USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 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 Set 1.1: A 73 HIS : no HD1:sc= -0.0549 X(o=-0.11,f=-0.077) USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.0564 X(o=-0.11,f=-0.077) USER MOD Set 2.1: A 8 THR OG1 : rot 178:sc= 0 USER MOD Set 2.2: A 26 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.013 (180deg=-0.348) USER MOD Single : A 3 MET CE :methyl -154:sc= -0.238 (180deg=-1.03) USER MOD Single : A 4 ASN : amide:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0.733) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0.628 (180deg=0.575) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 28 TYR OH : rot -12:sc= 0.681 USER MOD Single : A 30 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-8.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.62! C(o=-1.6!,f=-11!) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -0.0854 (180deg=-0.377) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0542 (180deg=-0.312) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 176:sc= 0.0936 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.257 F(o=-1.3,f=-0.26) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 177:sc= -0.844 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.070 -4.193 -3.177 1.00 0.00 N ATOM 2 CA MET A 1 -15.017 -3.248 -3.608 1.00 0.00 C ATOM 3 C MET A 1 -14.334 -2.652 -2.389 1.00 0.00 C ATOM 4 O MET A 1 -14.898 -2.675 -1.293 1.00 0.00 O ATOM 5 CB MET A 1 -15.620 -2.131 -4.466 1.00 0.00 C ATOM 6 CG MET A 1 -16.299 -2.631 -5.731 1.00 0.00 C ATOM 7 SD MET A 1 -17.110 -1.315 -6.659 1.00 0.00 S ATOM 8 CE MET A 1 -17.854 -2.255 -7.993 1.00 0.00 C ATOM 0 H1 MET A 1 -15.978 -5.082 -3.709 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.968 -4.386 -2.160 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.006 -3.776 -3.358 1.00 0.00 H new ATOM 0 HA MET A 1 -14.283 -3.788 -4.206 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.345 -1.578 -3.869 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.832 -1.430 -4.740 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.558 -3.115 -6.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.036 -3.389 -5.466 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.394 -1.580 -8.657 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.074 -2.769 -8.555 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.546 -2.988 -7.579 1.00 0.00 H new ATOM 20 N ALA A 2 -13.130 -2.113 -2.595 1.00 0.00 N ATOM 21 CA ALA A 2 -12.306 -1.556 -1.523 1.00 0.00 C ATOM 22 C ALA A 2 -11.881 -2.628 -0.526 1.00 0.00 C ATOM 23 O ALA A 2 -12.706 -3.207 0.180 1.00 0.00 O ATOM 24 CB ALA A 2 -13.024 -0.412 -0.814 1.00 0.00 C ATOM 0 H ALA A 2 -12.698 -2.051 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.403 -1.156 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.387 -0.018 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.244 0.379 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.955 -0.779 -0.382 1.00 0.00 H new ATOM 30 N MET A 3 -10.590 -2.890 -0.475 1.00 0.00 N ATOM 31 CA MET A 3 -10.041 -3.831 0.485 1.00 0.00 C ATOM 32 C MET A 3 -9.128 -3.087 1.439 1.00 0.00 C ATOM 33 O MET A 3 -8.774 -1.935 1.190 1.00 0.00 O ATOM 34 CB MET A 3 -9.272 -4.944 -0.226 1.00 0.00 C ATOM 35 CG MET A 3 -9.087 -6.204 0.607 1.00 0.00 C ATOM 36 SD MET A 3 -8.357 -7.556 -0.341 1.00 0.00 S ATOM 37 CE MET A 3 -9.597 -7.789 -1.611 1.00 0.00 C ATOM 0 H MET A 3 -9.897 -2.463 -1.090 1.00 0.00 H new ATOM 0 HA MET A 3 -10.857 -4.292 1.042 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.797 -5.203 -1.145 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.291 -4.566 -0.515 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.451 -5.980 1.463 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.053 -6.520 1.001 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.557 -8.816 -1.974 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.585 -7.589 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.405 -7.104 -2.437 1.00 0.00 H new ATOM 47 N ASN A 4 -8.745 -3.742 2.514 1.00 0.00 N ATOM 48 CA ASN A 4 -7.961 -3.109 3.553 1.00 0.00 C ATOM 49 C ASN A 4 -6.717 -3.923 3.875 1.00 0.00 C ATOM 50 O ASN A 4 -6.755 -5.151 3.913 1.00 0.00 O ATOM 51 CB ASN A 4 -8.802 -2.925 4.816 1.00 0.00 C ATOM 52 CG ASN A 4 -9.267 -4.238 5.427 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.505 -5.225 4.729 1.00 0.00 O ATOM 54 ND2 ASN A 4 -9.420 -4.252 6.740 1.00 0.00 N ATOM 0 H ASN A 4 -8.966 -4.722 2.692 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.647 -2.132 3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.219 -2.375 5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.673 -2.315 4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.745 -5.099 7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.213 -3.416 7.286 1.00 0.00 H new ATOM 61 N GLY A 5 -5.622 -3.227 4.116 1.00 0.00 N ATOM 62 CA GLY A 5 -4.373 -3.892 4.426 1.00 0.00 C ATOM 63 C GLY A 5 -3.543 -3.121 5.427 1.00 0.00 C ATOM 64 O GLY A 5 -3.932 -2.034 5.855 1.00 0.00 O ATOM 0 H GLY A 5 -5.573 -2.208 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.582 -4.886 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.799 -4.027 3.509 1.00 0.00 H new ATOM 68 N THR A 6 -2.402 -3.681 5.803 1.00 0.00 N ATOM 69 CA THR A 6 -1.503 -3.028 6.738 1.00 0.00 C ATOM 70 C THR A 6 -0.124 -2.860 6.109 1.00 0.00 C ATOM 71 O THR A 6 0.406 -3.787 5.493 1.00 0.00 O ATOM 72 CB THR A 6 -1.362 -3.832 8.040 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.652 -4.275 8.480 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.713 -2.993 9.132 1.00 0.00 C ATOM 0 H THR A 6 -2.078 -4.590 5.472 1.00 0.00 H new ATOM 0 HA THR A 6 -1.929 -2.053 6.974 1.00 0.00 H new ATOM 0 HB THR A 6 -0.725 -4.694 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.556 -4.788 9.309 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.625 -3.586 10.042 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.279 -2.677 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.327 -2.114 9.329 1.00 0.00 H new ATOM 82 N ILE A 7 0.445 -1.682 6.276 1.00 0.00 N ATOM 83 CA ILE A 7 1.726 -1.352 5.669 1.00 0.00 C ATOM 84 C ILE A 7 2.866 -2.052 6.398 1.00 0.00 C ATOM 85 O ILE A 7 3.035 -1.884 7.610 1.00 0.00 O ATOM 86 CB ILE A 7 1.975 0.170 5.681 1.00 0.00 C ATOM 87 CG1 ILE A 7 0.796 0.901 5.034 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.275 0.505 4.955 1.00 0.00 C ATOM 89 CD1 ILE A 7 0.909 2.408 5.084 1.00 0.00 C ATOM 0 H ILE A 7 0.038 -0.929 6.832 1.00 0.00 H new ATOM 0 HA ILE A 7 1.692 -1.696 4.635 1.00 0.00 H new ATOM 0 HB ILE A 7 2.066 0.501 6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.713 0.587 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.125 0.598 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.435 1.583 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.108 0.006 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.212 0.165 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.037 2.854 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.961 2.735 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.811 2.723 4.559 1.00 0.00 H new ATOM 101 N THR A 8 3.641 -2.839 5.663 1.00 0.00 N ATOM 102 CA THR A 8 4.745 -3.573 6.245 1.00 0.00 C ATOM 103 C THR A 8 6.078 -3.073 5.701 1.00 0.00 C ATOM 104 O THR A 8 6.941 -2.622 6.455 1.00 0.00 O ATOM 105 CB THR A 8 4.600 -5.081 5.968 1.00 0.00 C ATOM 106 OG1 THR A 8 4.174 -5.290 4.616 1.00 0.00 O ATOM 107 CG2 THR A 8 3.607 -5.719 6.927 1.00 0.00 C ATOM 0 H THR A 8 3.521 -2.982 4.660 1.00 0.00 H new ATOM 0 HA THR A 8 4.724 -3.408 7.322 1.00 0.00 H new ATOM 0 HB THR A 8 5.572 -5.551 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.122 -6.252 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.524 -6.784 6.709 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.953 -5.584 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.632 -5.247 6.808 1.00 0.00 H new ATOM 115 N THR A 9 6.231 -3.137 4.390 1.00 0.00 N ATOM 116 CA THR A 9 7.459 -2.718 3.738 1.00 0.00 C ATOM 117 C THR A 9 7.194 -1.503 2.852 1.00 0.00 C ATOM 118 O THR A 9 6.257 -1.506 2.057 1.00 0.00 O ATOM 119 CB THR A 9 8.033 -3.869 2.885 1.00 0.00 C ATOM 120 OG1 THR A 9 8.067 -5.078 3.661 1.00 0.00 O ATOM 121 CG2 THR A 9 9.435 -3.541 2.392 1.00 0.00 C ATOM 0 H THR A 9 5.513 -3.478 3.751 1.00 0.00 H new ATOM 0 HA THR A 9 8.185 -2.450 4.505 1.00 0.00 H new ATOM 0 HB THR A 9 7.387 -4.004 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.430 -5.807 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.814 -4.370 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.404 -2.638 1.782 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.093 -3.380 3.246 1.00 0.00 H new ATOM 129 N TRP A 10 7.999 -0.462 3.000 1.00 0.00 N ATOM 130 CA TRP A 10 7.808 0.750 2.219 1.00 0.00 C ATOM 131 C TRP A 10 9.116 1.509 2.029 1.00 0.00 C ATOM 132 O TRP A 10 9.850 1.760 2.987 1.00 0.00 O ATOM 133 CB TRP A 10 6.765 1.659 2.879 1.00 0.00 C ATOM 134 CG TRP A 10 6.544 2.946 2.141 1.00 0.00 C ATOM 135 CD1 TRP A 10 6.947 4.192 2.529 1.00 0.00 C ATOM 136 CD2 TRP A 10 5.881 3.113 0.880 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.569 5.123 1.593 1.00 0.00 N ATOM 138 CE2 TRP A 10 5.914 4.486 0.571 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.262 2.235 -0.016 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.354 5.001 -0.594 1.00 0.00 C ATOM 141 CZ3 TRP A 10 4.705 2.749 -1.173 1.00 0.00 C ATOM 142 CH2 TRP A 10 4.755 4.122 -1.452 1.00 0.00 C ATOM 0 H TRP A 10 8.785 -0.432 3.649 1.00 0.00 H new ATOM 0 HA TRP A 10 7.447 0.449 1.235 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.819 1.122 2.950 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.082 1.883 3.898 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.485 4.413 3.439 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.747 6.126 1.649 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.220 1.176 0.