USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 584 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 1 MET CE :methyl -164:sc= -0.064 (180deg=-0.45) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0577 (180deg=-0.265) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= 1.18 (180deg=1.01) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000822) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.0563 X(o=-0.056,f=-0.099) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -4.04! C(o=-4!,f=-7.1!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0523) USER MOD Single : A 36 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0.575 (180deg=0.561) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0881 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.69! K(o=-2.7!,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.0731 K(o=-0.073,f=-1.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.0433 (180deg=-0.333) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0.563 K(o=0.56,f=-5.4!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.00084) USER MOD Single : A 73 HIS : no HE2:sc= 0.476 K(o=0.48,f=-2.8!) USER MOD Single : A 74 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.291 -3.470 -2.946 1.00 0.00 N ATOM 2 CA MET A 1 -14.040 -4.175 -3.302 1.00 0.00 C ATOM 3 C MET A 1 -12.830 -3.452 -2.707 1.00 0.00 C ATOM 4 O MET A 1 -11.720 -3.536 -3.226 1.00 0.00 O ATOM 5 CB MET A 1 -13.917 -4.270 -4.830 1.00 0.00 C ATOM 6 CG MET A 1 -12.834 -5.232 -5.303 1.00 0.00 C ATOM 7 SD MET A 1 -12.641 -5.239 -7.097 1.00 0.00 S ATOM 8 CE MET A 1 -14.241 -5.855 -7.611 1.00 0.00 C ATOM 0 H1 MET A 1 -16.082 -3.869 -3.491 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.478 -3.586 -1.930 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.194 -2.458 -3.167 1.00 0.00 H new ATOM 0 HA MET A 1 -14.069 -5.183 -2.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.875 -4.585 -5.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.708 -3.278 -5.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.885 -4.959 -4.841 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.076 -6.239 -4.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.188 -6.183 -8.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.528 -6.695 -6.979 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.983 -5.062 -7.519 1.00 0.00 H new ATOM 20 N ALA A 2 -13.043 -2.749 -1.603 1.00 0.00 N ATOM 21 CA ALA A 2 -11.953 -2.077 -0.919 1.00 0.00 C ATOM 22 C ALA A 2 -11.539 -2.892 0.294 1.00 0.00 C ATOM 23 O ALA A 2 -12.317 -3.057 1.235 1.00 0.00 O ATOM 24 CB ALA A 2 -12.357 -0.667 -0.507 1.00 0.00 C ATOM 0 H ALA A 2 -13.957 -2.631 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.106 -1.993 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.524 -0.184 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.622 -0.091 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.214 -0.716 0.164 1.00 0.00 H new ATOM 30 N MET A 3 -10.328 -3.416 0.262 1.00 0.00 N ATOM 31 CA MET A 3 -9.844 -4.257 1.341 1.00 0.00 C ATOM 32 C MET A 3 -8.989 -3.465 2.311 1.00 0.00 C ATOM 33 O MET A 3 -8.436 -2.416 1.961 1.00 0.00 O ATOM 34 CB MET A 3 -9.053 -5.442 0.805 1.00 0.00 C ATOM 35 CG MET A 3 -9.932 -6.521 0.198 1.00 0.00 C ATOM 36 SD MET A 3 -10.588 -6.082 -1.424 1.00 0.00 S ATOM 37 CE MET A 3 -11.570 -7.534 -1.792 1.00 0.00 C ATOM 0 H MET A 3 -9.662 -3.275 -0.498 1.00 0.00 H new ATOM 0 HA MET A 3 -10.718 -4.634 1.872 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.348 -5.090 0.052 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.465 -5.874 1.614 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.356 -7.442 0.112 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.762 -6.726 0.874 1.00 0.00 H new ATOM 0 HE1 MET A 3 -12.043 -7.416 -2.767 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.927 -8.414 -1.804 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.338 -7.657 -1.029 1.00 0.00 H new ATOM 47 N ASN A 4 -8.892 -3.969 3.527 1.00 0.00 N ATOM 48 CA ASN A 4 -8.083 -3.343 4.556 1.00 0.00 C ATOM 49 C ASN A 4 -6.719 -4.004 4.590 1.00 0.00 C ATOM 50 O ASN A 4 -6.615 -5.230 4.634 1.00 0.00 O ATOM 51 CB ASN A 4 -8.747 -3.473 5.927 1.00 0.00 C ATOM 52 CG ASN A 4 -10.159 -2.914 5.959 1.00 0.00 C ATOM 53 OD1 ASN A 4 -11.121 -3.612 5.642 1.00 0.00 O ATOM 54 ND2 ASN A 4 -10.300 -1.660 6.359 1.00 0.00 N ATOM 0 H ASN A 4 -9.369 -4.819 3.828 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.980 -2.283 4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.772 -4.524 6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.140 -2.954 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.229 -1.243 6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.479 -1.111 6.614 1.00 0.00 H new ATOM 61 N GLY A 5 -5.684 -3.194 4.570 1.00 0.00 N ATOM 62 CA GLY A 5 -4.338 -3.717 4.541 1.00 0.00 C ATOM 63 C GLY A 5 -3.397 -2.911 5.405 1.00 0.00 C ATOM 64 O GLY A 5 -3.767 -1.856 5.921 1.00 0.00 O ATOM 0 H GLY A 5 -5.748 -2.176 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.344 -4.753 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.973 -3.721 3.514 1.00 0.00 H new ATOM 68 N THR A 6 -2.185 -3.405 5.575 1.00 0.00 N ATOM 69 CA THR A 6 -1.183 -2.710 6.361 1.00 0.00 C ATOM 70 C THR A 6 0.138 -2.670 5.605 1.00 0.00 C ATOM 71 O THR A 6 0.525 -3.647 4.958 1.00 0.00 O ATOM 72 CB THR A 6 -0.974 -3.396 7.723 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.247 -3.716 8.301 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.199 -2.497 8.677 1.00 0.00 C ATOM 0 H THR A 6 -1.870 -4.290 5.177 1.00 0.00 H new ATOM 0 HA THR A 6 -1.537 -1.694 6.535 1.00 0.00 H new ATOM 0 HB THR A 6 -0.398 -4.307 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.112 -4.154 9.167 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.066 -3.007 9.631 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.777 -2.268 8.249 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.752 -1.571 8.835 1.00 0.00 H new ATOM 82 N ILE A 7 0.815 -1.537 5.677 1.00 0.00 N ATOM 83 CA ILE A 7 2.081 -1.355 4.982 1.00 0.00 C ATOM 84 C ILE A 7 3.197 -2.071 5.732 1.00 0.00 C ATOM 85 O ILE A 7 3.640 -1.613 6.785 1.00 0.00 O ATOM 86 CB ILE A 7 2.436 0.142 4.837 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.270 0.904 4.198 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.700 0.308 4.004 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.507 2.394 4.067 1.00 0.00 C ATOM 0 H ILE A 7 0.509 -0.725 6.212 1.00 0.00 H new ATOM 0 HA ILE A 7 1.976 -1.781 3.984 1.00 0.00 H new ATOM 0 HB ILE A 7 2.619 0.555 5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.076 0.489 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.372 0.740 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.938 1.368 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.527 -0.208 4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.541 -0.117 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.637 2.862 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.670 2.825 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.385 2.569 3.445 1.00 0.00 H new ATOM 101 N THR A 8 3.647 -3.192 5.191 1.00 0.00 N ATOM 102 CA THR A 8 4.618 -4.024 5.873 1.00 0.00 C ATOM 103 C THR A 8 6.028 -3.701 5.398 1.00 0.00 C ATOM 104 O THR A 8 6.875 -3.254 6.178 1.00 0.00 O ATOM 105 CB THR A 8 4.307 -5.514 5.642 1.00 0.00 C ATOM 106 OG1 THR A 8 3.961 -5.733 4.268 1.00 0.00 O ATOM 107 CG2 THR A 8 3.167 -5.977 6.536 1.00 0.00 C ATOM 0 H THR A 8 3.353 -3.545 4.280 1.00 0.00 H new ATOM 0 HA THR A 8 4.556 -3.816 6.941 1.00 0.00 H new ATOM 0 HB THR A 8 5.198 -6.091 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.766 -6.683 4.127 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.967 -7.033 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.443 -5.836 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.272 -5.395 6.315 1.00 0.00 H new ATOM 115 N THR A 9 6.263 -3.905 4.113 1.00 0.00 N ATOM 116 CA THR A 9 7.537 -3.592 3.506 1.00 0.00 C ATOM 117 C THR A 9 7.445 -2.243 2.809 1.00 0.00 C ATOM 118 O THR A 9 6.644 -2.065 1.897 1.00 0.00 O ATOM 119 CB THR A 9 7.936 -4.674 2.487 1.00 0.00 C ATOM 120 OG1 THR A 9 7.807 -5.973 3.081 1.00 0.00 O ATOM 121 CG2 THR A 9 9.366 -4.474 2.010 1.00 0.00 C ATOM 0 H THR A 9 5.575 -4.291 3.466 1.00 0.00 H new ATOM 0 HA THR A 9 8.297 -3.555 4.286 1.00 0.00 H new ATOM 0 HB THR A 9 7.270 -4.594 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.060 -6.658 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.622 -5.252 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.458 -3.497 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.045 -4.529 2.861 1.00 0.00 H new ATOM 129 N TRP A 10 8.238 -1.288 3.248 1.00 0.00 N ATOM 130 CA TRP A 10 8.195 0.042 2.671 1.00 0.00 C ATOM 131 C TRP A 10 9.593 0.622 2.543 1.00 0.00 C ATOM 132 O TRP A 10 10.363 0.643 3.504 1.00 0.00 O ATOM 133 CB TRP A 10 7.308 0.964 3.517 1.00 0.00 C ATOM 134 CG TRP A 10 7.285 2.383 3.032 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.656 3.491 3.738 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.887 2.847 1.736 1.00 0.00 C ATOM 137 NE1 TRP A 10 7.502 4.614 2.966 1.00 0.00 N ATOM 138 CE2 TRP A 10 7.038 4.245 1.729 1.00 0.00 C ATOM 139 CE3 TRP A 10 6.418 2.217 0.579 1.00 0.00 C ATOM 140 CZ2 TRP A 10 6.735 5.023 0.613 1.00 0.00 C ATOM 141 CZ3 TRP A 10 6.120 2.988 -0.527 1.00 0.00 C ATOM 142 CH2 TRP A 10 6.282 4.378 -0.505 1.00 0.00 C ATOM 0 H TRP A 10 8.918 -1.405 3.999 1.00 0.00 H new ATOM 0 HA TRP A 10 7.766 -0.034 1.672 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.291 0.573 3.520 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.660 0.947 4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.018 3.484 4.756 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.700 5.569 3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.291 1.145 0.