USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 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 53 ASN : amide:sc= -0.377! K(o=0.78!,f=-1.4) USER MOD Set 1.2: A 58 SER OG : rot -177:sc= 1.16 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.196 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 1.2 K(o=1.2,f=-0.076) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 170:sc= 0.00412 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= -0.0138 (180deg=-0.126) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc=-0.00381 (180deg=-0.106) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.8!) USER MOD Single : A 28 TYR OH : rot -60:sc= 0.454 USER MOD Single : A 30 HIS : no HD1:sc= -3.05! C(o=-3!,f=-6.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.657 K(o=0.66,f=-10!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= 0.288 (180deg=-0.311) USER MOD Single : A 47 THR OG1 : rot -8:sc= 0.318 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 84:sc= 1.23 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.0011) USER MOD Single : A 70 HIS :FLIP no HD1:sc= 0.00461 F(o=-0.61,f=0.0046) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 72 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.31) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.184 -7.510 -3.811 1.00 0.00 N ATOM 2 CA MET A 1 -13.611 -6.090 -3.842 1.00 0.00 C ATOM 3 C MET A 1 -12.528 -5.227 -3.196 1.00 0.00 C ATOM 4 O MET A 1 -11.440 -5.726 -2.910 1.00 0.00 O ATOM 5 CB MET A 1 -14.944 -5.942 -3.096 1.00 0.00 C ATOM 6 CG MET A 1 -15.715 -4.676 -3.434 1.00 0.00 C ATOM 7 SD MET A 1 -16.159 -4.581 -5.179 1.00 0.00 S ATOM 8 CE MET A 1 -17.057 -3.031 -5.212 1.00 0.00 C ATOM 0 H1 MET A 1 -13.159 -7.886 -4.780 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.236 -7.578 -3.389 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.857 -8.063 -3.242 1.00 0.00 H new ATOM 0 HA MET A 1 -13.753 -5.762 -4.872 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.570 -6.805 -3.321 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.750 -5.960 -2.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.621 -4.634 -2.829 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.114 -3.807 -3.168 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.399 -2.830 -6.227 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.917 -3.094 -4.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.402 -2.224 -4.883 1.00 0.00 H new ATOM 20 N ALA A 2 -12.809 -3.942 -2.981 1.00 0.00 N ATOM 21 CA ALA A 2 -11.866 -3.050 -2.311 1.00 0.00 C ATOM 22 C ALA A 2 -11.477 -3.603 -0.942 1.00 0.00 C ATOM 23 O ALA A 2 -12.341 -3.934 -0.127 1.00 0.00 O ATOM 24 CB ALA A 2 -12.468 -1.660 -2.175 1.00 0.00 C ATOM 0 H ALA A 2 -13.683 -3.496 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.962 -2.982 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.757 -1.003 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.694 -1.263 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.385 -1.716 -1.588 1.00 0.00 H new ATOM 30 N MET A 3 -10.180 -3.706 -0.695 1.00 0.00 N ATOM 31 CA MET A 3 -9.683 -4.336 0.519 1.00 0.00 C ATOM 32 C MET A 3 -8.882 -3.353 1.361 1.00 0.00 C ATOM 33 O MET A 3 -8.477 -2.291 0.887 1.00 0.00 O ATOM 34 CB MET A 3 -8.803 -5.543 0.178 1.00 0.00 C ATOM 35 CG MET A 3 -9.551 -6.702 -0.468 1.00 0.00 C ATOM 36 SD MET A 3 -8.476 -8.109 -0.810 1.00 0.00 S ATOM 37 CE MET A 3 -9.645 -9.266 -1.520 1.00 0.00 C ATOM 0 H MET A 3 -9.452 -3.361 -1.320 1.00 0.00 H new ATOM 0 HA MET A 3 -10.548 -4.668 1.093 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.008 -5.220 -0.494 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.325 -5.898 1.091 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.361 -7.019 0.188 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.008 -6.363 -1.398 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.129 -10.189 -1.784 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.429 -9.483 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.090 -8.831 -2.415 1.00 0.00 H new ATOM 47 N ASN A 4 -8.666 -3.716 2.612 1.00 0.00 N ATOM 48 CA ASN A 4 -7.834 -2.943 3.513 1.00 0.00 C ATOM 49 C ASN A 4 -6.606 -3.756 3.892 1.00 0.00 C ATOM 50 O ASN A 4 -6.645 -4.989 3.877 1.00 0.00 O ATOM 51 CB ASN A 4 -8.627 -2.560 4.763 1.00 0.00 C ATOM 52 CG ASN A 4 -9.057 -3.764 5.579 1.00 0.00 C ATOM 53 OD1 ASN A 4 -10.064 -4.402 5.278 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.320 -4.062 6.637 1.00 0.00 N ATOM 0 H ASN A 4 -9.063 -4.556 3.032 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.515 -2.028 3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.020 -1.903 5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.510 -1.993 4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.581 -4.845 7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.491 -3.508 6.853 1.00 0.00 H new ATOM 61 N GLY A 5 -5.523 -3.073 4.216 1.00 0.00 N ATOM 62 CA GLY A 5 -4.299 -3.761 4.560 1.00 0.00 C ATOM 63 C GLY A 5 -3.418 -2.949 5.483 1.00 0.00 C ATOM 64 O GLY A 5 -3.783 -1.841 5.885 1.00 0.00 O ATOM 0 H GLY A 5 -5.468 -2.055 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.542 -4.711 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.748 -3.993 3.649 1.00 0.00 H new ATOM 68 N THR A 6 -2.262 -3.501 5.819 1.00 0.00 N ATOM 69 CA THR A 6 -1.303 -2.822 6.672 1.00 0.00 C ATOM 70 C THR A 6 0.058 -2.753 5.983 1.00 0.00 C ATOM 71 O THR A 6 0.514 -3.730 5.383 1.00 0.00 O ATOM 72 CB THR A 6 -1.141 -3.544 8.021 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.421 -3.974 8.507 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.493 -2.632 9.050 1.00 0.00 C ATOM 0 H THR A 6 -1.965 -4.426 5.510 1.00 0.00 H new ATOM 0 HA THR A 6 -1.682 -1.816 6.855 1.00 0.00 H new ATOM 0 HB THR A 6 -0.498 -4.410 7.865 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.308 -4.434 9.365 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.389 -3.165 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.492 -2.326 8.696 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.116 -1.750 9.198 1.00 0.00 H new ATOM 82 N ILE A 7 0.691 -1.599 6.071 1.00 0.00 N ATOM 83 CA ILE A 7 1.983 -1.376 5.434 1.00 0.00 C ATOM 84 C ILE A 7 3.091 -2.035 6.244 1.00 0.00 C ATOM 85 O ILE A 7 3.341 -1.651 7.387 1.00 0.00 O ATOM 86 CB ILE A 7 2.281 0.130 5.302 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.096 0.848 4.651 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.549 0.350 4.484 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.244 2.352 4.599 1.00 0.00 C ATOM 0 H ILE A 7 0.331 -0.792 6.581 1.00 0.00 H new ATOM 0 HA ILE A 7 1.944 -1.817 4.438 1.00 0.00 H new ATOM 0 HB ILE A 7 2.436 0.544 6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.968 0.470 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.188 0.601 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.747 1.419 4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.390 -0.136 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.418 -0.075 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.365 2.788 4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.341 2.743 5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.133 2.610 4.024 1.00 0.00 H new ATOM 101 N THR A 8 3.748 -3.025 5.660 1.00 0.00 N ATOM 102 CA THR A 8 4.764 -3.772 6.372 1.00 0.00 C ATOM 103 C THR A 8 6.162 -3.368 5.931 1.00 0.00 C ATOM 104 O THR A 8 7.077 -3.252 6.744 1.00 0.00 O ATOM 105 CB THR A 8 4.576 -5.283 6.166 1.00 0.00 C ATOM 106 OG1 THR A 8 4.261 -5.552 4.794 1.00 0.00 O ATOM 107 CG2 THR A 8 3.475 -5.825 7.066 1.00 0.00 C ATOM 0 H THR A 8 3.594 -3.327 4.698 1.00 0.00 H new ATOM 0 HA THR A 8 4.654 -3.539 7.431 1.00 0.00 H new ATOM 0 HB THR A 8 5.508 -5.782 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.301 -6.518 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.363 -6.896 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.736 -5.645 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.536 -5.322 6.835 1.00 0.00 H new ATOM 115 N THR A 9 6.321 -3.160 4.639 1.00 0.00 N ATOM 116 CA THR A 9 7.608 -2.786 4.083 1.00 0.00 C ATOM 117 C THR A 9 7.440 -1.680 3.049 1.00 0.00 C ATOM 118 O THR A 9 6.815 -1.885 2.014 1.00 0.00 O ATOM 119 CB THR A 9 8.280 -4.007 3.435 1.00 0.00 C ATOM 120 OG1 THR A 9 8.296 -5.091 4.375 1.00 0.00 O ATOM 121 CG2 THR A 9 9.702 -3.689 2.997 1.00 0.00 C ATOM 0 H THR A 9 5.572 -3.244 3.951 1.00 0.00 H new ATOM 0 HA THR A 9 8.240 -2.418 4.892 1.00 0.00 H new ATOM 0 HB THR A 9 7.709 -4.285 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.722 -5.873 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.149 -4.573 2.543 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.686 -2.877 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.291 -3.389 3.864 1.00 0.00 H new ATOM 129 N TRP A 10 7.982 -0.510 3.340 1.00 0.00 N ATOM 130 CA TRP A 10 7.854 0.631 2.442 1.00 0.00 C ATOM 131 C TRP A 10 9.207 1.292 2.180 1.00 0.00 C ATOM 132 O TRP A 10 10.011 1.479 3.095 1.00 0.00 O ATOM 133 CB TRP A 10 6.866 1.655 3.018 1.00 0.00 C ATOM 134 CG TRP A 10 6.712 2.883 2.173 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.175 4.136 2.458 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.061 2.976 0.901 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.843 5.001 1.446 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.164 4.313 0.477 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.403 2.057 0.077 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.631 4.753 -0.732 1.00 0.00 C ATOM 141 CZ3 TRP A 10 4.874 2.497 -1.121 1.00 0.00 C ATOM 142 CH2 TRP A 10 4.994 3.833 -1.516 1.00 0.00 C ATOM 0 H TRP A 10 8.515 -0.323 4.189 1.00 0.00 H new ATOM 0 HA TRP A 10 7.471 0.263 1.490 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.892 1.181 3.135 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.199 1.949 4.013 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.722 4.406 3.349 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.066 5.996 1.420 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.310 1.022 0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.718 5.785 -1.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.359 1.798 -1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.574 4.144 -2.461 1.00 0.00 H new ATOM 153 N PHE A 11 9.454 1.629 0.918 1.00 0.00 N ATOM 154 CA PHE A 11 10.665 2.329 0.531 1.00 0.00 C ATOM 155 C PHE A 11 10.315 3.602 -0.230 1.00 0.00 C ATOM 156 O PHE A 11 10.062 3.560 -1.435 1.00 0.00 O ATOM 157 CB PHE A 11 11.544 1.445 -0.359 1.00 0.00 C ATOM 158 CG PHE A 11 11.915 0.120 0.244 1.00 0.00 C ATOM 159 CD1 PHE A 11 12.923 0.031 1.190 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.263 -1.041 -0.146 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.273 -1.190 1.737 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.607 -2.262 0.398 1.00 0.00 C ATOM 163 CZ PHE A 11 12.615 -2.338 1.340 1.00 0.00 C ATOM 0 H PHE A 11 8.823 1.425 0.143 1.00 0.00 H new ATOM 0 HA PHE A 11 11.212 2.579 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.023 1.268 -1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.458 1.989 -0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.441 0.925 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.477 -0.989 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.060 -1.246 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.089 -3.157 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.888 -3.293 1.765 1.00 0.00 H new ATOM 173 N LYS A 12 10.298 4.730 0.468 1.00 0.00 N ATOM 174 CA LYS A 12 9.982 6.007 -0.162 1.00 0.00 C ATOM 175 C LYS A 12 11.090 6.398 -1.132 1.00 0.00 C ATOM 176 O LYS A 12 10.840 7.015 -2.166 1.00 0.00 O ATOM 177 CB LYS A 12 9.796 7.098 0.895 1.00 0.00 C ATOM 178 CG LYS A 12 8.489 7.862 0.758 1.00 0.00 C ATOM 179 CD LYS A 12 8.427 8.669 -0.530 1.00 