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.391 6.058 -0.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.224 2.082 -1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.311 4.493 -2.364 1.00 0.00 H new ATOM 153 N PHE A 11 9.398 1.864 0.785 1.00 0.00 N ATOM 154 CA PHE A 11 10.547 2.685 0.460 1.00 0.00 C ATOM 155 C PHE A 11 10.080 3.913 -0.311 1.00 0.00 C ATOM 156 O PHE A 11 9.867 3.850 -1.522 1.00 0.00 O ATOM 157 CB PHE A 11 11.564 1.895 -0.368 1.00 0.00 C ATOM 158 CG PHE A 11 12.079 0.662 0.319 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.038 0.757 1.313 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.603 -0.592 -0.030 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.513 -0.373 1.947 1.00 0.00 C ATOM 162 CE2 PHE A 11 12.074 -1.727 0.599 1.00 0.00 C ATOM 163 CZ PHE A 11 13.031 -1.617 1.589 1.00 0.00 C ATOM 0 H PHE A 11 8.838 1.591 -0.022 1.00 0.00 H new ATOM 0 HA PHE A 11 11.036 2.995 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.104 1.607 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.406 2.544 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.419 1.727 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.855 -0.682 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.260 -0.285 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.695 -2.699 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.402 -2.503 2.083 1.00 0.00 H new ATOM 173 N LYS A 12 9.916 5.019 0.403 1.00 0.00 N ATOM 174 CA LYS A 12 9.338 6.235 -0.165 1.00 0.00 C ATOM 175 C LYS A 12 10.177 6.762 -1.322 1.00 0.00 C ATOM 176 O LYS A 12 9.642 7.169 -2.353 1.00 0.00 O ATOM 177 CB LYS A 12 9.215 7.311 0.918 1.00 0.00 C ATOM 178 CG LYS A 12 8.408 8.526 0.487 1.00 0.00 C ATOM 179 CD LYS A 12 8.429 9.609 1.553 1.00 0.00 C ATOM 180 CE LYS A 12 7.547 10.787 1.171 1.00 0.00 C ATOM 181 NZ LYS A 12 7.611 11.875 2.184 1.00 0.00 N ATOM 0 H LYS A 12 10.177 5.101 1.386 1.00 0.00 H new ATOM 0 HA LYS A 12 8.348 5.988 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.751 6.873 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.214 7.635 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.812 8.922 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.378 8.229 0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.091 9.193 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.452 9.953 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.858 11.175 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.516 10.450 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.738 12.439 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.711 11.461 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.429 12.486 1.986 1.00 0.00 H new ATOM 195 N ASP A 13 11.491 6.743 -1.144 1.00 0.00 N ATOM 196 CA ASP A 13 12.408 7.260 -2.153 1.00 0.00 C ATOM 197 C ASP A 13 12.429 6.355 -3.378 1.00 0.00 C ATOM 198 O ASP A 13 12.390 6.828 -4.515 1.00 0.00 O ATOM 199 CB ASP A 13 13.820 7.393 -1.579 1.00 0.00 C ATOM 200 CG ASP A 13 14.763 8.110 -2.526 1.00 0.00 C ATOM 201 OD1 ASP A 13 15.333 7.453 -3.418 1.00 0.00 O ATOM 202 OD2 ASP A 13 14.939 9.339 -2.377 1.00 0.00 O ATOM 0 H ASP A 13 11.947 6.375 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 13 12.056 8.247 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 13 13.776 7.935 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.215 6.401 -1.359 1.00 0.00 H new ATOM 207 N LYS A 14 12.474 5.052 -3.136 1.00 0.00 N ATOM 208 CA LYS A 14 12.494 4.072 -4.213 1.00 0.00 C ATOM 209 C LYS A 14 11.173 4.081 -4.977 1.00 0.00 C ATOM 210 O LYS A 14 11.149 3.968 -6.201 1.00 0.00 O ATOM 211 CB LYS A 14 12.758 2.675 -3.645 1.00 0.00 C ATOM 212 CG LYS A 14 14.117 2.514 -2.978 1.00 0.00 C ATOM 213 CD LYS A 14 15.195 2.067 -3.958 1.00 0.00 C ATOM 214 CE LYS A 14 15.509 3.128 -5.001 1.00 0.00 C ATOM 215 NZ LYS A 14 16.598 2.695 -5.917 1.00 0.00 N ATOM 0 H LYS A 14 12.497 4.648 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 14 13.295 4.337 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.980 2.438 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.674 1.946 -4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.411 3.461 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.039 1.786 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.104 1.823 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.871 1.155 -4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.612 3.346 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.799 4.053 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.784 3.444 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.462 2.512 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.311 1.826 -6.411 1.00 0.00 H new ATOM 229 N GLY A 15 10.077 4.218 -4.245 1.00 0.00 N ATOM 230 CA GLY A 15 8.769 4.237 -4.863 1.00 0.00 C ATOM 231 C GLY A 15 8.071 2.899 -4.758 1.00 0.00 C ATOM 232 O GLY A 15 6.911 2.760 -5.160 1.00 0.00 O ATOM 0 H GLY A 15 10.072 4.317 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.156 5.004 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.868 4.512 -5.913 1.00 0.00 H new ATOM 236 N PHE A 16 8.778 1.920 -4.206 1.00 0.00 N ATOM 237 CA PHE A 16 8.247 0.576 -4.047 1.00 0.00 C ATOM 238 C PHE A 16 7.662 0.400 -2.656 1.00 0.00 C ATOM 239 O PHE A 16 8.035 1.110 -1.718 1.00 0.00 O ATOM 240 CB PHE A 16 9.341 -0.477 -4.262 1.00 0.00 C ATOM 241 CG PHE A 16 10.086 -0.350 -5.562 1.00 0.00 C ATOM 242 CD1 PHE A 16 9.576 -0.900 -6.725 1.00 0.00 C ATOM 243 CD2 PHE A 16 11.302 0.311 -5.617 1.00 0.00 C ATOM 244 CE1 PHE A 16 10.262 -0.792 -7.919 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.992 0.423 -6.809 1.00 0.00 C ATOM 246 CZ PHE A 16 11.471 -0.129 -7.961 1.00 0.00 C ATOM 0 H PHE A 16 9.730 2.036 -3.859 1.00 0.00 H new ATOM 0 HA PHE A 16 7.467 0.439 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.055 -0.412 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.888 -1.467 -4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.630 -1.420 -6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.716 0.744 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.852 -1.226 -8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.938 0.942 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.009 -0.042 -8.894 1.00 0.00 H new ATOM 256 N GLY A 17 6.756 -0.549 -2.528 1.00 0.00 N ATOM 257 CA GLY A 17 6.159 -0.842 -1.247 1.00 0.00 C ATOM 258 C GLY A 17 5.473 -2.187 -1.249 1.00 0.00 C ATOM 259 O GLY A 17 5.114 -2.703 -2.310 1.00 0.00 O ATOM 0 H GLY A 17 6.419 -1.128 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.928 -0.826 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.437 -0.065 -0.995 1.00 0.00 H new ATOM 263 N PHE A 18 5.304 -2.764 -0.071 1.00 0.00 N ATOM 264 CA PHE A 18 4.630 -4.039 0.072 1.00 0.00 C ATOM 265 C PHE A 18 3.681 -3.963 1.250 1.00 0.00 C ATOM 266 O PHE A 18 4.072 -3.584 2.356 1.00 0.00 O ATOM 267 CB PHE A 18 5.629 -5.181 0.283 1.00 0.00 C ATOM 268 CG PHE A 18 6.598 -5.364 -0.855 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.228 -6.068 -1.991 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.878 -4.832 -0.790 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.112 -6.235 -3.040 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.766 -4.997 -1.836 1.00 0.00 C ATOM 273 CZ PHE A 18 8.382 -5.699 -2.962 1.00 0.00 C ATOM 0 H PHE A 18 5.629 -2.362 0.808 1.00 0.00 H new ATOM 0 HA PHE A 18 4.079 -4.246 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.190 -4.995 1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.078 -6.110 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.237 -6.491 -2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.184 -4.283 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.810 -6.784 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.759 -4.578 -1.773 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.075 -5.828 -3.781 1.00 0.00 H new ATOM 283 