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 6.854 6.096 0.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 5.756 2.510 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 10 6.045 4.953 -1.388 1.00 0.00 H new ATOM 153 N PHE A 11 9.922 1.072 1.345 1.00 0.00 N ATOM 154 CA PHE A 11 11.181 1.749 1.111 1.00 0.00 C ATOM 155 C PHE A 11 10.910 3.180 0.674 1.00 0.00 C ATOM 156 O PHE A 11 10.750 3.452 -0.516 1.00 0.00 O ATOM 157 CB PHE A 11 12.008 1.022 0.048 1.00 0.00 C ATOM 158 CG PHE A 11 12.273 -0.424 0.362 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.146 -0.778 1.378 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.643 -1.426 -0.358 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.388 -2.107 1.669 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.882 -2.757 -0.070 1.00 0.00 C ATOM 163 CZ PHE A 11 12.755 -3.098 0.944 1.00 0.00 C ATOM 0 H PHE A 11 9.332 0.979 0.518 1.00 0.00 H new ATOM 0 HA PHE A 11 11.754 1.750 2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.489 1.086 -0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.961 1.538 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.643 -0.007 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.959 -1.165 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.071 -2.371 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.386 -3.530 -0.638 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.943 -4.137 1.170 1.00 0.00 H new ATOM 173 N LYS A 12 10.823 4.083 1.643 1.00 0.00 N ATOM 174 CA LYS A 12 10.551 5.492 1.370 1.00 0.00 C ATOM 175 C LYS A 12 11.680 6.092 0.543 1.00 0.00 C ATOM 176 O LYS A 12 11.468 6.957 -0.310 1.00 0.00 O ATOM 177 CB LYS A 12 10.404 6.248 2.691 1.00 0.00 C ATOM 178 CG LYS A 12 9.901 7.674 2.539 1.00 0.00 C ATOM 179 CD LYS A 12 9.777 8.357 3.890 1.00 0.00 C ATOM 180 CE LYS A 12 9.079 9.703 3.779 1.00 0.00 C ATOM 181 NZ LYS A 12 8.984 10.389 5.093 1.00 0.00 N ATOM 0 H LYS A 12 10.938 3.864 2.633 1.00 0.00 H new ATOM 0 HA LYS A 12 9.624 5.577 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.718 5.699 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.370 6.267 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.584 8.238 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.932 7.670 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.221 7.714 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.769 8.496 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.622 10.336 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.078 9.560 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.502 11.303 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.444 9.797 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.940 10.549 5.471 1.00 0.00 H new ATOM 195 N ASP A 13 12.878 5.607 0.812 1.00 0.00 N ATOM 196 CA ASP A 13 14.078 6.022 0.097 1.00 0.00 C ATOM 197 C ASP A 13 14.060 5.541 -1.357 1.00 0.00 C ATOM 198 O ASP A 13 14.733 6.106 -2.219 1.00 0.00 O ATOM 199 CB ASP A 13 15.308 5.484 0.837 1.00 0.00 C ATOM 200 CG ASP A 13 16.586 5.566 0.033 1.00 0.00 C ATOM 201 OD1 ASP A 13 17.148 6.671 -0.096 1.00 0.00 O ATOM 202 OD2 ASP A 13 17.047 4.512 -0.454 1.00 0.00 O ATOM 0 H ASP A 13 13.050 4.910 1.536 1.00 0.00 H new ATOM 0 HA ASP A 13 14.116 7.111 0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.436 6.043 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.129 4.445 1.113 1.00 0.00 H new ATOM 207 N LYS A 14 13.273 4.507 -1.637 1.00 0.00 N ATOM 208 CA LYS A 14 13.214 3.946 -2.982 1.00 0.00 C ATOM 209 C LYS A 14 11.960 4.409 -3.722 1.00 0.00 C ATOM 210 O LYS A 14 12.030 4.802 -4.886 1.00 0.00 O ATOM 211 CB LYS A 14 13.265 2.420 -2.928 1.00 0.00 C ATOM 212 CG LYS A 14 14.432 1.802 -3.693 1.00 0.00 C ATOM 213 CD LYS A 14 15.784 2.186 -3.105 1.00 0.00 C ATOM 214 CE LYS A 14 16.289 3.519 -3.644 1.00 0.00 C ATOM 215 NZ LYS A 14 17.543 3.949 -2.972 1.00 0.00 N ATOM 0 H LYS A 14 12.671 4.043 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 14 14.083 4.308 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.323 2.107 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.332 2.023 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.332 0.717 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.389 2.120 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.703 2.242 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.511 1.406 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.463 3.435 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.522 4.281 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.099 4.542 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.310 4.494 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.099 3.111 -2.707 1.00 0.00 H new ATOM 229 N GLY A 15 10.817 4.358 -3.049 1.00 0.00 N ATOM 230 CA GLY A 15 9.583 4.830 -3.653 1.00 0.00 C ATOM 231 C GLY A 15 8.544 3.738 -3.844 1.00 0.00 C ATOM 232 O GLY A 15 7.456 3.996 -4.363 1.00 0.00 O ATOM 0 H GLY A 15 10.721 4.000 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.160 5.617 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.810 5.278 -4.621 1.00 0.00 H new ATOM 236 N PHE A 16 8.863 2.521 -3.425 1.00 0.00 N ATOM 237 CA PHE A 16 7.927 1.411 -3.555 1.00 0.00 C ATOM 238 C PHE A 16 7.969 0.518 -2.322 1.00 0.00 C ATOM 239 O PHE A 16 8.784 0.727 -1.417 1.00 0.00 O ATOM 240 CB PHE A 16 8.217 0.594 -4.821 1.00 0.00 C ATOM 241 CG PHE A 16 9.570 -0.065 -4.850 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.673 0.603 -5.359 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.734 -1.358 -4.379 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.912 -0.006 -5.394 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.970 -1.971 -4.413 1.00 0.00 C ATOM 246 CZ PHE A 16 12.060 -1.295 -4.922 1.00 0.00 C ATOM 0 H PHE A 16 9.755 2.277 -2.995 1.00 0.00 H new ATOM 0 HA PHE A 16 6.924 1.829 -3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.451 -0.175 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.129 1.249 -5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.562 1.610 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.884 -1.892 -3.981 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.764 0.526 -5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.084 -2.979 -4.042 1.00 0.00 H new ATOM 0 HZ PHE A 16 13.028 -1.774 -4.951 1.00 0.00 H new ATOM 256 N GLY A 17 7.090 -0.472 -2.296 1.00 0.00 N ATOM 257 CA GLY A 17 7.017 -1.378 -1.169 1.00 0.00 C ATOM 258 C GLY A 17 5.959 -2.446 -1.363 1.00 0.00 C ATOM 259 O GLY A 17 5.517 -2.692 -2.488 1.00 0.00 O ATOM 0 H GLY A 17 6.421 -0.665 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.987 -1.852 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.799 -0.812 -0.263 1.00 0.00 H new ATOM 263 N PHE A 18 5.547 -3.074 -0.269 1.00 0.00 N ATOM 264 CA PHE A 18 4.549 -4.126 -0.313 1.00 0.00 C ATOM 265 C PHE A 18 3.565 -3.949 0.829 1.00 0.00 C ATOM 266 O PHE A 18 3.956 -3.781 1.986 1.00 0.00 O ATOM 267 CB PHE A 18 5.197 -5.512 -0.212 1.00 0.00 C ATOM 268 CG PHE A 18 6.157 -5.835 -1.325 1.00 0.00 C ATOM 269 CD1 PHE A 18 5.693 -6.316 -2.538 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.522 -5.663 -1.155 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.570 -6.618 -3.561 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.404 -5.962 -2.176 1.00 0.00 C ATOM 273 CZ PHE A 18 7.927 -6.440 -3.380 1.00 0.00 C ATOM 0 H PHE A 18 5.895 -2.867 0.667 1.00 0.00 H new ATOM 0 HA PHE A 18 4.029 -4.056 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.725 -5.584 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.411 -6.267 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.632 -6.457 -2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.900 -5.291 -0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.195 -6.993 -4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.465 -5.822 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.614 -6.674 -4.179 1.00 0.00 H new ATOM 283 N ILE A 19 2.294 -3.977 0.498 1.00 0.00 N ATOM 284 CA ILE A 19 1.243 -3.865 1.489 1.00 0.00 C ATOM 