0.00 C ATOM 180 CE LYS A 12 7.049 9.287 -0.742 1.00 0.00 C ATOM 181 NZ LYS A 12 6.617 10.114 0.420 1.00 0.00 N ATOM 0 H LYS A 12 10.498 4.788 1.466 1.00 0.00 H new ATOM 0 HA LYS A 12 9.048 5.900 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.840 6.644 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.627 7.801 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.655 7.160 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.370 8.531 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.179 9.457 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.671 8.025 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.064 9.905 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.320 8.495 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.761 10.647 0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.413 9.495 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.376 10.778 0.675 1.00 0.00 H new ATOM 195 N ASP A 13 12.315 6.017 -0.784 1.00 0.00 N ATOM 196 CA ASP A 13 13.481 6.268 -1.630 1.00 0.00 C ATOM 197 C ASP A 13 13.372 5.510 -2.954 1.00 0.00 C ATOM 198 O ASP A 13 13.784 6.003 -4.006 1.00 0.00 O ATOM 199 CB ASP A 13 14.759 5.854 -0.888 1.00 0.00 C ATOM 200 CG ASP A 13 15.978 5.815 -1.790 1.00 0.00 C ATOM 201 OD1 ASP A 13 16.592 6.873 -2.023 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.337 4.714 -2.259 1.00 0.00 O ATOM 0 H ASP A 13 12.529 5.529 0.086 1.00 0.00 H new ATOM 0 HA ASP A 13 13.522 7.334 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.940 6.551 -0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.612 4.871 -0.442 1.00 0.00 H new ATOM 207 N LYS A 14 12.802 4.315 -2.895 1.00 0.00 N ATOM 208 CA LYS A 14 12.671 3.471 -4.073 1.00 0.00 C ATOM 209 C LYS A 14 11.369 3.759 -4.817 1.00 0.00 C ATOM 210 O LYS A 14 11.293 3.605 -6.038 1.00 0.00 O ATOM 211 CB LYS A 14 12.741 1.995 -3.671 1.00 0.00 C ATOM 212 CG LYS A 14 14.124 1.533 -3.216 1.00 0.00 C ATOM 213 CD LYS A 14 15.035 1.207 -4.397 1.00 0.00 C ATOM 214 CE LYS A 14 15.450 2.450 -5.174 1.00 0.00 C ATOM 215 NZ LYS A 14 16.123 2.103 -6.453 1.00 0.00 N ATOM 0 H LYS A 14 12.422 3.907 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 14 13.497 3.696 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.028 1.815 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.427 1.385 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.584 2.311 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.022 0.652 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.926 0.695 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.522 0.517 -5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.571 3.060 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.121 3.054 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.390 2.975 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.976 1.542 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.474 1.549 -7.047 1.00 0.00 H new ATOM 229 N GLY A 15 10.350 4.171 -4.081 1.00 0.00 N ATOM 230 CA GLY A 15 9.092 4.534 -4.698 1.00 0.00 C ATOM 231 C GLY A 15 8.093 3.397 -4.705 1.00 0.00 C ATOM 232 O GLY A 15 7.043 3.488 -5.343 1.00 0.00 O ATOM 0 H GLY A 15 10.371 4.261 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.664 5.384 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.275 4.857 -5.723 1.00 0.00 H new ATOM 236 N PHE A 16 8.407 2.323 -3.996 1.00 0.00 N ATOM 237 CA PHE A 16 7.515 1.177 -3.935 1.00 0.00 C ATOM 238 C PHE A 16 7.552 0.530 -2.561 1.00 0.00 C ATOM 239 O PHE A 16 8.341 0.920 -1.697 1.00 0.00 O ATOM 240 CB PHE A 16 7.855 0.148 -5.024 1.00 0.00 C ATOM 241 CG PHE A 16 9.231 -0.465 -4.923 1.00 0.00 C ATOM 242 CD1 PHE A 16 9.462 -1.567 -4.110 1.00 0.00 C ATOM 243 CD2 PHE A 16 10.289 0.049 -5.656 1.00 0.00 C ATOM 244 CE1 PHE A 16 10.720 -2.138 -4.028 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.549 -0.518 -5.576 1.00 0.00 C ATOM 246 CZ PHE A 16 11.763 -1.612 -4.762 1.00 0.00 C ATOM 0 H PHE A 16 9.268 2.222 -3.458 