N ILE A 19 2.439 -4.302 1.003 1.00 0.00 N ATOM 284 CA ILE A 19 1.409 -4.232 2.019 1.00 0.00 C ATOM 285 C ILE A 19 0.584 -5.506 2.001 1.00 0.00 C ATOM 286 O ILE A 19 0.185 -5.982 0.934 1.00 0.00 O ATOM 287 CB ILE A 19 0.492 -3.003 1.798 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.276 -1.706 2.030 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.735 -3.059 2.696 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.481 -0.454 1.733 1.00 0.00 C ATOM 0 H ILE A 19 2.111 -4.634 0.096 1.00 0.00 H new ATOM 0 HA ILE A 19 1.891 -4.125 2.991 1.00 0.00 H new ATOM 0 HB ILE A 19 0.145 -3.022 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.612 -1.675 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.169 -1.715 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.358 -2.183 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.306 -3.961 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.422 -3.074 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.100 0.423 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.168 -0.461 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.399 -0.421 2.376 1.00 0.00 H new ATOM 302 N LYS A 20 0.353 -6.071 3.175 1.00 0.00 N ATOM 303 CA LYS A 20 -0.451 -7.271 3.286 1.00 0.00 C ATOM 304 C LYS A 20 -1.834 -6.915 3.792 1.00 0.00 C ATOM 305 O LYS A 20 -1.975 -6.215 4.797 1.00 0.00 O ATOM 306 CB LYS A 20 0.187 -8.285 4.237 1.00 0.00 C ATOM 307 CG LYS A 20 -0.651 -9.545 4.396 1.00 0.00 C ATOM 308 CD LYS A 20 -0.155 -10.427 5.527 1.00 0.00 C ATOM 309 CE LYS A 20 -1.065 -11.632 5.718 1.00 0.00 C ATOM 310 NZ LYS A 20 -2.461 -11.234 6.055 1.00 0.00 N ATOM 0 H LYS A 20 0.711 -5.716 4.062 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.518 -7.722 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.175 -8.555 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.330 -7.822 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.688 -9.268 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.635 -10.110 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.859 -10.763 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.111 -9.850 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.069 -12.230 4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.667 -12.264 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.016 -12.081 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.451 -10.588 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.892 -10.755 5.239 1.00 0.00 H new ATOM 324 N ASP A 21 -2.845 -7.384 3.092 1.00 0.00 N ATOM 325 CA ASP A 21 -4.217 -7.177 3.507 1.00 0.00 C ATOM 326 C ASP A 21 -4.675 -8.306 4.413 1.00 0.00 C ATOM 327 O ASP A 21 -3.921 -9.247 4.690 1.00 0.00 O ATOM 328 CB ASP A 21 -5.134 -7.085 2.294 1.00 0.00 C ATOM 329 CG ASP A 21 -5.011 -8.286 1.391 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.983 -8.415 0.702 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.933 -9.114 1.374 1.00 0.00 O ATOM 0 H ASP A 21 -2.742 -7.915 2.227 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.267 -6.239 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.167 -6.989 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.897 -6.183 1.730 1.00 0.00 H new ATOM 336 N GLU A 22 -5.911 -8.213 4.866 1.00 0.00 N ATOM 337 CA GLU A 22 -6.464 -9.197 5.776 1.00 0.00 C ATOM 338 C GLU A 22 -7.021 -10.397 5.018 1.00 0.00 C ATOM 339 O GLU A 22 -7.379 -11.409 5.622 1.00 0.00 O ATOM 340 CB GLU A 22 -7.573 -8.578 6.625 1.00 0.00 C ATOM 341 CG GLU A 22 -7.118 -7.436 7.519 1.00 0.00 C ATOM 342 CD GLU A 22 -8.170 -7.054 8.544 1.00 0.00 C ATOM 343 OE1 GLU A 22 -9.225 -6.506 8.154 1.00 0.00 O ATOM 344 OE2 GLU A 22 -7.951 -7.310 9.749 1.00 0.00 O ATOM 0 H GLU A 22 -6.554 -7.461 4.617 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.655 -9.535 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.359 -8.214 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.014 -9.356 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.200 -7.723 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.881 -6.568 6.904 1.00 0.00 H new ATOM 351 N ASN A 23 -7.082 -10.292 3.698 1.00 0.00 N ATOM 352 CA ASN A 23 -7.748 -11.303 2.889 1.00 0.00 C ATOM 353 C ASN A 23 -6.748 -12.248 2.223 1.00 0.00 C ATOM 354 O ASN A 23 -6.950 -13.465 2.210 1.00 0.00 O ATOM 355 CB ASN A 23 -8.611 -10.625 1.823 1.00 0.00 C ATOM 356 CG ASN A 23 -9.527 -11.594 1.103 1.00 0.00 C ATOM 357 OD1 ASN A 23 -9.149 -12.201 0.102 1.00 0.00 O ATOM 358 ND2 ASN A 23 -10.749 -11.727 1.597 1.00 0.00 N ATOM 0 H ASN A 23 -6.680 -9.520 3.166 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.376 -11.899 3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.211 -9.845 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.963 -10.136 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.417 -12.352 1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.022 -11.205 2.430 1.00 0.00 H new ATOM 365 N GLY A 24 -5.673 -11.700 1.673 1.00 0.00 N ATOM 366 CA GLY A 24 -4.758 -12.516 0.899 1.00 0.00 C ATOM 367 C GLY A 24 -3.307 -12.456 1.344 1.00 0.00 C ATOM 368 O GLY A 24 -2.905 -13.129 2.295 1.00 0.00 O ATOM 0 H GLY A 24 -5.419 -10.715 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.093 -13.552 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.815 -12.208 -0.145 1.00 0.00 H new ATOM 372 N ASP A 25 -2.513 -11.647 0.654 1.00 0.00 N ATOM 373 CA ASP A 25 -1.060 -11.739 0.754 1.00 0.00 C ATOM 374 C ASP A 25 -0.425 -10.367 0.518 1.00 0.00 C ATOM 375 O ASP A 25 -1.134 -9.386 0.306 1.00 0.00 O ATOM 376 CB ASP A 25 -0.558 -12.759 -0.285 1.00 0.00 C ATOM 377 CG ASP A 25 0.875 -13.205 -0.066 1.00 0.00 C ATOM 378 OD1 ASP A 25 1.099 -14.127 0.741 1.00 0.00 O ATOM 379 OD2 ASP A 25 1.783 -12.652 -0.712 1.00 0.00 O ATOM 0 H ASP A 25 -2.848 -10.921 0.020 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.776 -12.070 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.208 -13.634 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.644 -12.322 -1.280 1.00 0.00 H new ATOM 384 N ASN A 26 0.902 -10.299 0.558 1.00 0.00 N ATOM 385 CA ASN A 26 1.612 -9.050 0.307 1.00 0.00 C ATOM 386 C ASN A 26 1.520 -8.670 -1.162 1.00 0.00 C ATOM 387 O ASN A 26 1.915 -9.434 -2.049 1.00 0.00 O ATOM 388 CB ASN A 26 3.082 -9.152 0.718 1.00 0.00 C ATOM 389 CG ASN A 26 3.308 -8.906 2.200 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.553 -7.776 2.623 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.240 -9.958 3.000 1.00 0.00 N ATOM 0 H ASN A 26 1.507 -11.094 0.762 1.00 0.00 H new ATOM 0 HA ASN A 26 1.137 -8.277 0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.457 -10.142 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.664 -8.431 0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.393 -9.847 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.035 -10.880 2.614 1.00 0.00 H new ATOM 398 N ARG A 27 1.000 -7.488 -1.409 1.00 0.00 N ATOM 399 CA ARG A 27 0.802 -6.997 -2.761 1.00 0.00 C ATOM 400 C ARG A 27 1.800 -5.890 -3.058 1.00 0.00 C ATOM 401 O ARG A 27 2.267 -5.206 -2.146 1.00 0.00 O ATOM 402 CB ARG A 27 -0.642 -6.512 -2.926 1.00 0.00 C ATOM 403 CG ARG A 27 -1.653 -7.539 -2.432 1.00 0.00 C ATOM 404 CD ARG A 27 -3.093 -7.107 -2.651 1.00 0.00 C ATOM 405 NE ARG A 27 -4.011 -7.922 -1.855 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.981 -8.690 -2.352 1.00 0.00 C ATOM 407 NH1 ARG A 27 -5.158 -8.787 -3.661 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.765 -9.372 -1.527 1.00 0.00 N ATOM 0 H ARG A 27 0.702 -6.838 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 27 0.972 -7.802 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.776 -5.580 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.832 -6.293 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.481 -8.485 -2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.491 -7.718 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.206 -6.057 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.346 -7.194 -3.708 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.900 -7.901 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.550 -8.272 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.903 -9.377 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.624 -9.307 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.509 -9.961 -1.901 1.00 0.00 H new ATOM 422 N TYR A 28 2.146 -5.752 -4.324 1.00 0.00 N ATOM 423 CA TYR A 28 3.101 -4.749 -4.766 1.00 0.00 C ATOM 424 C TYR A 28 2.440 -3.380 -4.830 1.00 0.00 C ATOM 425 O TYR A 28 1.437 -3.192 -5.518 1.00 0.00 O ATOM 426 CB TYR A 28 3.660 -5.145 -6.141 1.00 0.00 C ATOM 427 CG TYR A 28 4.565 -4.114 -6.784 1.00 0.00 C ATOM 428 CD1 TYR A 28 5.930 -4.105 -6.529 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.054 -3.162 -7.661 1.00 0.00 C ATOM 430 CE1 TYR A 28 6.761 -3.177 -7.128 1.00 0.00 C ATOM 431 CE2 TYR A 28 4.878 -2.231 -8.262 1.00 0.00 C ATOM 432 CZ TYR A 28 6.229 -2.243 -7.993 1.00 0.00 C ATOM 433 OH TYR A 28 7.052 -1.317 -8.593 1.00 0.00 O ATOM 0 H TYR A 28 1.774 -6.331 -5.076 1.00 0.00 H new ATOM 0 HA TYR A 28 3.922 -4.695 -4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.214 -6.078 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.825 -5.343 -6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.349 -4.835 -5.852 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.995 -3.151 -7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.821 -3.183 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.466 -1.498 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 28 7.931 -1.331 -8.160 1.00 0.00 H new ATOM 443 N PHE A 29 2.992 -2.432 -4.100 1.00 0.00 N ATOM 444 CA PHE A 29 2.485 -1.078 -4.117 1.00 0.00 C ATOM 445 C PHE A 29 3.496 -0.146 -4.757 1.00 0.00 C ATOM 446 O PHE A 29 4.700 -0.406 -4.751 1.00 0.00 O ATOM 447 CB PHE A 29 2.138 -0.602 -2.706 1.00 0.00 C ATOM 448 CG PHE A 29 0.909 -1.258 -2.135 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.894 -2.611 -1.851 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.235 -0.519 -1.897 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.237 -3.215 -1.338 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.370 -1.116 -1.384 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.371 -2.467 -1.103 1.00 0.00 C ATOM 0 H PHE A 29 3.794 -2.577 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 29 1.571 -1.066 -4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.984 -0.798 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.990 0.478 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.779 -3.203 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.241 0.539 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.233 -4.273 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.256 -0.526 -1.203 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.256 -2.936 -0.701 1.00 0.00 H new ATOM 463 N HIS A 30 2.990 0.928 -5.321 1.00 0.00 N ATOM 464 CA HIS A 30 3.812 1.897 -6.010 1.00 0.00 C ATOM 465 C HIS A 30 3.403 3.295 -5.564 1.00 0.00 C ATOM 466 O HIS A 30 2.218 3.614 -5.562 1.00 0.00 O ATOM 467 CB HIS A 30 3.606 1.728 -7.516 1.00 0.00 C ATOM 468 CG HIS A 30 4.600 2.430 -8.389 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.093 3.693 -8.134 1.00 0.00 N ATOM 470 CD2 HIS A 30 5.139 2.051 -9.565 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.881 4.062 -9.127 1.00 0.00 C ATOM 472 NE2 HIS A 30 5.933 3.081 -10.006 1.00 0.00 N ATOM 0 H HIS A 30 1.995 1.154 -5.315 1.00 0.00 H new ATOM 0 HA HIS A 30 4.866 1.749 -5.776 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.631 0.664 -7.751 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.609 2.087 -7.771 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.976 1.109 -10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.396 5.008 -9.206 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.474 3.086 -10.871 1.00 0.00 H new ATOM 481 N VAL A 31 4.384 4.113 -5.196 1.00 0.00 N ATOM 482 CA VAL A 31 4.140 5.466 -4.673 1.00 0.00 C ATOM 483 C VAL A 31 3.182 6.290 -5.556 1.00 0.00 C ATOM 484 O VAL A 31 2.471 7.165 -5.066 1.00 0.00 O ATOM 485 CB VAL A 31 5.478 6.229 -4.504 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.160 6.446 -5.847 1.00 0.00 C ATOM 487 CG2 VAL A 31 5.272 7.549 -3.780 1.00 0.00 C ATOM 0 H VAL A 31 5.372 3.863 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 31 3.657 5.339 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 31 6.134 5.611 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.096 6.984 -5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.366 5.481 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.507 7.029 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.229 8.061 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.586 8.174 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.853 7.360 -2.792 1.00 0.00 H new ATOM 497 N ILE A 32 3.135 5.977 -6.845 1.00 0.00 N ATOM 498 CA ILE A 32 2.361 6.763 -7.797 1.00 0.00 C ATOM 499 C ILE A 32 0.869 6.416 -7.726 1.00 0.00 C ATOM 500 O ILE A 32 0.009 7.192 -8.140 1.00 0.00 O ATOM 501 CB ILE A 32 2.890 6.550 -9.237 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.182 7.483 -10.200 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.689 5.109 -9.681 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.964 7.766 -11.463 1.00 0.00 C ATOM 0 H ILE A 32 3.625 5.182 -7.256 1.00 0.00 H new ATOM 0 HA ILE A 32 2.478 7.813 -7.529 1.00 0.00 H new ATOM 0 HB ILE A 32 3.957 6.771 -9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.219 7.049 -10.470 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.976 8.425 -9.693 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.068 4.985 -10.695 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.228 4.442 -9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.627 4.866 -9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.393 8.440 -12.101 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.916 8.230 -11.205 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.147 6.832 -11.994 1.00 0.00 H new ATOM 516 N LYS A 33 0.573 5.246 -7.183 1.00 0.00 N ATOM 517 CA LYS A 33 -0.799 4.759 -7.096 1.00 0.00 C ATOM 518 C LYS A 33 -1.350 4.926 -5.684 1.00 0.00 C ATOM 519 O LYS A 33 -2.417 4.407 -5.353 1.00 0.00 O ATOM 520 CB LYS A 33 -0.867 3.289 -7.525 1.00 0.00 C ATOM 521 CG LYS A 33 -0.427 3.066 -8.962 1.00 0.00 C ATOM 522 CD LYS A 33 -1.276 3.878 -9.925 1.00 0.00 C ATOM 523 CE LYS A 33 -0.627 3.983 -11.298 1.00 0.00 C ATOM 524 NZ LYS A 33 -1.322 4.969 -12.166 1.00 0.00 N ATOM 0 H LYS A 33 1.268 4.610 -6.793 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.415 5.353 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.238 2.694 -6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.888 2.928 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.621 3.345 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.503 2.007 -9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.259 3.416 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.432 4.877 -9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.418 4.272 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.636 3.005 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.849 5.011 -13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.313 4.680 -12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.291 5.908 -11.719 1.00 0.00 H new ATOM 538 N VAL A 34 -0.620 5.659 -4.858 1.00 0.00 N ATOM 539 CA VAL A 34 -1.058 5.943 -3.504 1.00 0.00 C ATOM 540 C VAL A 34 -1.622 7.357 -3.434 1.00 0.00 C ATOM 541 O VAL A 34 -1.002 8.301 -3.924 1.00 0.00 O ATOM 542 CB VAL A 34 0.096 5.795 -2.487 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.418 5.957 -1.068 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.792 4.454 -2.652 1.00 0.00 C ATOM 0 H VAL A 34 0.281 6.068 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.830 5.219 -3.243 1.00 0.00 H new ATOM 0 HB VAL A 34 0.823 6.583 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.410 5.849 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.865 6.945 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.168 5.193 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.601 4.372 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.075 3.649 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.200 4.377 -3.660 1.00 0.00 H new ATOM 554 N ALA A 35 -2.796 7.498 -2.836 1.00 0.00 N ATOM 555 CA ALA A 35 -3.454 8.793 -2.735 1.00 0.00 C ATOM 556 C ALA A 35 -2.710 9.708 -1.768 1.00 0.00 C ATOM 557 O ALA A 35 -2.659 10.923 -1.961 1.00 0.00 O ATOM 558 CB ALA A 35 -4.901 8.613 -2.299 1.00 0.00 C ATOM 0 H ALA A 35 -3.314 6.729 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.441 9.264 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.383 9.588 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.428 8.001 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.930 8.121 -1.327 1.00 0.00 H new ATOM 564 N ASN A 36 -2.134 9.114 -0.733 1.00 0.00 N ATOM 565 CA ASN A 36 -1.395 9.865 0.272 1.00 0.00 C ATOM 566 C ASN A 36 -0.152 9.095 0.732 1.00 0.00 C ATOM 567 O ASN A 36 -0.114 8.543 1.832 1.00 0.00 O ATOM 568 CB ASN A 36 -2.299 10.218 1.466 1.00 0.00 C ATOM 569 CG ASN A 36 -3.015 9.023 2.088 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.292 8.018 1.429 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.337 9.136 3.367 1.00 0.00 N ATOM 0 H ASN A 36 -2.165 8.108 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.059 10.797 -0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.695 10.704 2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.044 10.944 1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.830 8.377 3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.092 9.982 3.882 1.00 0.00 H new ATOM 578 N PRO A 37 0.893 9.055 -0.117 1.00 0.00 N ATOM 579 CA PRO A 37 2.113 8.288 0.160 1.00 0.00 C ATOM 580 C PRO A 37 3.008 8.949 1.203 1.00 0.00 C ATOM 581 O