285 C ILE A 19 0.433 -5.146 1.501 1.00 0.00 C ATOM 286 O ILE A 19 0.034 -5.649 0.448 1.00 0.00 O ATOM 287 CB ILE A 19 0.322 -2.660 1.207 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.119 -1.354 1.283 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.848 -2.635 2.182 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.311 -0.125 0.925 1.00 0.00 C ATOM 0 H ILE A 19 1.959 -4.077 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 19 1.704 -3.705 2.464 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.081 -2.761 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.513 -1.237 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.976 -1.422 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.484 -1.777 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.428 -3.552 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.470 -2.558 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.942 0.760 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.061 -0.218 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.531 -0.031 1.611 1.00 0.00 H new ATOM 302 N LYS A 20 0.219 -5.681 2.686 1.00 0.00 N ATOM 303 CA LYS A 20 -0.509 -6.924 2.846 1.00 0.00 C ATOM 304 C LYS A 20 -1.894 -6.642 3.399 1.00 0.00 C ATOM 305 O LYS A 20 -2.031 -5.908 4.380 1.00 0.00 O ATOM 306 CB LYS A 20 0.252 -7.839 3.805 1.00 0.00 C ATOM 307 CG LYS A 20 -0.396 -9.194 4.007 1.00 0.00 C ATOM 308 CD LYS A 20 -0.242 -9.667 5.439 1.00 0.00 C ATOM 309 CE LYS A 20 -0.758 -11.084 5.620 1.00 0.00 C ATOM 310 NZ LYS A 20 0.184 -12.092 5.066 1.00 0.00 N ATOM 0 H LYS A 20 0.543 -5.269 3.561 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.605 -7.413 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.264 -7.984 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.341 -7.342 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.454 -9.136 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.055 -9.920 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.809 -9.623 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.783 -8.995 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.917 -11.280 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.726 -11.183 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.197 -13.047 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.303 -11.932 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.105 -12.004 5.540 1.00 0.00 H new ATOM 324 N ASP A 21 -2.919 -7.204 2.775 1.00 0.00 N ATOM 325 CA ASP A 21 -4.262 -7.080 3.312 1.00 0.00 C ATOM 326 C ASP A 21 -4.567 -8.264 4.205 1.00 0.00 C ATOM 327 O ASP A 21 -3.764 -9.190 4.329 1.00 0.00 O ATOM 328 CB ASP A 21 -5.337 -6.944 2.217 1.00 0.00 C ATOM 329 CG ASP A 21 -5.411 -8.127 1.267 1.00 0.00 C ATOM 330 OD1 ASP A 21 -5.705 -9.247 1.725 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.197 -7.935 0.051 1.00 0.00 O ATOM 0 H ASP A 21 -2.848 -7.741 1.911 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.293 -6.158 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.309 -6.813 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.140 -6.041 1.640 1.00 0.00 H new ATOM 336 N GLU A 22 -5.727 -8.231 4.823 1.00 0.00 N ATOM 337 CA GLU A 22 -6.101 -9.241 5.789 1.00 0.00 C ATOM 338 C GLU A 22 -7.043 -10.276 5.181 1.00 0.00 C ATOM 339 O GLU A 22 -7.695 -11.035 5.901 1.00 0.00 O ATOM 340 CB GLU A 22 -6.746 -8.568 6.992 1.00 0.00 C ATOM 341 CG GLU A 22 -5.842 -7.549 7.667 1.00 0.00 C ATOM 342 CD GLU A 22 -6.357 -7.123 9.023 1.00 0.00 C ATOM 343 OE1 GLU A 22 -7.351 -6.373 9.084 1.00 0.00 O ATOM 344 OE2 GLU A 22 -5.774 -7.554 10.039 1.00 0.00 O ATOM 0 H GLU A 22 -6.433 -7.510 4.672 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.203 -9.771 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.665 -8.075 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.028 -9.330 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.844 -7.972 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.747 -6.672 7.027 1.00 0.00 H new ATOM 351 N ASN A 23 -7.097 -10.321 3.857 1.00 0.00 N ATOM 352 CA ASN A 23 -7.973 -11.256 3.166 1.00 0.00 C ATOM 353 C ASN A 23 -7.167 -12.276 2.372 1.00 0.00 C ATOM 354 O ASN A 23 -7.468 -13.470 2.399 1.00 0.00 O ATOM 355 CB ASN A 23 -8.945 -10.511 2.240 1.00 0.00 C ATOM 356 CG ASN A 23 -9.792 -11.457 1.403 1.00 0.00 C ATOM 357 OD1 ASN A 23 -10.814 -11.968 1.863 1.00 0.00 O ATOM 358 ND2 ASN A 23 -9.390 -11.676 0.158 1.00 0.00 N ATOM 0 H ASN A 23 -6.546 -9.723 3.242 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.552 -11.788 3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.599 -9.877 2.839 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.380 -9.853 1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.933 -12.285 -0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.538 -11.235 -0.188 1.00 0.00 H new ATOM 365 N GLY A 24 -6.144 -11.807 1.672 1.00 0.00 N ATOM 366 CA GLY A 24 -5.369 -12.684 0.823 1.00 0.00 C ATOM 367 C GLY A 24 -3.892 -12.689 1.164 1.00 0.00 C ATOM 368 O GLY A 24 -3.415 -13.575 1.874 1.00 0.00 O ATOM 0 H GLY A 24 -5.838 -10.834 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.759 -13.699 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.495 -12.379 -0.216 1.00 0.00 H new ATOM 372 N ASP A 25 -3.169 -11.684 0.684 1.00 0.00 N ATOM 373 CA ASP A 25 -1.713 -11.674 0.776 1.00 0.00 C ATOM 374 C ASP A 25 -1.193 -10.245 0.585 1.00 0.00 C ATOM 375 O ASP A 25 -1.950 -9.287 0.748 1.00 0.00 O ATOM 376 CB ASP A 25 -1.143 -12.616 -0.295 1.00 0.00 C ATOM 377 CG ASP A 25 0.303 -12.992 -0.052 1.00 0.00 C ATOM 378 OD1 ASP A 25 0.566 -13.835 0.830 1.00 0.00 O ATOM 379 OD2 ASP A 25 1.184 -12.438 -0.734 1.00 0.00 O ATOM 0 H ASP A 25 -3.567 -10.864 0.226 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.394 -12.021 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.746 -13.523 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.228 -12.139 -1.271 1.00 0.00 H new ATOM 384 N ASN A 26 0.083 -10.088 0.253 1.00 0.00 N ATOM 385 CA ASN A 26 0.643 -8.774 0.012 1.00 0.00 C ATOM 386 C ASN A 26 0.709 -8.495 -1.483 1.00 0.00 C ATOM 387 O ASN A 26 0.748 -9.414 -2.301 1.00 0.00 O ATOM 388 CB ASN A 26 2.030 -8.641 0.651 1.00 0.00 C ATOM 389 CG ASN A 26 3.038 -9.653 0.140 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.161 -10.750 0.685 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.789 -9.282 -0.887 1.00 0.00 N ATOM 0 H ASN A 26 0.745 -10.857 0.146 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.009 -8.034 0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.411 -7.637 0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.934 -8.751 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.500 -9.915 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.656 -8.364 -1.311 1.00 0.00 H new ATOM 398 N ARG A 27 0.684 -7.222 -1.839 1.00 0.00 N ATOM 399 CA ARG A 27 0.699 -6.809 -3.237 1.00 0.00 C ATOM 400 C ARG A 27 1.877 -5.881 -3.480 1.00 0.00 C ATOM 401 O ARG A 27 2.464 -5.362 -2.529 1.00 0.00 O ATOM 402 CB ARG A 27 -0.609 -6.090 -3.618 1.00 0.00 C ATOM 403 CG ARG A 27 -1.873 -6.930 -3.453 1.00 0.00 C ATOM 404 CD ARG A 27 -2.237 -7.122 -1.987 1.00 0.00 C ATOM 405 NE ARG A 27 -3.365 -8.029 -1.795 1.00 0.00 N ATOM 406 CZ ARG A 27 -3.369 -9.320 -2.127 1.00 0.00 C ATOM 407 NH1 ARG A 27 -2.300 -9.885 -2.678 1.00 0.00 N ATOM 408 NH2 ARG A 27 -4.436 -10.056 -1.856 1.00 0.00 N ATOM 0 H ARG A 27 0.653 -6.449 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 27 0.793 -7.701 -3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.704 -5.192 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.539 -5.764 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.701 -6.447 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.726 -7.903 -3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.371 -7.509 -1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.477 -6.154 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.213 -7.646 -1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.462 -9.330 -2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.317 -10.874 -2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.244 -9.634 -1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.450 -11.045 -2.106 1.00 0.00 H new ATOM 422 N TYR A 28 2.230 -5.684 -4.738 1.00 0.00 N ATOM 423 CA TYR A 28 3.280 -4.742 -5.087 1.00 0.00 C ATOM 424 C TYR A 28 2.716 -3.329 -5.121 1.00 0.00 C ATOM 425 O TYR A 28 1.689 -3.078 -5.756 1.00 0.00 O ATOM 426 CB TYR A 28 3.905 -5.100 -6.437 1.00 0.00 C ATOM 427 CG TYR A 28 5.042 -4.183 -6.835 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.276 -4.266 -6.204 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.880 -3.233 -7.837 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.318 -3.434 -6.561 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.919 -2.396 -8.200 1.00 0.00 C ATOM 432 CZ TYR A 28 7.134 -2.499 -7.556 1.00 0.00 C ATOM 433 OH TYR A 28 8.173 -1.672 -7.918 1.00 0.00 O ATOM 0 H TYR A 28 1.807 -6.162 