 919 C THR A 55 7.023 -7.797 2.717 1.00 0.00 C ATOM 920 O THR A 55 6.249 -7.110 3.390 1.00 0.00 O ATOM 921 CB THR A 55 6.317 -9.845 1.363 1.00 0.00 C ATOM 922 OG1 THR A 55 7.358 -10.041 0.414 1.00 0.00 O ATOM 923 CG2 THR A 55 5.274 -8.874 0.811 1.00 0.00 C ATOM 0 H THR A 55 5.269 -9.178 4.038 1.00 0.00 H new ATOM 0 HA THR A 55 7.898 -9.721 2.834 1.00 0.00 H new ATOM 0 HB THR A 55 5.833 -10.804 1.550 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.102 -9.636 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.884 -9.257 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.458 -8.771 1.526 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.735 -7.901 0.644 1.00 0.00 H new ATOM 931 N PRO A 56 7.981 -7.260 1.984 1.00 0.00 N ATOM 932 CA PRO A 56 8.207 -5.781 1.886 1.00 0.00 C ATOM 933 C PRO A 56 7.001 -5.061 1.294 1.00 0.00 C ATOM 934 O PRO A 56 6.264 -5.627 0.488 1.00 0.00 O ATOM 935 CB PRO A 56 9.423 -5.654 0.952 1.00 0.00 C ATOM 936 CG PRO A 56 10.089 -6.990 1.015 1.00 0.00 C ATOM 937 CD PRO A 56 8.960 -8.000 1.166 1.00 0.00 C ATOM 0 HA PRO A 56 8.366 -5.327 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.117 -5.411 -0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.094 -4.861 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.669 -7.182 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.780 -7.045 1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.545 -8.293 0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.294 -8.913 1.659 1.00 0.00 H new ATOM 945 N LEU A 57 6.823 -3.805 1.676 1.00 0.00 N ATOM 946 CA LEU A 57 5.697 -3.017 1.191 1.00 0.00 C ATOM 947 C LEU A 57 5.743 -2.895 -0.313 1.00 0.00 C ATOM 948 O LEU A 57 4.718 -2.975 -0.974 1.00 0.00 O ATOM 949 CB LEU A 57 5.693 -1.612 1.819 1.00 0.00 C ATOM 950 CG LEU A 57 5.021 -1.632 3.197 1.00 0.00 C ATOM 951 CD1 LEU A 57 3.620 -2.227 3.084 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.850 -2.457 4.176 1.00 0.00 C ATOM 0 H LEU A 57 7.441 -3.310 2.319 1.00 0.00 H new ATOM 0 HA LEU A 57 4.783 -3.534 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.716 -1.249 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.168 -0.918 1.163 1.00 0.00 H new ATOM 0 HG LEU A 57 4.950 -0.609 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.149 -2.238 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.022 -1.623 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.687 -3.246 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.362 -2.463 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.938 -3.479 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.844 -2.019 4.271 1.00 0.00 H new ATOM 964 N GLU A 58 6.928 -2.704 -0.847 1.00 0.00 N ATOM 965 CA GLU A 58 7.090 -2.554 -2.281 1.00 0.00 C ATOM 966 C GLU A 58 6.646 -3.824 -3.000 1.00 0.00 C ATOM 967 O GLU A 58 6.063 -3.764 -4.084 1.00 0.00 O ATOM 968 CB GLU A 58 8.549 -2.261 -2.609 1.00 0.00 C ATOM 969 CG GLU A 58 8.923 -0.879 -2.055 1.00 0.00 C ATOM 970 CD GLU A 58 10.394 -0.575 -2.282 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.087 -1.410 -2.826 1.00 0.00 O ATOM 972 OE2 GLU A 58 10.810 0.485 -1.894 1.00 0.00 O ATOM 0 H GLU A 58 7.795 -2.648 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 58 6.470 -1.723 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.193 -3.026 -2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.704 -2.288 -3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.313 -0.114 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.701 -0.840 -0.988 1.00 0.00 H new ATOM 979 N ASP A 59 6.928 -4.968 -2.389 1.00 0.00 N ATOM 980 CA ASP A 59 6.581 -6.266 -2.975 1.00 0.00 C ATOM 981 C ASP A 59 5.087 -6.335 -3.207 1.00 0.00 C ATOM 982 O ASP A 59 4.622 -6.783 -4.256 1.00 0.00 O ATOM 983 CB ASP A 59 6.980 -7.391 -2.001 1.00 0.00 C ATOM 984 CG ASP A 59 7.039 -8.745 -2.677 1.00 0.00 C ATOM 985 OD1 ASP A 59 7.367 -8.799 -3.844 1.00 0.00 O ATOM 986 OD2 ASP A 59 6.795 -9.722 -2.003 1.00 0.00 O ATOM 0 H ASP A 59 7.397 -5.028 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 59 7.110 -6.384 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.953 -7.163 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.264 -7.428 -1.180 1.00 0.00 H new ATOM 991 N ILE A 60 4.343 -5.899 -2.212 1.00 0.00 N ATOM 992 CA ILE A 60 2.891 -5.918 -2.262 1.00 0.00 C ATOM 993 C ILE A 60 2.319 -4.623 -2.831 1.00 0.00 C ATOM 994 O ILE A 60 1.441 -4.651 -3.702 1.00 0.00 O ATOM 995 CB ILE A 60 2.338 -6.212 -0.862 1.00 0.00 C ATOM 996 CG1 ILE A 60 2.992 -5.265 0.156 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.658 -7.660 -0.481 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.378 -5.479 1.535 1.00 0.00 C ATOM 0 H ILE A 60 4.725 -5.521 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 60 2.579 -6.711 -2.942 1.00 0.00 H new ATOM 0 HB ILE A 60 1.258 -6.063 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.066 -5.445 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.854 -4.230 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.265 -7.870 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.199 -8.336 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.738 -7.807 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.847 -4.804 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.308 -5.276 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.539 -6.510 1.849 1.00 0.00 H new ATOM 1010 N PHE A 61 2.872 -3.499 -2.408 1.00 0.00 N ATOM 1011 CA PHE A 61 2.459 -2.199 -2.920 1.00 0.00 C ATOM 1012 C PHE A 61 3.647 -1.514 -3.578 1.00 0.00 C ATOM 1013 O PHE A 61 4.437 -0.841 -2.905 1.00 0.00 O ATOM 1014 CB PHE A 61 1.909 -1.322 -1.775 1.00 0.00 C ATOM 1015 CG PHE A 61 0.761 -2.038 -1.081 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.509 -2.058 -1.664 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.975 -2.690 0.141 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.563 -2.727 -1.031 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.082 -3.362 0.772 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.351 -3.378 0.185 1.00 0.00 C ATOM 0 H PHE A 61 3.612 -3.459 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 61 1.669 -2.340 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.701 -1.106 -1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.567 -0.365 -2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.678 -1.556 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.954 -2.675 0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.543 -2.739 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.084 -3.867 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.166 -3.893 0.672 1.00 0.00 H new