PRO A 37 3.883 8.308 1.780 1.00 0.00 O ATOM 582 CB PRO A 37 2.815 8.247 -1.197 1.00 0.00 C ATOM 583 CG PRO A 37 2.369 9.487 -1.891 1.00 0.00 C ATOM 584 CD PRO A 37 0.963 9.751 -1.420 1.00 0.00 C ATOM 0 HA PRO A 37 1.886 7.306 0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.899 8.226 -1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.537 7.356 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.024 10.325 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.399 9.360 -2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.770 10.819 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.226 9.362 -2.122 1.00 0.00 H new ATOM 592 N ASP A 38 2.774 10.230 1.449 1.00 0.00 N ATOM 593 CA ASP A 38 3.570 10.985 2.412 1.00 0.00 C ATOM 594 C ASP A 38 3.178 10.610 3.837 1.00 0.00 C ATOM 595 O ASP A 38 3.964 10.749 4.774 1.00 0.00 O ATOM 596 CB ASP A 38 3.368 12.484 2.186 1.00 0.00 C ATOM 597 CG ASP A 38 4.291 13.345 3.028 1.00 0.00 C ATOM 598 OD1 ASP A 38 5.489 13.454 2.681 1.00 0.00 O ATOM 599 OD2 ASP A 38 3.820 13.934 4.023 1.00 0.00 O ATOM 0 H ASP A 38 2.038 10.771 0.995 1.00 0.00 H new ATOM 0 HA ASP A 38 4.623 10.741 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.531 12.711 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.334 12.743 2.412 1.00 0.00 H new ATOM 604 N LEU A 39 1.964 10.091 3.981 1.00 0.00 N ATOM 605 CA LEU A 39 1.416 9.754 5.280 1.00 0.00 C ATOM 606 C LEU A 39 1.592 8.269 5.562 1.00 0.00 C ATOM 607 O LEU A 39 1.113 7.752 6.568 1.00 0.00 O ATOM 608 CB LEU A 39 -0.068 10.123 5.322 1.00 0.00 C ATOM 609 CG LEU A 39 -0.378 11.617 5.183 1.00 0.00 C ATOM 610 CD1 LEU A 39 -1.878 11.854 5.209 1.00 0.00 C ATOM 611 CD2 LEU A 39 0.306 12.408 6.287 1.00 0.00 C ATOM 0 H LEU A 39 1.337 9.894 3.201 1.00 0.00 H new ATOM 0 HA LEU A 39 1.950 10.317 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.581 9.587 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.487 9.769 6.264 1.00 0.00 H new ATOM 0 HG LEU A 39 0.008 11.961 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.080 12.921 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.345 11.317 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.287 11.494 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.075 13.467 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.050 12.062 7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.384 12.263 6.224 1.00 0.00 H new ATOM 623 N ILE A 40 2.285 7.593 4.658 1.00 0.00 N ATOM 624 CA ILE A 40 2.528 6.169 4.785 1.00 0.00 C ATOM 625 C ILE A 40 3.552 5.883 5.875 1.00 0.00 C ATOM 626 O ILE A 40 4.682 6.378 5.832 1.00 0.00 O ATOM 627 CB ILE A 40 3.009 5.561 3.451 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.861 5.531 2.437 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.575 4.161 3.663 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.221 4.872 1.124 1.00 0.00 C ATOM 0 H ILE A 40 2.691 8.015 3.823 1.00 0.00 H new ATOM 0 HA ILE A 40 1.581 5.705 5.059 1.00 0.00 H new ATOM 0 HB ILE A 40 3.807 6.190 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.014 5.004 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.534 6.552 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.907 3.754 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.420 4.210 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.803 3.516 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.357 4.890 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.047 5.412 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.519 3.839 1.305 1.00 0.00 H new ATOM 642 N LYS A 41 3.133 5.111 6.865 1.00 0.00 N ATOM 643 CA LYS A 41 4.025 4.639 7.908 1.00 0.00 C ATOM 644 C LYS A 41 3.763 3.164 8.170 1.00 0.00 C ATOM 645 O LYS A 41 2.737 2.625 7.752 1.00 0.00 O ATOM 646 CB LYS A 41 3.842 5.440 9.200 1.00 0.00 C ATOM 647 CG LYS A 41 4.143 6.922 9.052 1.00 0.00 C ATOM 648 CD LYS A 41 4.272 7.605 10.402 1.00 0.00 C ATOM 649 CE LYS A 41 5.482 7.096 11.176 1.00 0.00 C ATOM 650 NZ LYS A 41 6.745 7.265 10.409 1.00 0.00 N ATOM 0 H LYS A 41 2.168 4.796 6.967 1.00 0.00 H new ATOM 0 HA LYS A 41 5.052 4.777 7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.816 5.320 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.491 5.022 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.067 7.051 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.350 7.399 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.358 8.682 10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.368 7.433 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.558 7.631 12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.342 6.042 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.557 7.167 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.801 6.538 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.762 8.208 9.971 1.00 0.00 H new ATOM 664 N LYS A 42 4.686 2.517 8.859 1.00 0.00 N ATOM 665 CA LYS A 42 4.565 1.098 9.153 1.00 0.00 C ATOM 666 C LYS A 42 3.426 0.870 10.145 1.00 0.00 C ATOM 667 O LYS A 42 3.206 1.686 11.041 1.00 0.00 O ATOM 668 CB LYS A 42 5.896 0.568 9.705 1.00 0.00 C ATOM 669 CG LYS A 42 6.109 -0.932 9.519 1.00 0.00 C ATOM 670 CD LYS A 42 5.330 -1.761 10.523 1.00 0.00 C ATOM 671 CE LYS A 42 5.572 -3.247 10.318 1.00 0.00 C ATOM 672 NZ LYS A 42 7.008 -3.601 10.474 1.00 0.00 N ATOM 0 H LYS A 42 5.531 2.953 9.227 1.00 0.00 H new ATOM 0 HA LYS A 42 4.333 0.552 8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.714 1.101 9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.951 0.800 10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.810 -1.215 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.171 -1.159 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.622 -1.479 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.266 -1.547 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.978 -3.814 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.233 -3.536 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.101 -4.629 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.532 -3.306 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.397 -3.116 11.308 1.00 0.00 H new ATOM 686 N ASP A 43 2.697 -0.232 9.945 1.00 0.00 N ATOM 687 CA ASP A 43 1.589 -0.643 10.822 1.00 0.00 C ATOM 688 C ASP A 43 0.339 0.210 10.580 1.00 0.00 C ATOM 689 O ASP A 43 -0.679 0.052 11.253 1.00 0.00 O ATOM 690 CB ASP A 43 2.009 -0.593 12.301 1.00 0.00 C ATOM 691 CG ASP A 43 0.971 -1.181 13.237 1.00 0.00 C ATOM 692 OD1 ASP A 43 0.794 -2.417 13.235 1.00 0.00 O ATOM 693 OD2 ASP A 43 0.323 -0.413 13.979 1.00 0.00 O ATOM 0 H ASP A 43 2.858 -0.870 9.166 1.00 0.00 H new ATOM 0 HA ASP A 43 1.339 -1.675 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.947 -1.134 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.198 0.443 12.583 1.00 0.00 H new ATOM 698 N ALA A 44 0.401 1.090 9.592 1.00 0.00 N ATOM 699 CA ALA A 44 -0.751 1.904 9.235 1.00 0.00 C ATOM 700 C ALA A 44 -1.703 1.110 8.348 1.00 0.00 C ATOM 701 O ALA A 44 -1.272 0.257 7.567 1.00 0.00 O ATOM 702 CB ALA A 44 -0.311 3.182 8.539 1.00 0.00 C ATOM 0 H ALA A 44 1.232 1.258 9.026 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.277 2.180 10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.188 3.776 8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.333 3.756 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.238 2.931 7.631 1.00 0.00 H new ATOM 708 N ALA A 45 -2.992 1.382 8.481 1.00 0.00 N ATOM 709 CA ALA A 45 -4.007 0.685 7.706 1.00 0.00 C ATOM 710 C ALA A 45 -4.307 1.437 6.416 1.00 0.00 C ATOM 711 O ALA A 45 -4.353 2.669 6.402 1.00 0.00 O ATOM 712 CB ALA A 45 -5.274 0.514 8.530 1.00 0.00 C ATOM 0 H ALA A 45 -3.361 2.084 9.122 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.626 -0.302 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.025 -0.009 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.050 -0.065 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.656 1.494 8.817 1.00 0.00 H new ATOM 718 N VAL A 46 -4.501 0.696 5.338 1.00 0.00 N ATOM 719 CA VAL A 46 -4.783 1.296 4.040 1.00 0.00 C ATOM 720 C VAL A 46 -5.970 0.618 3.368 1.00 0.00 C ATOM 721 O VAL A 46 -6.242 -0.558 3.608 1.00 0.00 O ATOM 722 CB VAL A 46 -3.563 1.215 3.093 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.405 2.038 3.627 1.00 0.00 C ATOM 724 CG2 VAL A 46 -3.132 -0.230 2.887 1.00 0.00 C ATOM 0 H VAL A 46 -4.469 -0.323 5.334 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.017 2.344 4.228 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.862 1.628 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.560 1.964 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.710 3.081 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.112 1.661 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.272 -0.261 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.860 -0.669 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.954 -0.796 2.449 1.00 0.00 H new ATOM 734 N THR A 47 -6.677 1.375 