1.00 0.00 H new ATOM 0 HA PHE A 16 6.503 1.539 -4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.115 -0.652 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.759 0.628 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.649 -1.984 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.128 0.903 -6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.885 -2.994 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.365 -0.104 -6.150 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.746 -2.056 -4.700 1.00 0.00 H new ATOM 256 N GLY A 17 6.693 -0.456 -2.366 1.00 0.00 N ATOM 257 CA GLY A 17 6.619 -1.128 -1.092 1.00 0.00 C ATOM 258 C GLY A 17 5.724 -2.345 -1.143 1.00 0.00 C ATOM 259 O GLY A 17 5.258 -2.738 -2.216 1.00 0.00 O ATOM 0 H GLY A 17 6.044 -0.803 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.620 -1.427 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.245 -0.435 -0.338 1.00 0.00 H new ATOM 263 N PHE A 18 5.479 -2.933 0.016 1.00 0.00 N ATOM 264 CA PHE A 18 4.677 -4.132 0.121 1.00 0.00 C ATOM 265 C PHE A 18 3.698 -3.977 1.270 1.00 0.00 C ATOM 266 O PHE A 18 4.087 -3.645 2.395 1.00 0.00 O ATOM 267 CB PHE A 18 5.570 -5.353 0.357 1.00 0.00 C ATOM 268 CG PHE A 18 6.644 -5.524 -0.684 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.360 -6.105 -1.911 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.938 -5.095 -0.436 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.345 -6.252 -2.868 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.926 -5.241 -1.390 1.00 0.00 C ATOM 273 CZ PHE A 18 8.629 -5.819 -2.607 1.00 0.00 C ATOM 0 H PHE A 18 5.832 -2.589 0.909 1.00 0.00 H new ATOM 0 HA PHE A 18 4.130 -4.280 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.037 -5.267 1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.949 -6.249 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.357 -6.446 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.177 -4.641 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.111 -6.705 -3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.931 -4.903 -1.183 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.400 -5.932 -3.354 1.00 0.00 H new ATOM 283 N ILE A 19 2.433 -4.192 0.981 1.00 0.00 N ATOM 284 CA ILE A 19 1.391 -4.040 1.977 1.00 0.00 C ATOM 285 C ILE A 19 0.600 -5.332 2.099 1.00 0.00 C ATOM 286 O ILE A 19 0.206 -5.929 1.093 1.00 0.00 O ATOM 287 CB ILE A 19 0.452 -2.859 1.635 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.221 -1.534 1.704 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.756 -2.828 2.562 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.401 -0.326 1.299 1.00 0.00 C ATOM 0 H ILE A 19 2.098 -4.474 0.060 1.00 0.00 H new ATOM 0 HA ILE A 19 1.863 -3.819 2.934 1.00 0.00 H new ATOM 0 HB ILE A 19 0.086 -3.000 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.585 -1.389 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.097 -1.599 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.397 -1.987 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.316 -3.757 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.421 -2.717 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.014 0.572 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.059 -0.447 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.461 -0.233 1.960 1.00 0.00 H new ATOM 302 N LYS A 20 0.406 -5.770 3.329 1.00 0.00 N ATOM 303 CA LYS A 20 -0.317 -7.000 3.600 1.00 0.00 C ATOM 304 C LYS A 20 -1.796 -6.718 3.781 1.00 0.00 C ATOM 305 O LYS A 20 -2.180 -5.966 4.674 1.00 0.00 O ATOM 306 CB LYS A 20 0.230 -7.668 4.859 1.00 0.00 C ATOM 307 CG LYS A 20 1.654 -8.175 4.709 1.00 0.00 C ATOM 308 CD LYS A 20 1.736 -9.316 3.712 1.00 0.00 C ATOM 309 CE LYS A 20 0.881 -10.497 4.142 1.00 0.00 C ATOM 310 NZ LYS A 20 1.345 -11.087 5.427 1.00 0.00 N ATOM 0 H LYS A 20 0.742 -5.288 4.163 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.183 -7.668 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.192 -6.956 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.417 -8.503 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.299 -7.359 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.026 -8.509 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.410 -8.968 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.773 -9.635 3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.155 -10.175 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.902 -11.261 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.835 -11.976 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.366 -11.279 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.159 -10.420 6.203 1.00 0.00 H new ATOM 324 N ASP A 21 -2.618 -7.315 2.937 1.00 0.00 N ATOM 325 CA ASP A 21 -4.057 -7.143 3.047 1.00 0.00 C ATOM 326 C ASP A 21 -4.608 -7.987 4.183 1.00 0.00 C ATOM 327 O ASP A 21 -3.875 -8.735 4.834 1.00 0.00 O ATOM 328 CB ASP A 21 -4.775 -7.493 1.740 1.00 0.00 C ATOM 329 CG ASP A 21 -4.424 -8.869 1.210 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.590 -9.863 1.949 1.00 0.00 O ATOM 331 OD2 ASP A 21 -3.998 -8.962 0.045 1.00 0.00 O ATOM 0 H ASP A 21 -2.318 -7.920 2.172 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.242 -6.090 3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.852 -7.437 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.525 -6.747 0.986 1.00 0.00 H new ATOM 336 N GLU A 22 -5.905 -7.867 4.409 1.00 0.00 N ATOM 337 CA GLU A 22 -6.559 -8.566 5.506 1.00 0.00 C ATOM 338 C GLU A 22 -6.867 -10.017 5.136 1.00 0.00 C ATOM 339 O GLU A 22 -7.305 -10.799 5.982 1.00 0.00 O ATOM 340 CB GLU A 22 -7.844 -7.839 5.902 1.00 0.00 C ATOM 341 CG GLU A 22 -8.153 -7.917 7.387 1.00 0.00 C ATOM 342 CD GLU A 22 -9.466 -7.255 7.739 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.522 -7.906 7.573 1.00 0.00 O ATOM 344 OE2 GLU A 22 -9.452 -6.086 8.181 1.00 0.00 O ATOM 0 H GLU A 22 -6.530 -7.290 3.846 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.875 -8.574 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.764 -6.792 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.678 -8.263 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.183 -8.962 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.348 -7.442 7.948 1.00 0.00 H new ATOM 351 N ASN A 23 -6.621 -10.376 3.883 1.00 0.00 N ATOM 352 CA ASN A 23 -6.858 -11.739 3.419 1.00 0.00 C ATOM 353 C ASN A 23 -5.622 -12.590 3.683 1.00 0.00 C ATOM 354 O ASN A 23 -5.719 -13.781 3.991 1.00 0.00 O ATOM 355 CB ASN A 23 -7.209 -11.748 1.924 1.00 0.00 C ATOM 356 CG ASN A 23 -7.625 -13.119 1.426 1.00 0.00 C ATOM 357 OD1 ASN A 23 -6.801 -13.906 0.961 1.00 0.00 O ATOM 358 ND2 ASN A 23 -8.909 -13.417 1.530 1.00 0.00 N ATOM 0 H ASN A 23 -6.258 -9.744 3.169 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.703 -12.158 3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.017 -11.039 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.348 -11.404 1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.248 -14.327 1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.560 -12.737 1.921 1.00 0.00 H new ATOM 365 N GLY A 24 -4.458 -11.970 3.556 1.00 0.00 N ATOM 366 CA GLY A 24 -3.223 -12.628 3.921 1.00 0.00 C ATOM 367 C GLY A 24 -2.238 -12.717 2.774 1.00 0.00 C ATOM 368 O GLY A 24 -1.350 -13.571 2.785 1.00 0.00 O ATOM 0 H GLY A 24 -4.348 -11.019 3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.761 -12.089 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.446 -13.633 4.280 1.00 0.00 H new ATOM 372 N ASP A 25 -2.372 -11.844 1.786 1.00 0.00 N ATOM 373 CA ASP A 25 -1.453 -11.852 0.655 1.00 0.00 C ATOM 374 C ASP A 25 -0.521 -10.649 0.717 1.00 0.00 C ATOM 375 O ASP A 25 -0.768 -9.697 1.460 1.00 0.00 O ATOM 376 CB ASP A 25 -2.219 -11.866 -0.674 1.00 0.00 C ATOM 377 CG ASP A 25 -1.309 -12.108 -1.865 1.00 0.00 C ATOM 378 OD1 ASP A 25 -0.706 -13.202 -1.940 1.00 0.00 O ATOM 379 OD2 ASP A 25 -1.177 -11.209 -2.717 1.00 0.00 O ATOM 