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 28 4.061 -4.795 -4.329 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.272 -6.126 -6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.134 -5.066 -7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.423 -4.994 -5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.928 -3.147 -8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.273 -3.516 -6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.780 -1.666 -8.983 1.00 0.00 H new ATOM 0 HH TYR A 28 7.879 -1.071 -8.634 1.00 0.00 H new ATOM 443 N PHE A 29 3.374 -2.419 -4.420 1.00 0.00 N ATOM 444 CA PHE A 29 2.921 -1.038 -4.352 1.00 0.00 C ATOM 445 C PHE A 29 4.037 -0.075 -4.721 1.00 0.00 C ATOM 446 O PHE A 29 5.221 -0.398 -4.620 1.00 0.00 O ATOM 447 CB PHE A 29 2.401 -0.698 -2.954 1.00 0.00 C ATOM 448 CG PHE A 29 1.085 -1.339 -2.614 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.020 -2.668 -2.240 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.088 -0.605 -2.663 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.187 -3.255 -1.922 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.299 -1.189 -2.346 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.348 -2.514 -1.975 1.00 0.00 C ATOM 0 H PHE A 29 4.224 -2.612 -3.890 1.00 0.00 H new ATOM 0 HA PHE A 29 2.108 -0.931 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.143 -1.006 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.298 0.384 -2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.926 -3.254 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.056 0.435 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.222 -4.295 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.207 -0.606 -2.389 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.294 -2.972 -1.726 1.00 0.00 H new ATOM 463 N HIS A 30 3.638 1.109 -5.141 1.00 0.00 N ATOM 464 CA HIS A 30 4.555 2.175 -5.494 1.00 0.00 C ATOM 465 C HIS A 30 3.888 3.507 -5.163 1.00 0.00 C ATOM 466 O HIS A 30 2.660 3.613 -5.223 1.00 0.00 O ATOM 467 CB HIS A 30 4.917 2.086 -6.983 1.00 0.00 C ATOM 468 CG HIS A 30 5.935 3.093 -7.433 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.602 4.221 -8.145 1.00 0.00 N ATOM 470 CD2 HIS A 30 7.276 3.142 -7.264 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.686 4.924 -8.393 1.00 0.00 C ATOM 472 NE2 HIS A 30 7.716 4.294 -7.871 1.00 0.00 N ATOM 0 H HIS A 30 2.656 1.361 -5.248 1.00 0.00 H new ATOM 0 HA HIS A 30 5.482 2.087 -4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 30 5.295 1.086 -7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.010 2.215 -7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.886 2.414 -6.750 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.724 5.859 -8.933 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.685 4.610 -7.910 1.00 0.00 H new ATOM 481 N VAL A 31 4.690 4.514 -4.824 1.00 0.00 N ATOM 482 CA VAL A 31 4.187 5.805 -4.336 1.00 0.00 C ATOM 483 C VAL A 31 3.500 6.640 -5.446 1.00 0.00 C ATOM 484 O VAL A 31 3.428 7.866 -5.377 1.00 0.00 O ATOM 485 CB VAL A 31 5.349 6.610 -3.690 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.314 7.141 -4.743 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.823 7.735 -2.802 1.00 0.00 C ATOM 0 H VAL A 31 5.707 4.462 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 31 3.423 5.595 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 31 5.905 5.922 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.114 7.699 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.741 6.306 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.779 7.798 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.662 8.277 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.220 8.419 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.211 7.313 -2.005 1.00 0.00 H new ATOM 497 N ILE A 32 2.950 5.969 -6.448 1.00 0.00 N ATOM 498 CA ILE A 32 2.275 6.660 -7.536 1.00 0.00 C ATOM 499 C ILE A 32 0.797 6.263 -7.602 1.00 0.00 C ATOM 500 O ILE A 32 -0.057 7.068 -7.964 1.00 0.00 O ATOM 501 CB ILE A 32 2.959 6.376 -8.893 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.336 7.232 -9.985 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.842 4.904 -9.263 1.00 0.00 C ATOM 504 CD1 ILE A 32 3.214 7.387 -11.206 1.00 0.00 C ATOM 0 H ILE A 32 2.958 4.952 -6.530 1.00 0.00 H new ATOM 0 HA ILE A 32 2.343 7.729 -7.334 1.00 0.00 H new ATOM 0 HB ILE A 32 4.016 6.627 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.386 6.790 -10.285 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.114 8.219 -9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.331 4.730 -10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.322 4.297 -8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.790 4.630 -9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.706 8.009 -11.943 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.155 7.858 -10.920 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.415 6.406 -11.636 1.00 0.00 H new ATOM 516 N LYS A 33 0.502 5.021 -7.233 1.00 0.00 N ATOM 517 CA LYS A 33 -0.869 4.513 -7.264 1.00 0.00 C ATOM 518 C LYS A 33 -1.532 4.652 -5.897 1.00 0.00 C ATOM 519 O LYS A 33 -2.657 4.194 -5.681 1.00 0.00 O ATOM 520 CB LYS A 33 -0.890 3.051 -7.719 1.00 0.00 C ATOM 521 CG LYS A 33 -0.419 2.850 -9.153 1.00 0.00 C ATOM 522 CD LYS A 33 -1.270 3.644 -10.132 1.00 0.00 C ATOM 523 CE LYS A 33 -0.776 3.489 -11.563 1.00 0.00 C ATOM 524 NZ LYS A 33 -0.917 2.094 -12.066 1.00 0.00 N ATOM 0 H LYS A 33 1.193 4.345 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.434 5.109 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.259 2.463 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.904 2.664 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.623 3.157 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.462 1.791 -9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.306 3.311 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.256 4.698 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.334 4.164 -12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.271 3.787 -11.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.696 2.067 -13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.261 1.472 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.893 1.768 -11.916 1.00 0.00 H new ATOM 538 N VAL A 34 -0.824 5.286 -4.978 1.00 0.00 N ATOM 539 CA VAL A 34 -1.360 5.556 -3.657 1.00 0.00 C ATOM 540 C VAL A 34 -1.975 6.949 -3.636 1.00 0.00 C ATOM 541 O VAL A 34 -1.337 7.919 -4.046 1.00 0.00 O ATOM 542 CB VAL A 34 -0.271 5.452 -2.566 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.868 5.649 -1.181 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.447 4.114 -2.652 1.00 0.00 C ATOM 0 H VAL A 34 0.127 5.624 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.121 4.806 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 34 0.456 6.246 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.081 5.571 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.330 6.634 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.621 4.883 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.210 4.060 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.271 3.306 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.917 4.016 -3.630 1.00 0.00 H new ATOM 554 N ALA A 35 -3.211 7.045 -3.166 1.00 0.00 N ATOM 555 CA ALA A 35 -3.940 8.307 -3.165 1.00 0.00 C ATOM 556 C ALA A 35 -3.501 9.191 -2.005 1.00 0.00 C ATOM 557 O ALA A 35 -3.769 10.393 -1.986 1.00 0.00 O ATOM 558 CB ALA A 35 -5.438 8.054 -3.108 1.00 0.00 C ATOM 0 H ALA A 35 -3.733 6.259 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.711 8.832 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.968 9.006 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.742 7.470 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.680 7.504 -2.198 1.00 0.00 H new ATOM 564 N ASN A 36 -2.814 8.588 -1.042 1.00 0.00 N ATOM 565 CA ASN A 36 -2.290 9.322 0.107 1.00 0.00 C ATOM 566 C ASN A 36 -0.774 9.164 0.212 1.00 0.00 C ATOM 567 O ASN A 36 -0.285 8.580 1.176 1.00 0.00 O ATOM 568 CB ASN A 36 -2.918 8.820 1.409 1.00 0.00 C ATOM 569 CG ASN A 36 -4.365 9.223 1.613 1.00 0.00 C ATOM 570 OD1 ASN A 36 -5.118 9.426 0.663 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.765 9.321 2.871 1.00 0.00 N ATOM 0 H ASN A 36 -2.606 7.590 -1.033 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.541 10.372 -0.042 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.852 7.732 1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.330 9.193 2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.731 9.573 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.107 9.144 3.630 1.00 0.00 H new ATOM 578 N PRO A 37 0.000 9.685 -0.755 1.00 0.00 N ATOM 579 CA PRO A 37 1.460 9.528 -0.754 1.00 0.00 C ATOM 580 C PRO A 37 2.125 10.435 0.273 1.00 0.00 C ATOM 581 O PRO A 37 3.303 10.287 0.587 1.00 0.00 O ATOM 582 CB PRO A 37 1.856 9.929 -2.175 1.00 0.00 C ATOM 583 CG PRO