2.547 1.00 0.00 N ATOM 735 CA THR A 47 -7.757 0.836 1.735 1.00 0.00 C ATOM 736 C THR A 47 -7.440 1.034 0.256 1.00 0.00 C ATOM 737 O THR A 47 -6.994 2.111 -0.147 1.00 0.00 O ATOM 738 CB THR A 47 -9.110 1.488 2.082 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.963 2.909 2.201 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.667 0.919 3.379 1.00 0.00 C ATOM 0 H THR A 47 -6.521 2.375 2.424 1.00 0.00 H new ATOM 0 HA THR A 47 -7.841 -0.229 1.950 1.00 0.00 H new ATOM 0 HB THR A 47 -9.808 1.267 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.830 3.310 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.622 1.394 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.812 -0.156 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.966 1.111 4.191 1.00 0.00 H new ATOM 748 N PHE A 48 -7.661 -0.002 -0.542 1.00 0.00 N ATOM 749 CA PHE A 48 -7.232 0.002 -1.936 1.00 0.00 C ATOM 750 C PHE A 48 -8.089 -0.923 -2.794 1.00 0.00 C ATOM 751 O PHE A 48 -8.930 -1.662 -2.278 1.00 0.00 O ATOM 752 CB PHE A 48 -5.768 -0.440 -2.020 1.00 0.00 C ATOM 753 CG PHE A 48 -5.467 -1.696 -1.237 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.776 -2.947 -1.753 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.880 -1.624 0.018 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.505 -4.097 -1.035 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.608 -2.773 0.739 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.921 -4.010 0.212 1.00 0.00 C ATOM 0 H PHE A 48 -8.135 -0.856 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.345 1.016 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.506 -0.603 -3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.133 0.367 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.234 -3.023 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.633 -0.660 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.750 -5.063 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.151 -2.702 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.709 -4.907 0.774 1.00 0.00 H new ATOM 768 N GLU A 49 -7.862 -0.877 -4.104 1.00 0.00 N ATOM 769 CA GLU A 49 -8.491 -1.814 -5.028 1.00 0.00 C ATOM 770 C GLU A 49 -7.508 -2.921 -5.382 1.00 0.00 C ATOM 771 O GLU A 49 -6.314 -2.664 -5.530 1.00 0.00 O ATOM 772 CB GLU A 49 -8.928 -1.113 -6.317 1.00 0.00 C ATOM 773 CG GLU A 49 -10.105 -0.172 -6.150 1.00 0.00 C ATOM 774 CD GLU A 49 -11.346 -0.877 -5.637 1.00 0.00 C ATOM 775 OE1 GLU A 49 -12.047 -1.525 -6.443 1.00 0.00 O ATOM 776 OE2 GLU A 49 -11.635 -0.774 -4.430 1.00 0.00 O ATOM 0 H GLU A 49 -7.245 -0.198 -4.550 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.372 -2.229 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.083 -0.551 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.186 -1.870 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.833 0.626 -5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.328 0.298 -7.108 1.00 0.00 H new ATOM 783 N PRO A 50 -7.988 -4.161 -5.532 1.00 0.00 N ATOM 784 CA PRO A 50 -7.145 -5.285 -5.927 1.00 0.00 C ATOM 785 C PRO A 50 -6.927 -5.356 -7.438 1.00 0.00 C ATOM 786 O PRO A 50 -7.828 -5.049 -8.229 1.00 0.00 O ATOM 787 CB PRO A 50 -7.930 -6.498 -5.443 1.00 0.00 C ATOM 788 CG PRO A 50 -9.363 -6.073 -5.467 1.00 0.00 C ATOM 789 CD PRO A 50 -9.383 -4.571 -5.294 1.00 0.00 C ATOM 0 HA PRO A 50 -6.143 -5.209 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.764 -7.359 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.623 -6.791 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.834 -6.359 -6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.923 -6.560 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.063 -4.098 -6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.716 -4.290 -4.295 1.00 0.00 H new ATOM 797 N THR A 51 -5.728 -5.765 -7.827 1.00 0.00 N ATOM 798 CA THR A 51 -5.376 -5.897 -9.232 1.00 0.00 C ATOM 799 C THR A 51 -4.096 -6.720 -9.383 1.00 0.00 C ATOM 800 O THR A 51 -3.481 -7.123 -8.394 1.00 0.00 O ATOM 801 CB THR A 51 -5.197 -4.510 -9.894 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.123 -4.641 -11.320 1.00 0.00 O ATOM 803 CG2 THR A 51 -3.945 -3.812 -9.379 1.00 0.00 C ATOM 0 H THR A 51 -4.977 -6.013 -7.183 1.00 0.00 H new ATOM 0 HA THR A 51 -6.193 -6.413 -9.737 1.00 0.00 H new ATOM 0 HB THR A 51 -6.064 -3.904 -9.632 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.077 -3.751 -11.728 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.846 -2.840 -9.862 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.022 -3.675 -8.300 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.070 -4.421 -9.606 1.00 0.00 H new ATOM 811 N THR A 52 -3.704 -6.977 -10.616 1.00 0.00 N ATOM 812 CA THR A 52 -2.519 -7.761 -10.889 1.00 0.00 C ATOM 813 C THR A 52 -1.433 -6.912 -11.545 1.00 0.00 C ATOM 814 O THR A 52 -1.718 -6.023 -12.350 1.00 0.00 O ATOM 815 CB THR A 52 -2.858 -8.964 -11.784 1.00 0.00 C ATOM 816 OG1 THR A 52 -3.708 -8.547 -12.865 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.546 -10.058 -10.985 1.00 0.00 C ATOM 0 H THR A 52 -4.194 -6.651 -11.449 1.00 0.00 H new ATOM 0 HA THR A 52 -2.139 -8.127 -9.935 1.00 0.00 H new ATOM 0 HB THR A 52 -1.927 -9.363 -12.186 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.918 -9.318 -13.432 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.775 -10.898 -11.641 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.887 -10.393 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.470 -9.669 -10.556 1.00 0.00 H new ATOM 825 N ASN A 53 -0.188 -7.191 -11.193 1.00 0.00 N ATOM 826 CA ASN A 53 0.952 -6.445 -11.710 1.00 0.00 C ATOM 827 C ASN A 53 1.625 -7.239 -12.824 1.00 0.00 C ATOM 828 O ASN A 53 2.769 -6.970 -13.191 1.00 0.00 O ATOM 829 CB ASN A 53 1.953 -6.176 -10.576 1.00 0.00 C ATOM 830 CG ASN A 53 3.015 -5.146 -10.935 1.00 0.00 C ATOM 831 OD1 ASN A 53 2.636 -4.124 -11.693 1.00 0.00 O flip ATOM 832 ND2 ASN A 53 4.166 -5.256 -10.514 1.00 0.00 N flip ATOM 0 H ASN A 53 0.062 -7.937 -10.544 1.00 0.00 H new ATOM 0 HA ASN A 53 0.607 -5.493 -12.112 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.409 -5.834 -9.696 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.442 -7.111 -10.305 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.423 -6.055 -9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.863 -4.549 -10.745 1.00 0.00 H new ATOM 839 N ASN A 54 0.896 -8.230 -13.345 1.00 0.00 N ATOM 840 CA ASN A 54 1.395 -9.140 -14.387 1.00 0.00 C ATOM 841 C ASN A 54 2.400 -10.133 -13.801 1.00 0.00 C ATOM 842 O ASN A 54 2.315 -11.336 -14.043 1.00 0.00 O ATOM 843 CB ASN A 54 2.022 -8.369 -15.558 1.00 0.00 C ATOM 844 CG ASN A 54 2.435 -9.272 -16.706 1.00 0.00 C ATOM 845 OD1 ASN A 54 3.545 -9.800 -16.730 1.00 0.00 O ATOM 846 ND2 ASN A 54 1.548 -9.439 -17.675 1.00 0.00 N ATOM 0 H ASN A 54 -0.062 -8.427 -13.056 1.00 0.00 H new ATOM 0 HA ASN A 54 0.541 -9.695 -14.774 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.309 -7.629 -15.923 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.894 -7.822 -15.201 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.775 -10.024 -18.479 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.637 -8.983 -17.617 1.00 0.00 H new ATOM 853 N LYS A 55 3.341 -9.619 -13.022 1.00 0.00 N ATOM 854 CA LYS A 55 4.349 -10.431 -12.376 1.00 0.00 C ATOM 855 C LYS A 55 4.082 -10.538 -10.875 1.00 0.00 C ATOM 856 O LYS A 55 5.003 -10.748 -10.084 1.00 0.00 O ATOM 857 CB LYS A 55 5.718 -9.805 -12.625 1.00 0.00 C ATOM 858 CG LYS A 55 6.162 -9.871 -14.077 1.00 0.00 C ATOM 859 CD LYS A 55 7.494 -9.170 -14.293 1.00 0.00 C ATOM 860 CE LYS A 55 7.377 -7.665 -14.110 1.00 0.00 C ATOM 861 NZ LYS A 55 8.682 -6.980 -14.304 1.00 0.00 N ATOM 0 H LYS A 55 3.423 -8.622 -12.823 1.00 0.00 H new ATOM 0 HA LYS A 55 4.320 -11.438 -12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.695 -8.762 -12.308 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.458 -10.310 -12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.246 -10.913 -14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.403 -9.412 -14.710 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.230 -9.565 -13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.860 -9.387 -15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.650 -7.269 -14.819 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.999 -7.449 -13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.560 -5.956 -14.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.369 -7.340 -13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.031 -7.165 -15.266 1.00 0.00 H new ATOM 875 N GLY A 56 2.821 -10.394 -10.490 1.00 0.00 N ATOM 876 CA GLY A 56 2.456 -10.475 -9.088 1.00 0.00 C ATOM 877 C GLY A 56 1.153 -9.763 -8.801 1.00 0.00 C ATOM 878 O GLY A 56 0.451 -9.346 -9.724 1.00 0.00 O ATOM 0 H GLY A 56 2.042 -10.222 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.370 -11.521 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.249 -10.039 -8.481 1.00 0.00 H new ATOM 882 N LEU A 57 0.825 -9.625 -7.527 1.00 0.00 N ATOM 883 CA LEU A 57 -0.380 -8.934 -7.115 1.00 0.00 C ATOM 884 C LEU A 57 -0.063 -7.489 -6.761 1.00 0.00 C ATOM 885 O LEU A 57 1.010 -7.200 -6.242 1.00 0.00 O ATOM 886 CB LEU A 57 -1.001 -9.639 -5.910 1.00 0.00 C ATOM 887 CG LEU A 57 -1.460 -11.079 -6.155 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.034 -11.675 -4.880 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.484 -11.135 -7.278 1.00 0.00 C ATOM 0 H LEU A 57 1.385 -9.987 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.091 -8.947 -7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.274 -9.641 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.857 -9.056 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.594 -11.669 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.356 -12.699 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.271 -11.673 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.887 -11.081 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.796 -12.168 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.351 -10.531 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.040 -10.747 -8.195 1.00 0.00 H new ATOM 901 N SER A 58 -0.991 -6.588 -7.039 1.00 0.00 N ATOM 902 CA SER A 58 -0.795 -5.172 -6.762 1.00 0.00 C ATOM 903 C SER A 58 -2.115 -4.495 -6.413 1.00 0.00 C ATOM 904 O SER A 58 -3.184 -5.094 -6.539 1.00 0.00 O ATOM 905 CB SER A 58 -0.151 -4.475 -7.958 1.00 0.00 C ATOM 906 OG SER A 58 -0.627 -5.013 -9.180 1.00 0.00 O ATOM 0 H SER A 58 -1.893 -6.813 -7.459 1.00 0.00 H new ATOM 0 HA SER A 58 -0.128 -5.089 -5.904 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.366 -3.407 -7.919 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.932 -4.584 -7.906 1.00 0.00 H new ATOM 0 HG SER A 58 -0.237 -4.517 -9.930 1.00 0.00 H new ATOM 912 N ALA A 59 -2.037 -3.258 -5.943 1.00 0.00 N ATOM 913 CA ALA A 59 -3.232 -2.520 -5.555 1.00 0.00 C ATOM 914 C ALA A 59 -3.251 -1.111 -6.147 1.00 0.00 C ATOM 915 O ALA A 59 -2.200 -0.509 -6.371 1.00 0.00 O ATOM 916 CB ALA A 59 -3.326 -2.450 -4.045 1.00 0.00 C ATOM 0 H ALA A 59 -1.163 -2.746 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.095 -3.054 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.221 -1.897 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.378 -3.459 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.446 -1.943 -3.649 1.00 0.00 H new ATOM 922 N TYR A 60 -4.454 -0.598 -6.404 1.00 0.00 N ATOM 923 CA TYR A 60 -4.629 0.782 -6.862 1.00 0.00 C ATOM 924 C TYR A 60 -5.368 1.595 -5.813 1.00 0.00 C ATOM 925 O TYR A 60 -5.881 1.037 -4.842 1.00 0.00 O ATOM 926 CB TYR A 60 -5.442 0.865 -8.152 1.00 0.00 C ATOM 927 CG TYR A 60 -4.816 0.232 -9.367 1.00 0.00 C ATOM 928 CD1 TYR A 60 -3.501 0.492 -9.726 1.00 0.00 C ATOM 929 CD2 TYR A 60 -5.564 -0.612 -10.173 1.00 0.00 C ATOM 930 CE1 TYR A 60 -2.948 -0.080 -10.855 1.00 0.00 C ATOM 931 CE2 TYR A 60 -5.024 -1.182 -11.304 1.00 0.00 C ATOM 932 CZ TYR A 60 -3.717 -0.914 -11.642 1.00 0.00 C ATOM 933 OH TYR A 60 -3.178 -1.475 -12.777 1.00 0.00 O ATOM 0 H TYR A 60 -5.325 -1.119 -6.303 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.628 1.175 -7.039 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.410 0.395 -7.979 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.633 1.916 -8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.902 1.150 -9.114 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.589 -0.826 -9.909 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.921 0.124 -11.120 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.622 -1.835 -11.922 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.851 -2.036 -13.216 1.00 0.00 H new ATOM 943 N ALA A 61 -5.448 2.908 -6.048 1.00 0.00 N ATOM 944 CA ALA A 61 -6.225 3.821 -5.209 1.00 0.00 C ATOM 945 C ALA A 61 -5.887 3.658 -3.732 1.00 0.00 C ATOM 946 O ALA A 61 -6.773 3.704 -2.875 1.00 0.00 O ATOM 947 CB ALA A 61 -7.711 3.599 -5.444 1.00 0.00 C ATOM 0 H ALA A 61 -4.975 3.367 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.964 4.841 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.285 4.281 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.946 3.786 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.970 2.571 -5.192 1.00 0.00 H new ATOM 953 N VAL A 62 -4.603 3.499 -3.444 1.00 0.00 N ATOM 954 CA VAL A 62 -4.147 3.238 -2.087 1.00 0.00 C ATOM 955 C VAL A 62 -4.362 4.451 -1.194 1.00 0.00 C ATOM 956 O VAL A 62 -3.629 5.437 -1.277 1.00 0.00 O ATOM 957 CB VAL A 62 -2.658 2.849 -2.059 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.250 2.376 -0.671 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.364 1.788 -3.109 1.00 0.00 C ATOM 0 H VAL A 62 -3.855 3.547 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.738 2.404 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.066 3.733 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.194 2.106 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.418 3.176 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.846 1.506 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.307 1.525 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.965 0.901 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.609 2.176 -4.097 1.00 0.00 H new ATOM 969 N LYS A 63 -5.381 4.385 -0.361 1.00 0.00 N ATOM 970 CA LYS A 63 -5.671 5.457 0.570 1.00 0.00 C ATOM 971 C LYS A 63 -5.303 5.030 1.984 1.00 0.00 C ATOM 972 O LYS A 63 -5.862 4.071 2.521 1.00 0.00 O ATOM 973 CB LYS A 63 -7.145 5.846 0.483 1.00 0.00 C ATOM 974 CG LYS A 63 -7.504 7.083 1.290 1.00 0.00 C ATOM 975 CD LYS A 63 -8.863 7.626 0.886 1.00 0.00 C ATOM 976 CE LYS A 63 -8.890 7.987 -0.592 1.00 0.00 C ATOM 977 NZ LYS A 63 -10.186 8.591 -0.998 1.00 0.00 N ATOM 0 H LYS A 63 -6.025 3.596 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.074 6.330 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.404 6.018 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.752 5.010 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.508 6.839 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.744 7.850 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.632 6.883 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.099 8.507 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.082 8.685 -0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.706 7.092 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.159 8.821 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.956 7.916 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.351 9.460 -0.450 1.00 0.00 H new ATOM 991 N VAL A 64 -4.351 5.740 2.567 1.00 0.00 N ATOM 992 CA VAL A 64 -3.838 5.416 3.892 1.00 0.00 C ATOM 993 C VAL A 64 -4.673 6.093 4.972 1.00 0.00 C ATOM 994 O VAL A 64 -5.089 7.240 4.811 1.00 0.00 O ATOM 995 CB VAL A 64 -2.367 5.862 4.043 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.775 5.364 5.354 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.544 5.382 2.859 1.00 0.00 C ATOM 0 H VAL A 64 -3.912 6.555 2.138 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.897 4.334 4.008 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.341 6.952 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.739 5.693 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.349 5.767 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.813 4.275 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.510 5.704 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.581 4.294 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.950 5.803 1.939 1.00 0.00 H new ATOM 1007 N VAL A 65 -4.918 5.372 6.059 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.643 5.908 7.205 1.00 0.00 C ATOM 1009 C VAL A 65 -4.672 6.201 8.352 1.00 0.00 C ATOM 1010 O VAL A 65 -4.396 5.331 9.184 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.744 4.944 7.694 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.589 5.592 8.784 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.619 4.490 6.534 1.00 0.00 C ATOM 0 H VAL A 65 -4.621 4.403 6.171 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.124 6.831 6.882 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.258 4.066 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.358 4.893 9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.953 5.855 9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.061 6.492 8.391 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.388 3.811 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.091 5.358 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.005 3.976 5.795 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.098 7.415 8.378 1.00 0.00 N ATOM 1024 CA PRO A 66 -3.081 7.786 9.361 1.00 0.00 C ATOM 1025 C PRO A 66 -3.635 7.853 10.779 1.00 0.00 C ATOM 1026 O PRO A 66 -4.847 7.943 10.983 1.00 0.00 O ATOM 1027 CB PRO A 66 -2.621 9.172 8.898 1.00 0.00 C ATOM 1028 CG PRO A 66 -3.771 9.716 8.125 1.00 0.00 C ATOM 1029 CD PRO A 66 -4.421 8.531 7.471 1.00 