A 37 0.804 10.895 -2.602 1.00 0.00 C ATOM 584 CD PRO A 37 -0.467 10.478 -1.910 1.00 0.00 C ATOM 0 HA PRO A 37 1.772 8.519 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.845 10.386 -2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.890 9.063 -2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.079 11.914 -2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.679 10.879 -3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.050 11.342 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.105 9.888 -2.568 1.00 0.00 H new ATOM 592 N ASP A 38 1.340 11.359 0.794 1.00 0.00 N ATOM 593 CA ASP A 38 1.803 12.308 1.793 1.00 0.00 C ATOM 594 C ASP A 38 1.721 11.703 3.191 1.00 0.00 C ATOM 595 O ASP A 38 2.364 12.173 4.129 1.00 0.00 O ATOM 596 CB ASP A 38 0.935 13.564 1.720 1.00 0.00 C ATOM 597 CG ASP A 38 1.421 14.682 2.616 1.00 0.00 C ATOM 598 OD1 ASP A 38 2.349 15.411 2.219 1.00 0.00 O ATOM 599 OD2 ASP A 38 0.857 14.857 3.713 1.00 0.00 O ATOM 0 H ASP A 38 0.360 11.474 0.537 1.00 0.00 H new ATOM 0 HA ASP A 38 2.844 12.560 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.909 13.919 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.088 13.306 1.995 1.00 0.00 H new ATOM 604 N LEU A 39 0.939 10.640 3.315 1.00 0.00 N ATOM 605 CA LEU A 39 0.631 10.064 4.610 1.00 0.00 C ATOM 606 C LEU A 39 1.131 8.631 4.721 1.00 0.00 C ATOM 607 O LEU A 39 0.768 7.912 5.650 1.00 0.00 O ATOM 608 CB LEU A 39 -0.877 10.107 4.827 1.00 0.00 C ATOM 609 CG LEU A 39 -1.481 11.504 4.976 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.992 11.419 5.131 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.866 12.234 6.162 1.00 0.00 C ATOM 0 H LEU A 39 0.505 10.159 2.527 1.00 0.00 H new ATOM 0 HA LEU A 39 1.139 10.649 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.362 9.608 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.115 9.530 5.721 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.257 12.070 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.404 12.423 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.422 10.940 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.234 10.833 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.310 13.226 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.056 11.670 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.209 12.330 6.012 1.00 0.00 H new ATOM 623 N ILE A 40 1.964 8.218 3.779 1.00 0.00 N ATOM 624 CA ILE A 40 2.496 6.863 3.778 1.00 0.00 C ATOM 625 C ILE A 40 3.580 6.694 4.843 1.00 0.00 C ATOM 626 O ILE A 40 4.454 7.552 4.997 1.00 0.00 O ATOM 627 CB ILE A 40 3.079 6.496 2.395 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.986 6.499 1.329 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.771 5.141 2.442 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.501 6.200 -0.065 1.00 0.00 C ATOM 0 H ILE A 40 2.286 8.800 3.006 1.00 0.00 H new ATOM 0 HA ILE A 40 1.667 6.193 4.006 1.00 0.00 H new ATOM 0 HB ILE A 40 3.820 7.251 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.229 5.761 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.495 7.472 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.174 4.904 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.583 5.172 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.052 4.375 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.671 6.218 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.237 6.952 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.966 5.214 -0.077 1.00 0.00 H new ATOM 642 N LYS A 41 3.505 5.594 5.582 1.00 0.00 N ATOM 643 CA LYS A 41 4.529 5.244 6.555 1.00 0.00 C ATOM 644 C LYS A 41 4.439 3.762 6.903 1.00 0.00 C ATOM 645 O LYS A 41 3.484 3.083 6.520 1.00 0.00 O ATOM 646 CB LYS A 41 4.411 6.106 7.816 1.00 0.00 C ATOM 647 CG LYS A 41 3.092 5.961 8.555 1.00 0.00 C ATOM 648 CD LYS A 41 2.955 7.005 9.650 1.00 0.00 C ATOM 649 CE LYS A 41 4.129 6.967 10.616 1.00 0.00 C ATOM 650 NZ LYS A 41 4.047 8.052 11.628 1.00 0.00 N ATOM 0 H LYS A 41 2.738 4.924 5.524 1.00 0.00 H new ATOM 0 HA LYS A 41 5.505 5.440 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.224 5.848 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.546 7.152 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.266 6.059 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.024 4.964 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.886 7.996 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.028 6.838 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.154 6.001 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.061 7.060 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.865 7.992 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.049 8.975 11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.170 7.949 12.177 1.00 0.00 H new ATOM 664 N LYS A 42 5.428 3.267 7.628 1.00 0.00 N ATOM 665 CA LYS A 42 5.522 1.844 7.929 1.00 0.00 C ATOM 666 C LYS A 42 4.497 1.446 8.991 1.00 0.00 C ATOM 667 O LYS A 42 4.275 2.179 9.956 1.00 0.00 O ATOM 668 CB LYS A 42 6.950 1.504 8.382 1.00 0.00 C ATOM 669 CG LYS A 42 7.262 0.014 8.469 1.00 0.00 C ATOM 670 CD LYS A 42 6.895 -0.570 9.827 1.00 0.00 C ATOM 671 CE LYS A 42 7.428 -1.985 9.995 1.00 0.00 C ATOM 672 NZ LYS A 42 6.815 -2.946 9.037 1.00 0.00 N ATOM 0 H LYS A 42 6.182 3.831 8.022 1.00 0.00 H new ATOM 0 HA LYS A 42 5.298 1.274 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.654 1.967 7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.121 1.953 9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.717 -0.516 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.324 -0.145 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.296 0.066 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.811 -0.574 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.509 -1.981 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.238 -2.322 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.148 -3.908 9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.779 -2.911 9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.088 -2.691 8.067 1.00 0.00 H new ATOM 686 N ASP A 43 3.860 0.294 8.774 1.00 0.00 N ATOM 687 CA ASP A 43 2.887 -0.283 9.712 1.00 0.00 C ATOM 688 C ASP A 43 1.597 0.538 9.752 1.00 0.00 C ATOM 689 O ASP A 43 0.750 0.355 10.624 1.00 0.00 O ATOM 690 CB ASP A 43 3.487 -0.417 11.119 1.00 0.00 C ATOM 691 CG ASP A 43 2.746 -1.428 11.975 1.00 0.00 C ATOM 692 OD1 ASP A 43 2.901 -2.643 11.729 1.00 0.00 O ATOM 693 OD2 ASP A 43 2.019 -1.020 12.903 1.00 0.00 O ATOM 0 H ASP A 43 4.004 -0.271 7.937 1.00 0.00 H new ATOM 0 HA ASP A 43 2.639 -1.281 9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.533 -0.713 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.468 0.555 11.612 1.00 0.00 H new ATOM 698 N ALA A 44 1.440 1.432 8.788 1.00 0.00 N ATOM 699 CA ALA A 44 0.222 2.215 8.677 1.00 0.00 C ATOM 700 C ALA A 44 -0.882 1.386 8.038 1.00 0.00 C ATOM 701 O ALA A 44 -0.620 0.563 7.155 1.00 0.00 O ATOM 702 CB ALA A 44 0.473 3.481 7.873 1.00 0.00 C ATOM 0 H ALA A 44 2.140 1.632 8.073 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.097 2.504 9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.451 4.055 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.235 4.082 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.815 3.215 6.873 1.00 0.00 H new ATOM 708 N ALA A 45 -2.108 1.588 8.496 1.00 0.00 N ATOM 709 CA ALA A 45 -3.246 0.882 7.941 1.00 0.00 C ATOM 710 C ALA A 45 -3.751 1.615 6.708 1.00 0.00 C ATOM 711 O ALA A 45 -3.796 2.844 6.688 1.00 0.00 O ATOM 712 CB ALA A 45 -4.351 0.746 8.978 1.00 0.00 C ATOM 0 H ALA A 45 -2.337 2.235 9.250 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.934 -0.122 7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.196 0.213 8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.977 0.190 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.673 1.737 9.299 1.00 0.00 H new ATOM 718 N VAL A 46 -4.103 0.871 5.675 1.00 0.00 N ATOM 719 CA VAL A 46 -4.571 1.469 4.434 1.00 0.00 C ATOM 720 C VAL A 46 -5.755 0.703 3.866 1.00 0.00 C ATOM 721 O VAL A 46 -6.024 -0.435 4.256 1.00 0.00 O ATOM 722 CB VAL A 46 -3.459 1.527 3.362 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.359 2.495 3.766 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.881 0.145 3.112 1.00 0.00 C ATOM 0 H VAL A 46 -4.074 -0.149 5.669 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.875 2.486 4.682 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.907 1.889 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.590 2.515 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.779 3.494 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.917 2.171 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.100 0.209 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.457 -0.245 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.670 -0.522 2.765 1.00 0.00 H new ATOM 734 N THR A 47 -6.460 1.344 2.954 1.00 0.00 N ATOM 735 CA THR A 47 -7.552 0.722 2.231 1.00 0.00 C ATOM 736 C THR A 47 -7.340 0.919 0.737 1.00 0.00 C ATOM 737 O THR A 47 -7.006 2.019 0.290 1.00 0.00 O ATOM 738 CB THR A 47 -8.912 1.308 2.655 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.812 2.733 2.785 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.380 0.706 3.970 1.00 0.00 C ATOM 0 H THR A 47 -6.291 2.315 2.693 1.00 0.00 H new ATOM 0 HA THR A 47 -7.563 -0.342 2.467 1.00 0.00 H new ATOM 0 HB THR A 47 -9.642 1.062 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.681 3.099 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.342 1.137 4.246 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.485 -0.373 3.859 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.649 0.922 4.749 1.00 0.00 H new ATOM 748 N PHE A 48 -7.519 -0.140 -0.033 1.00 0.00 N ATOM 749 CA PHE A 48 -7.215 -0.100 -1.454 1.00 0.00 C ATOM 750 C PHE A 48 -8.085 -1.076 -2.227 1.00 0.00 C ATOM 751 O PHE A 48 -8.814 -1.877 -1.640 1.00 0.00 O ATOM 752 CB PHE A 48 -5.736 -0.430 -1.684 1.00 0.00 C ATOM 753 CG PHE A 48 -5.271 -1.674 -0.977 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.503 -2.929 -1.520 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.604 -1.588 0.234 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.077 -4.070 -0.871 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.176 -2.727 0.886 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.413 -3.969 0.335 1.00 0.00 C ATOM 0 H PHE A 48 -7.873 -1.037 0.300 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.423 0.907 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.562 -0.546 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.130 0.413 -1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.024 -3.014 -2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.417 -0.619 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.263 -5.041 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.655 -2.645 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.080 -4.860 0.846 1.00 0.00 H new ATOM 768 N GLU A 49 -7.997 -1.004 -3.544 1.00 0.00 N ATOM 769 CA GLU A 49 -8.691 -1.942 -4.405 1.00 0.00 C ATOM 770 C GLU A 49 -7.668 -2.837 -5.096 1.00 0.00 C ATOM 771 O GLU A 49 -6.597 -2.371 -5.492 1.00 0.00 O ATOM 772 CB GLU A 49 -9.530 -1.177 -5.428 1.00 0.00 C ATOM 773 CG GLU A 49 -10.585 -0.289 -4.785 1.00 0.00 C ATOM 774 CD GLU A 49 -11.284 0.612 -5.776 1.00 0.00 C ATOM 775 OE1 GLU A 49 -12.157 0.125 -6.516 1.00 0.00 O ATOM 776 OE2 GLU A 49 -10.977 1.824 -5.804 1.00 0.00 O ATOM 0 H GLU A 49 -7.449 -0.302 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.361 -2.567 -3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.872 -0.563 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.018 -1.888 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.325 -0.916 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.116 0.323 -4.014 1.00 0.00 H new ATOM 783 N PRO A 50 -7.987 -4.126 -5.258 1.00 0.00 N ATOM 784 CA PRO A 50 -7.046 -5.114 -5.768 1.00 0.00 C ATOM 785 C PRO A 50 -7.050 -5.242 -7.289 1.00 0.00 C ATOM 786 O PRO A 50 -7.996 -4.831 -7.968 1.00 0.00 O ATOM 787 CB PRO A 50 -7.544 -6.403 -5.120 1.00 0.00 C ATOM 788 CG PRO A 50 -9.022 -6.225 -4.994 1.00 0.00 C ATOM 789 CD PRO A 50 -9.287 -4.736 -4.934 1.00 0.00 C ATOM 0 HA PRO A 50 -6.015 -4.849 -5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.302 -7.272 -5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.081 -6.560 -4.146 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.538 -6.674 -5.843 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.394 -6.719 -4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.056 -4.439 -5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.635 -4.433 -3.946 1.00 0.00 H new ATOM 797 N THR A 51 -5.967 -5.799 -7.809 1.00 0.00 N ATOM 798 CA THR A 51 -5.841 -6.108 -9.219 1.00 0.00 C ATOM 799 C THR A 51 -4.670 -7.064 -9.408 1.00 0.00 C ATOM 800 O THR A 51 -4.025 -7.474 -8.438 1.00 0.00 O ATOM 801 CB THR A 51 -5.629 -4.828 -10.068 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.726 -5.133 -11.467 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.275 -4.192 -9.782 1.00 0.00 C ATOM 0 H THR A 51 -5.146 -6.050 -7.257 1.00 0.00 H new ATOM 0 HA THR A 51 -6.766 -6.573 -9.560 1.00 0.00 H new ATOM 0 HB THR A 51 -6.411 -4.119 -9.795 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.592 -4.315 -11.990 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.157 -3.297 -10.393 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.215 -3.922 -8.728 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.482 -4.901 -10.021 1.00 0.00 H new ATOM 811 N THR A 52 -4.409 -7.439 -10.637 1.00 0.00 N ATOM 812 CA THR A 52 -3.263 -8.266 -10.935 1.00 0.00 C ATOM 813 C THR A 52 -2.530 -7.722 -12.146 1.00 0.00 C ATOM 814 O THR A 52 -3.133 -7.126 -13.041 1.00 0.00 O ATOM 815 CB THR A 52 -3.661 -9.726 -11.195 1.00 0.00 C ATOM 816 OG1 THR A 52 -4.674 -10.129 -10.262 1.00 0.00 O ATOM 817 CG2 THR A 52 -2.457 -10.650 -11.064 1.00 0.00 C ATOM 0 H THR A 52 -4.974 -7.185 -11.447 1.00 0.00 H new ATOM 0 HA THR A 52 -2.611 -8.244 -10.062 1.00 0.00 H new ATOM 0 HB THR A 52 -4.047 -9.797 -12.212 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.925 -11.061 -10.434 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.765 -11.678 -11.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.696 -10.361 -11.788 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.047 -10.573 -10.057 1.00 0.00 H new ATOM 825 N ASN A 53 -1.233 -7.914 -12.148 1.00 0.00 N ATOM 826 CA ASN A 53 -0.371 -7.469 -13.228 1.00 0.00 C ATOM 827 C ASN A 53 0.394 -8.664 -13.770 1.00 0.00 C ATOM 828 O ASN A 53 0.223 -9.782 -13.280 1.00 0.00 O ATOM 829 CB ASN A 53 0.605 -6.392 -12.736 1.00 0.00 C ATOM 830 CG ASN A 53 0.018 -4.990 -12.754 1.00 0.00 C ATOM 831 OD1 ASN A 53 0.728 -4.015 -12.988 1.00 0.00 O ATOM 832 ND2 ASN A 53 -1.280 -4.877 -12.528 1.00 0.00 N ATOM 0 H ASN A 53 -0.736 -8.388 -11.394 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.981 -7.032 -14.019 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.919 -6.633 -11.720 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.499 -6.411 -13.359 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.722 -3.958 -12.545 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.839 -5.709 -12.337 1.00 0.00 H new ATOM 839 N ASN A 54 1.235 -8.439 -14.766 1.00 0.00 N ATOM 840 CA ASN A 54 2.017 -9.523 -15.344 1.00 0.00 C ATOM 841 C ASN A 54 3.112 -9.950 -14.373 1.00 0.00 C ATOM 842 O ASN A 54 3.556 -11.101 -14.374 1.00 0.00 O ATOM 843 CB ASN A 54 2.637 -9.100 -16.674 1.00 0.00 C ATOM 844 CG ASN A 54 3.015 -10.292 -17.533 1.00 0.00 C ATOM 845 OD1 ASN A 54 2.337 -11.320 -17.517 1.00 0.00 O ATOM 846 ND2 ASN A 54 4.101 -10.174 -18.277 1.00 0.00 N ATOM 0 H ASN A 54 1.394 -7.525 -15.189 1.00 0.00 H new ATOM 0 HA ASN A 54 1.350 -10.365 -15.529 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.932 -8.471 -17.218 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.524 -8.495 -16.484 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.403 -10.951 -18.865 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.637 -9.306 -18.263 1.00 0.00 H new ATOM 853 N LYS A 55 3.548 -9.003 -13.545 1.00 0.00 N ATOM 854 CA LYS A 55 4.527 -9.281 -12.504 1.00 0.00 C ATOM 855 C LYS A 55 3.902 -10.049 -11.346 1.00 0.00 C ATOM 856 O LYS A 55 4.498 -10.995 -10.831 1.00 0.00 O ATOM 857 CB LYS A 55 5.151 -7.980 -11.993 1.00 0.00 C ATOM 858 CG LYS A 55 6.343 -7.519 -12.814 1.00 0.00 C ATOM 859 CD LYS A 55 7.443 -8.567 -12.800 1.00 0.00 C ATOM 860 CE LYS A 55 8.647 -8.146 -13.622 1.00 0.00 C ATOM 861 NZ LYS A 55 9.691 -9.203 -13.637 1.00 0.00 N ATOM 0 H LYS A 55 3.235 -8.033 -13.578 1.00 0.00 H new ATOM 0 HA LYS A 55 5.308 -9.902 -12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.393 -7.197 -11.995 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.464 -8.118 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.031 -7.326 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.724 -6.579 -12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.754 -8.751 -11.772 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.051 -9.507 -13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.334 -7.928 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.065 -7.226 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.500 -8.884 -14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.006 -9.393 -12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.298 -10.073 -14.050 1.00 0.00 H new ATOM 875 N GLY A 56 2.708 -9.651 -10.940 1.00 0.00 N ATOM 876 CA GLY A 56 2.048 -10.328 -9.847 1.00 0.00 C ATOM 877 C GLY A 56 0.876 -9.546 -9.303 1.00 0.00 C ATOM 878 O GLY A 56 0.269 -8.751 -10.019 1.00 0.00 O ATOM 0 H GLY A 56 2.186 -8.874 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.703 -11.305 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.766 -10.503 -9.046 1.00 0.00 H new ATOM 882 N LEU A 57 0.563 -9.772 -8.037 1.00 