0.00 C ATOM 0 HA PRO A 66 -2.278 7.050 9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.377 9.811 9.746 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.725 9.106 8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.472 10.235 8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.435 10.438 7.381 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.498 8.668 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.028 8.360 6.469 1.00 0.00 H new ATOM 1037 N LEU A 67 -2.736 7.817 11.753 1.00 0.00 N ATOM 1038 CA LEU A 67 -3.116 7.858 13.159 1.00 0.00 C ATOM 1039 C LEU A 67 -3.697 9.222 13.530 1.00 0.00 C ATOM 1040 O LEU A 67 -4.484 9.337 14.471 1.00 0.00 O ATOM 1041 CB LEU A 67 -1.917 7.520 14.064 1.00 0.00 C ATOM 1042 CG LEU A 67 -0.747 8.519 14.064 1.00 0.00 C ATOM 1043 CD1 LEU A 67 0.209 8.198 15.200 1.00 0.00 C ATOM 1044 CD2 LEU A 67 0.007 8.498 12.740 1.00 0.00 C ATOM 0 H LEU A 67 -1.730 7.759 11.593 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.887 7.104 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.280 7.422 15.087 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.531 6.545 13.767 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.162 9.517 14.202 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.034 8.910 15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.320 8.265 16.151 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.599 7.188 15.073 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.826 9.216 12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.407 7.499 12.565 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.672 8.764 11.930 1.00 0.00 H new ATOM 1056 N GLU A 68 -3.304 10.247 12.782 1.00 0.00 N ATOM 1057 CA GLU A 68 -3.825 11.593 12.969 1.00 0.00 C ATOM 1058 C GLU A 68 -3.537 12.430 11.728 1.00 0.00 C ATOM 1059 O GLU A 68 -2.562 12.176 11.014 1.00 0.00 O ATOM 1060 CB GLU A 68 -3.203 12.252 14.209 1.00 0.00 C ATOM 1061 CG GLU A 68 -3.751 13.641 14.505 1.00 0.00 C ATOM 1062 CD GLU A 68 -3.147 14.259 15.748 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -3.702 14.054 16.845 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -2.126 14.967 15.635 1.00 0.00 O ATOM 0 H GLU A 68 -2.618 10.167 12.032 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.903 11.533 13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.375 11.612 15.074 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.124 12.319 14.071 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.559 14.291 13.652 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.833 13.582 14.624 1.00 0.00 H new ATOM 1071 N HIS A 69 -4.386 13.412 11.458 1.00 0.00 N ATOM 1072 CA HIS A 69 -4.171 14.307 10.334 1.00 0.00 C ATOM 1073 C HIS A 69 -3.257 15.454 10.758 1.00 0.00 C ATOM 1074 O HIS A 69 -3.717 16.541 11.108 1.00 0.00 O ATOM 1075 CB HIS A 69 -5.505 14.846 9.800 1.00 0.00 C ATOM 1076 CG HIS A 69 -5.365 15.696 8.572 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -5.618 17.051 8.560 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -5.002 15.372 7.311 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -5.415 17.520 7.345 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -5.038 16.524 6.568 1.00 0.00 N ATOM 0 H HIS A 69 -5.227 13.607 12.001 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.692 13.750 9.529 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.162 14.006 9.576 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.990 15.430 10.582 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.733 14.388 6.955 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.537 18.548 7.038 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.810 16.598 5.576 1.00 0.00 H new ATOM 1089 N HIS A 70 -1.963 15.181 10.771 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.970 16.174 11.151 1.00 0.00 C ATOM 1091 C HIS A 70 -0.703 17.129 9.992 1.00 0.00 C ATOM 1092 O HIS A 70 -0.574 16.703 8.845 1.00 0.00 O ATOM 1093 CB HIS A 70 0.329 15.486 11.587 1.00 0.00 C ATOM 1094 CG HIS A 70 1.421 16.432 11.986 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.588 16.572 11.271 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.518 17.288 13.029 1.00 0.00 C ATOM 1097 CE1 HIS A 70 3.354 17.469 11.856 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.730 17.923 12.925 1.00 0.00 N ATOM 0 H HIS A 70 -1.573 14.273 10.521 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.357 16.750 11.991 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.113 14.824 12.426 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.687 14.859 10.770 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.778 17.443 13.801 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.331 17.781 11.517 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.089 18.629 13.568 1.00 0.00 H new ATOM 1107 N HIS A 71 -0.634 18.415 10.297 1.00 0.00 N ATOM 1108 CA HIS A 71 -0.350 19.425 9.289 1.00 0.00 C ATOM 1109 C HIS A 71 1.136 19.456 8.975 1.00 0.00 C ATOM 1110 O HIS A 71 1.974 19.441 9.876 1.00 0.00 O ATOM 1111 CB HIS A 71 -0.807 20.805 9.759 1.00 0.00 C ATOM 1112 CG HIS A 71 -2.286 20.922 9.943 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -2.892 20.932 11.179 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -3.280 21.039 9.037 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -4.196 21.050 11.024 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -4.459 21.120 9.734 1.00 0.00 N ATOM 0 H HIS A 71 -0.771 18.785 11.237 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.901 19.164 8.385 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.314 21.039 10.702 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.480 21.551 9.035 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.168 21.064 7.963 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.926 21.084 11.820 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.387 21.218 9.322 1.00 0.00 H new ATOM 1125 N HIS A 72 1.457 19.494 7.695 1.00 0.00 N ATOM 1126 CA HIS A 72 2.839 19.526 7.257 1.00 0.00 C ATOM 1127 C HIS A 72 2.989 20.539 6.131 1.00 0.00 C ATOM 1128 O HIS A 72 2.671 20.251 4.978 1.00 0.00 O ATOM 1129 CB HIS A 72 3.274 18.127 6.796 1.00 0.00 C ATOM 1130 CG HIS A 72 4.734 18.002 6.457 1.00 0.00 C ATOM 1131 ND1 HIS A 72 5.688 17.598 7.366 1.00 0.00 N ATOM 1132 CD2 HIS A 72 5.398 18.210 5.293 1.00 0.00 C ATOM 1133 CE1 HIS A 72 6.869 17.563 6.778 1.00 0.00 C ATOM 1134 NE2 HIS A 72 6.722 17.930 5.522 1.00 0.00 N ATOM 0 H HIS A 72 0.775 19.503 6.937 1.00 0.00 H new ATOM 0 HA HIS A 72 3.480 19.826 8.086 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.035 17.410 7.581 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.687 17.849 5.921 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.965 18.536 4.359 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.800 17.281 7.248 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.470 17.996 4.832 1.00 0.00 H new ATOM 1143 N HIS A 73 3.436 21.738 6.473 1.00 0.00 N ATOM 1144 CA HIS A 73 3.626 22.787 5.476 1.00 0.00 C ATOM 1145 C HIS A 73 5.111 23.093 5.324 1.00 0.00 C ATOM 1146 O HIS A 73 5.516 23.914 4.504 1.00 0.00 O ATOM 1147 CB HIS A 73 2.821 24.051 5.833 1.00 0.00 C ATOM 1148 CG HIS A 73 3.325 24.817 7.023 1.00 0.00 C ATOM 1149 ND1 HIS A 73 3.024 24.485 8.327 1.00 0.00 N ATOM 1150 CD2 HIS A 73 4.109 25.919 7.092 1.00 0.00 C ATOM 1151 CE1 HIS A 73 3.602 25.345 9.142 1.00 0.00 C ATOM 1152 NE2 HIS A 73 4.263 26.222 8.420 1.00 0.00 N ATOM 0 H HIS A 73 3.673 22.010 7.427 1.00 0.00 H new ATOM 0 HA HIS A 73 3.248 22.431 4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.817 24.715 4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.786 23.763 6.019 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.533 26.458 6.258 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.542 25.331 10.220 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.804 27.004 8.789 1.00 0.00 H new ATOM 1161 N HIS A 74 5.913 22.433 6.147 1.00 0.00 N ATOM 1162 CA HIS A 74 7.362 22.484 6.039 1.00 0.00 C ATOM 1163 C HIS A 74 7.937 21.101 6.276 1.00 0.00 C ATOM 1164 O HIS A 74 7.890 20.632 7.434 1.00 0.00 O ATOM 1165 CB HIS A 74 7.975 23.477 7.033 1.00 0.00 C ATOM 1166 CG HIS A 74 8.031 24.884 6.530 1.00 0.00 C ATOM 1167 ND1 HIS A 74 8.772 25.256 5.433 1.00 0.00 N ATOM 1168 CD2 HIS A 74 7.439 26.014 6.980 1.00 0.00 C ATOM 1169 CE1 HIS A 74 8.637 26.551 5.231 1.00 0.00 C ATOM 1170 NE2 HIS A 74 7.833 27.035 6.155 1.00 0.00 N ATOM 1171 OXT HIS A 74 8.420 20.485 5.307 1.00 0.00 O ATOM 0 H HIS A 74 5.575 21.846 6.910 1.00 0.00 H new ATOM 0 HA HIS A 74 7.611 22.826 5.034 1.00 0.00 H new ATOM 0 HB2 HIS A 74 7.397 23.455 7.957 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.985 23.150 7.281 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.779 26.096 7.831 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.106 27.119 4.441 1.00 0.00 H new ATOM 0 HE2 HIS A 74 7.550 28.011 6.242 1.00 0.00 H new TER 1180 HIS A 74