0.00 N ATOM 883 CA LEU A 57 -0.552 -9.109 -7.386 1.00 0.00 C ATOM 884 C LEU A 57 -0.220 -7.650 -7.100 1.00 0.00 C ATOM 885 O LEU A 57 0.868 -7.333 -6.616 1.00 0.00 O ATOM 886 CB LEU A 57 -0.893 -9.842 -6.089 1.00 0.00 C ATOM 887 CG LEU A 57 -1.248 -11.323 -6.261 1.00 0.00 C ATOM 888 CD1 LEU A 57 -1.374 -12.005 -4.908 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.538 -11.478 -7.056 1.00 0.00 C ATOM 0 H LEU A 57 1.074 -10.418 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.415 -9.133 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.044 -9.763 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.732 -9.335 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.442 -11.803 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.626 -13.056 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.427 -11.929 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.159 -11.520 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.772 -12.537 -7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.352 -10.980 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.414 -11.029 -8.041 1.00 0.00 H new ATOM 901 N SER A 58 -1.154 -6.766 -7.406 1.00 0.00 N ATOM 902 CA SER A 58 -0.960 -5.343 -7.216 1.00 0.00 C ATOM 903 C SER A 58 -2.268 -4.694 -6.772 1.00 0.00 C ATOM 904 O SER A 58 -3.322 -5.330 -6.817 1.00 0.00 O ATOM 905 CB SER A 58 -0.472 -4.709 -8.517 1.00 0.00 C ATOM 906 OG SER A 58 0.565 -5.480 -9.101 1.00 0.00 O ATOM 0 H SER A 58 -2.065 -7.016 -7.792 1.00 0.00 H new ATOM 0 HA SER A 58 -0.209 -5.184 -6.442 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.303 -4.621 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.113 -3.699 -8.321 1.00 0.00 H new ATOM 0 HG SER A 58 0.860 -5.055 -9.933 1.00 0.00 H new ATOM 912 N ALA A 59 -2.200 -3.454 -6.322 1.00 0.00 N ATOM 913 CA ALA A 59 -3.392 -2.740 -5.891 1.00 0.00 C ATOM 914 C ALA A 59 -3.298 -1.262 -6.243 1.00 0.00 C ATOM 915 O ALA A 59 -2.207 -0.742 -6.481 1.00 0.00 O ATOM 916 CB ALA A 59 -3.613 -2.922 -4.401 1.00 0.00 C ATOM 0 H ALA A 59 -1.334 -2.920 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.248 -3.159 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.509 -2.381 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.736 -3.982 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.753 -2.534 -3.856 1.00 0.00 H new ATOM 922 N TYR A 60 -4.440 -0.591 -6.267 1.00 0.00 N ATOM 923 CA TYR A 60 -4.502 0.815 -6.638 1.00 0.00 C ATOM 924 C TYR A 60 -5.501 1.560 -5.771 1.00 0.00 C ATOM 925 O TYR A 60 -6.206 0.949 -4.961 1.00 0.00 O ATOM 926 CB TYR A 60 -4.887 0.967 -8.112 1.00 0.00 C ATOM 927 CG TYR A 60 -6.109 0.164 -8.511 1.00 0.00 C ATOM 928 CD1 TYR A 60 -7.388 0.695 -8.397 1.00 0.00 C ATOM 929 CD2 TYR A 60 -5.980 -1.132 -8.992 1.00 0.00 C ATOM 930 CE1 TYR A 60 -8.501 -0.044 -8.752 1.00 0.00 C ATOM 931 CE2 TYR A 60 -7.087 -1.876 -9.348 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.344 -1.331 -9.226 1.00 0.00 C ATOM 933 OH TYR A 60 -9.447 -2.074 -9.580 1.00 0.00 O ATOM 0 H TYR A 60 -5.343 -1.002 -6.032 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.512 1.244 -6.482 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.071 2.020 -8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.044 0.660 -8.731 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.515 1.701 -8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.996 -1.566 -9.089 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.488 0.383 -8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.967 -2.882 -9.721 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.160 -2.957 -9.894 1.00 0.00 H new ATOM 943 N ALA A 61 -5.560 2.878 -5.968 1.00 0.00 N ATOM 944 CA ALA A 61 -6.466 3.748 -5.219 1.00 0.00 C ATOM 945 C ALA A 61 -6.302 3.533 -3.718 1.00 0.00 C ATOM 946 O ALA A 61 -7.279 3.367 -2.986 1.00 0.00 O ATOM 947 CB ALA A 61 -7.907 3.508 -5.649 1.00 0.00 C ATOM 0 H ALA A 61 -4.983 3.371 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.212 4.785 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.569 4.163 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.009 3.721 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.175 2.469 -5.459 1.00 0.00 H new ATOM 953 N VAL A 62 -5.054 3.549 -3.275 1.00 0.00 N ATOM 954 CA VAL A 62 -4.721 3.261 -1.889 1.00 0.00 C ATOM 955 C VAL A 62 -4.877 4.497 -1.014 1.00 0.00 C ATOM 956 O VAL A 62 -4.126 5.464 -1.153 1.00 0.00 O ATOM 957 CB VAL A 62 -3.274 2.745 -1.769 1.00 0.00 C ATOM 958 CG1 VAL A 62 -3.009 2.198 -0.375 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.990 1.696 -2.829 1.00 0.00 C ATOM 0 H VAL A 62 -4.248 3.761 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.413 2.492 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.597 3.583 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.981 1.840 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.162 2.987 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.693 1.374 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.963 1.345 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.675 0.857 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.128 2.132 -3.818 1.00 0.00 H new ATOM 969 N LYS A 63 -5.858 4.473 -0.128 1.00 0.00 N ATOM 970 CA LYS A 63 -6.046 5.551 0.822 1.00 0.00 C ATOM 971 C LYS A 63 -5.561 5.125 2.198 1.00 0.00 C ATOM 972 O LYS A 63 -5.956 4.076 2.710 1.00 0.00 O ATOM 973 CB LYS A 63 -7.513 5.985 0.897 1.00 0.00 C ATOM 974 CG LYS A 63 -7.949 6.906 -0.239 1.00 0.00 C ATOM 975 CD LYS A 63 -8.157 6.147 -1.539 1.00 0.00 C ATOM 976 CE LYS A 63 -9.393 5.265 -1.485 1.00 0.00 C ATOM 977 NZ LYS A 63 -10.635 6.068 -1.374 1.00 0.00 N ATOM 0 H LYS A 63 -6.537 3.716 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.460 6.404 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.144 5.096 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.683 6.492 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.875 7.411 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.196 7.680 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.251 6.855 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.281 5.533 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.438 4.647 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.320 4.588 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.452 5.483 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.750 6.395 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.575 6.890 -2.008 1.00 0.00 H new ATOM 991 N VAL A 64 -4.689 5.932 2.776 1.00 0.00 N ATOM 992 CA VAL A 64 -4.157 5.673 4.106 1.00 0.00 C ATOM 993 C VAL A 64 -5.240 5.881 5.157 1.00 0.00 C ATOM 994 O VAL A 64 -6.095 6.759 5.008 1.00 0.00 O ATOM 995 CB VAL A 64 -2.951 6.597 4.405 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.460 6.436 5.839 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.816 6.316 3.431 1.00 0.00 C ATOM 0 H VAL A 64 -4.330 6.782 2.341 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.819 4.637 4.141 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.287 7.627 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.613 7.101 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.265 6.688 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.150 5.404 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.975 6.973 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.501 5.277 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.158 6.496 2.412 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.213 5.063 6.200 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.169 5.168 7.292 1.00 0.00 C ATOM 1009 C VAL A 65 -5.481 5.659 8.570 1.00 0.00 C ATOM 1010 O VAL A 65 -5.018 4.860 9.386 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.866 3.816 7.564 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.834 3.919 8.734 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.586 3.324 6.317 1.00 0.00 C ATOM 0 H VAL A 65 -4.532 4.312 6.312 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.926 5.892 6.992 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.096 3.091 7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.308 2.952 8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.290 4.215 9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.598 4.664 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.070 2.371 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.338 4.055 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.866 3.194 5.509 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.347 6.983 8.729 1.00 0.00 N ATOM 1024 CA PRO A 66 -4.825 7.586 9.941 1.00 0.00 C ATOM 1025 C PRO A 66 -5.939 7.923 10.929 1.00 0.00 C ATOM 1026 O PRO A 66 -6.984 8.455 10.547 1.00 0.00 O ATOM 1027 CB PRO A 66 -4.151 8.872 9.433 1.00 0.00 C ATOM 1028 CG PRO A 66 -4.598 9.047 8.008 1.00 0.00 C ATOM 1029 CD PRO A 66 -5.653 8.006 7.737 1.00 0.00 C ATOM 0 HA PRO A 66 -4.149 6.921 10.479 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.442 9.729 10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.066 8.792 9.493 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.998 10.049 7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.757 8.929 7.324 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.659 8.405 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.589 7.618 6.720 1.00 0.00 H new ATOM 1037 N LEU A 67 -5.705 7.627 12.199 1.00 0.00 N ATOM 1038 CA LEU A 67 -6.697 7.878 13.239 1.00 0.00 C ATOM 1039 C LEU A 67 -6.590 9.312 13.752 1.00 0.00 C ATOM 1040 O LEU A 67 -7.096 9.647 14.826 1.00 0.00 O ATOM 1041 CB LEU A 67 -6.508 6.895 14.393 1.00 0.00 C ATOM 1042 CG LEU A 67 -6.601 5.418 14.006 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -6.295 4.539 15.205 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -7.979 5.093 13.446 1.00 0.00 C ATOM 0 H LEU A 67 -4.836 7.212 12.536 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.689 7.738 12.809 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.534 7.075 14.848 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.259 7.103 15.155 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.862 5.219 13.230 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.365 3.491 14.915 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.287 4.750 15.563 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.013 4.744 15.999 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.023 4.038 13.177 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.738 5.308 14.199 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.164 5.701 12.560 1.00 0.00 H new ATOM 1056 N GLU A 68 -5.928 10.154 12.975 1.00 0.00 N ATOM 1057 CA GLU A 68 -5.765 11.550 13.329 1.00 0.00 C ATOM 1058 C GLU A 68 -6.714 12.411 12.506 1.00 0.00 C ATOM 1059 O GLU A 68 -7.676 12.969 13.031 1.00 0.00 O ATOM 1060 CB GLU A 68 -4.318 11.988 13.093 1.00 0.00 C ATOM 1061 CG GLU A 68 -4.013 13.366 13.645 1.00 0.00 C ATOM 1062 CD GLU A 68 -4.238 13.438 15.137 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -5.369 13.761 15.560 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -3.288 13.168 15.895 1.00 0.00 O ATOM 0 H GLU A 68 -5.493 9.890 12.091 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.001 11.676 14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.646 11.263 13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.113 11.979 12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.978 13.626 13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.642 14.104 13.147 1.00 0.00 H new ATOM 1071 N HIS A 69 -6.428 12.498 11.211 1.00 0.00 N ATOM 1072 CA HIS A 69 -7.249 13.243 10.259 1.00 0.00 C ATOM 1073 C HIS A 69 -7.278 14.738 10.579 1.00 0.00 C ATOM 1074 O HIS A 69 -8.187 15.233 11.245 1.00 0.00 O ATOM 1075 CB HIS A 69 -8.671 12.677 10.189 1.00 0.00 C ATOM 1076 CG HIS A 69 -9.512 13.329 9.136 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -10.724 13.920 9.406 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -9.304 13.493 7.807 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -11.223 14.420 8.296 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -10.384 14.177 7.311 1.00 0.00 N ATOM 0 H HIS A 69 -5.615 12.051 10.788 1.00 0.00 H new ATOM 0 HA HIS A 69 -6.786 13.125 9.279 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -8.620 11.606 9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.153 12.801 11.159 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.449 13.150 7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -12.164 14.943 8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -10.516 14.453 6.338 1.00 0.00 H new ATOM 1089 N HIS A 70 -6.253 15.437 10.119 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.198 16.894 10.196 1.00 0.00 C ATOM 1091 C HIS A 70 -5.604 17.438 8.906 1.00 0.00 C ATOM 1092 O HIS A 70 -6.313 18.013 8.077 1.00 0.00 O ATOM 1093 CB HIS A 70 -5.358 17.366 11.393 1.00 0.00 C ATOM 1094 CG HIS A 70 -6.074 17.312 12.712 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -6.656 18.416 13.294 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -6.297 16.284 13.562 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -7.206 18.069 14.441 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -7.003 16.782 14.628 1.00 0.00 N ATOM 0 H HIS A 70 -5.435 15.014 9.681 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.212 17.269 10.334 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.459 16.752 11.456 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.032 18.390 11.212 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.978 15.261 13.427 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.734 18.729 15.113 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.319 16.243 15.434 1.00 0.00 H new ATOM 1107 N HIS A 71 -4.299 17.217 8.752 1.00 0.00 N ATOM 1108 CA HIS A 71 -3.542 17.608 7.562 1.00 0.00 C ATOM 1109 C HIS A 71 -3.512 19.126 7.383 1.00 0.00 C ATOM 1110 O HIS A 71 -4.490 19.738 6.958 1.00 0.00 O ATOM 1111 CB HIS A 71 -4.095 16.938 6.301 1.00 0.00 C ATOM 1112 CG HIS A 71 -3.061 16.770 5.231 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -2.930 17.612 4.148 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -2.091 15.838 5.097 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -1.923 17.203 3.396 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -1.396 16.128 3.953 1.00 0.00 N ATOM 0 H HIS A 71 -3.729 16.755 9.460 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.519 17.265 7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -4.502 15.961 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.921 17.533 5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.899 15.015 5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.588 17.669 2.481 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.602 15.600 3.591 1.00 0.00 H new ATOM 1125 N HIS A 72 -2.374 19.722 7.698 1.00 0.00 N ATOM 1126 CA HIS A 72 -2.197 21.162 7.540 1.00 0.00 C ATOM 1127 C HIS A 72 -2.025 21.522 6.072 1.00 0.00 C ATOM 1128 O HIS A 72 -1.711 20.667 5.245 1.00 0.00 O ATOM 1129 CB HIS A 72 -0.983 21.653 8.333 1.00 0.00 C ATOM 1130 CG HIS A 72 -1.157 21.580 9.816 1.00 0.00 C ATOM 1131 ND1 HIS A 72 -0.375 20.787 10.627 1.00 0.00 N ATOM 1132 CD2 HIS A 72 -2.021 22.217 10.637 1.00 0.00 C ATOM 1133 CE1 HIS A 72 -0.754 20.938 11.881 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -1.752 21.801 11.915 1.00 0.00 N ATOM 0 H HIS A 72 -1.557 19.234 8.065 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.091 21.651 7.926 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.113 21.061 8.050 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.771 22.685 8.052 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.783 22.923 10.341 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.321 20.440 12.736 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.243 22.108 12.755 1.00 0.00 H new ATOM 1143 N HIS A 73 -2.247 22.785 5.754 1.00 0.00 N ATOM 1144 CA HIS A 73 -2.035 23.282 4.403 1.00 0.00 C ATOM 1145 C HIS A 73 -1.276 24.596 4.453 1.00 0.00 C ATOM 1146 O HIS A 73 -1.352 25.324 5.445 1.00 0.00 O ATOM 1147 CB HIS A 73 -3.367 23.484 3.657 1.00 0.00 C ATOM 1148 CG HIS A 73 -4.251 24.549 4.242 1.00 0.00 C ATOM 1149 ND1 HIS A 73 -4.048 25.902 4.040 1.00 0.00 N ATOM 1150 CD2 HIS A 73 -5.346 24.452 5.032 1.00 0.00 C ATOM 1151 CE1 HIS A 73 -4.980 26.583 4.680 1.00 0.00 C ATOM 1152 NE2 HIS A 73 -5.778 25.729 5.289 1.00 0.00 N ATOM 0 H HIS A 73 -2.575 23.489 6.415 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.454 22.537 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.153 23.737 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.912 22.540 3.650 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.296 26.309 3.484 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.796 23.539 5.393 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.073 27.659 4.701 1.00 0.00 H new ATOM 1161 N HIS A 74 -0.547 24.893 3.395 1.00 0.00 N ATOM 1162 CA HIS A 74 0.101 26.183 3.277 1.00 0.00 C ATOM 1163 C HIS A 74 -0.803 27.109 2.479 1.00 0.00 C ATOM 1164 O HIS A 74 -1.838 27.540 3.028 1.00 0.00 O ATOM 1165 CB HIS A 74 1.468 26.045 2.598 1.00 0.00 C ATOM 1166 CG HIS A 74 2.337 27.261 2.736 1.00 0.00 C ATOM 1167 ND1 HIS A 74 3.486 27.278 3.496 1.00 0.00 N ATOM 1168 CD2 HIS A 74 2.222 28.505 2.208 1.00 0.00 C ATOM 1169 CE1 HIS A 74 4.038 28.478 3.431 1.00 0.00 C ATOM 1170 NE2 HIS A 74 3.291 29.238 2.655 1.00 0.00 N ATOM 1171 OXT HIS A 74 -0.494 27.378 1.303 1.00 0.00 O ATOM 0 H HIS A 74 -0.389 24.262 2.609 1.00 0.00 H new ATOM 0 HA HIS A 74 0.269 26.599 4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.989 25.187 3.022 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.318 25.835 1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.434 28.854 1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.946 28.783 3.929 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.478 30.214 2.424 1.00 0.00 H new TER 1180 HIS A 74