0 H ASP A 25 -3.098 -11.129 1.743 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.854 -12.761 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.984 -12.642 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.735 -10.915 -0.802 1.00 0.00 H new ATOM 384 N ASN A 26 0.557 -10.708 -0.050 1.00 0.00 N ATOM 385 CA ASN A 26 1.518 -9.617 -0.113 1.00 0.00 C ATOM 386 C ASN A 26 1.552 -9.051 -1.519 1.00 0.00 C ATOM 387 O ASN A 26 1.959 -9.728 -2.463 1.00 0.00 O ATOM 388 CB ASN A 26 2.913 -10.095 0.292 1.00 0.00 C ATOM 389 CG ASN A 26 3.953 -8.988 0.256 1.00 0.00 C ATOM 390 OD1 ASN A 26 4.168 -8.295 1.249 1.00 0.00 O ATOM 391 ND2 ASN A 26 4.619 -8.823 -0.880 1.00 0.00 N ATOM 0 H ASN A 26 0.789 -11.506 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 26 1.209 -8.840 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.870 -10.513 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.223 -10.899 -0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.337 -8.102 -0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.413 -9.417 -1.683 1.00 0.00 H new ATOM 398 N ARG A 27 1.150 -7.804 -1.646 1.00 0.00 N ATOM 399 CA ARG A 27 0.982 -7.187 -2.951 1.00 0.00 C ATOM 400 C ARG A 27 2.032 -6.115 -3.177 1.00 0.00 C ATOM 401 O ARG A 27 2.495 -5.473 -2.232 1.00 0.00 O ATOM 402 CB ARG A 27 -0.424 -6.602 -3.063 1.00 0.00 C ATOM 403 CG ARG A 27 -1.500 -7.615 -2.721 1.00 0.00 C ATOM 404 CD ARG A 27 -2.891 -7.032 -2.860 1.00 0.00 C ATOM 405 NE ARG A 27 -3.908 -7.967 -2.392 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.847 -8.502 -3.164 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.893 -8.214 -4.461 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.732 -9.336 -2.638 1.00 0.00 N ATOM 0 H ARG A 27 0.932 -7.193 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 27 1.111 -7.946 -3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.512 -5.744 -2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.583 -6.236 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.403 -8.482 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.355 -7.968 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.957 -6.105 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.079 -6.780 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.897 -8.227 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.205 -7.580 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.616 -8.627 -5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.690 -9.564 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.455 -9.750 -3.226 1.00 0.00 H new ATOM 422 N TYR A 28 2.414 -5.944 -4.430 1.00 0.00 N ATOM 423 CA TYR A 28 3.392 -4.938 -4.795 1.00 0.00 C ATOM 424 C TYR A 28 2.714 -3.582 -4.910 1.00 0.00 C ATOM 425 O TYR A 28 1.761 -3.418 -5.670 1.00 0.00 O ATOM 426 CB TYR A 28 4.062 -5.318 -6.119 1.00 0.00 C ATOM 427 CG TYR A 28 5.167 -4.381 -6.563 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.479 -4.577 -6.150 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.901 -3.312 -7.410 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.493 -3.735 -6.568 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.909 -2.463 -7.829 1.00 0.00 C ATOM 432 CZ TYR A 28 7.203 -2.680 -7.408 1.00 0.00 C ATOM 433 OH TYR A 28 8.214 -1.843 -7.829 1.00 0.00 O ATOM 0 H TYR A 28 2.059 -6.492 -5.214 1.00 0.00 H new ATOM 0 HA TYR A 28 4.159 -4.882 -4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.472 -6.324 -6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.301 -5.355 -6.898 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.711 -5.401 -5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.889 -3.141 -7.747 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.508 -3.903 -6.238 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.683 -1.634 -8.483 1.00 0.00 H new ATOM 0 HH TYR A 28 8.633 -1.419 -7.051 1.00 0.00 H new ATOM 443 N PHE A 29 3.189 -2.625 -4.135 1.00 0.00 N ATOM 444 CA PHE A 29 2.651 -1.280 -4.186 1.00 0.00 C ATOM 445 C PHE A 29 3.673 -0.320 -4.763 1.00 0.00 C ATOM 446 O PHE A 29 4.877 -0.557 -4.688 1.00 0.00 O ATOM 447 CB PHE A 29 2.216 -0.815 -2.796 1.00 0.00 C ATOM 448 CG PHE A 29 0.953 -1.469 -2.310 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.936 -2.805 -1.945 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.222 -0.743 -2.224 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.227 -3.404 -1.504 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.389 -1.335 -1.783 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.392 -2.668 -1.423 1.00 0.00 C ATOM 0 H PHE A 29 3.946 -2.755 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 29 1.775 -1.291 -4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.018 -1.020 -2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.073 0.265 -2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.844 -3.386 -2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.226 0.300 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.225 -4.447 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.298 -0.756 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.304 -3.134 -1.079 1.00 0.00 H new ATOM 463 N HIS A 30 3.179 0.761 -5.330 1.00 0.00 N ATOM 464 CA HIS A 30 4.021 1.754 -5.976 1.00 0.00 C ATOM 465 C HIS A 30 3.466 3.141 -5.669 1.00 0.00 C ATOM 466 O HIS A 30 2.262 3.363 -5.788 1.00 0.00 O ATOM 467 CB HIS A 30 4.067 1.483 -7.490 1.00 0.00 C ATOM 468 CG HIS A 30 5.053 2.319 -8.253 1.00 0.00 C ATOM 469 ND1 HIS A 30 4.691 3.112 -9.315 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.391 2.470 -8.117 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.755 3.724 -9.794 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.806 3.351 -9.089 1.00 0.00 N ATOM 0 H HIS A 30 2.183 0.979 -5.358 1.00 0.00 H new ATOM 0 HA HIS A 30 5.042 1.698 -5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.305 0.431 -7.649 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.073 1.651 -7.905 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.018 1.988 -7.381 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.765 4.415 -10.624 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.765 3.663 -9.239 1.00 0.00 H new ATOM 481 N VAL A 31 4.350 4.057 -5.275 1.00 0.00 N ATOM 482 CA VAL A 31 3.966 5.373 -4.741 1.00 0.00 C ATOM 483 C VAL A 31 2.953 6.123 -5.622 1.00 0.00 C ATOM 484 O VAL A 31 2.137 6.893 -5.115 1.00 0.00 O ATOM 485 CB VAL A 31 5.219 6.262 -4.531 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.897 6.580 -5.859 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.862 7.541 -3.783 1.00 0.00 C ATOM 0 H VAL A 31 5.359 3.911 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 31 3.477 5.175 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 31 5.926 5.700 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.772 7.205 -5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.205 5.652 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.199 7.111 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.758 8.146 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.126 8.105 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.446 7.288 -2.808 1.00 0.00 H new ATOM 497 N ILE A 32 2.992 5.883 -6.927 1.00 0.00 N ATOM 498 CA ILE A 32 2.135 6.608 -7.861 1.00 0.00 C ATOM 499 C ILE A 32 0.660 6.252 -7.651 1.00 0.00 C ATOM 500 O ILE A 32 -0.230 7.070 -7.866 1.00 0.00 O ATOM 501 CB ILE A 32 2.539 6.324 -9.326 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.755 7.216 -10.274 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.299 4.865 -9.680 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.347 7.295 -11.665 1.00 0.00 C ATOM 0 H ILE A 32 3.605 5.194 -7.363 1.00 0.00 H new ATOM 0 HA ILE A 32 2.269 7.671 -7.662 1.00 0.00 H new ATOM 0 HB ILE A 32 3.603 6.539 -9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.732 6.846 -10.345 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.702 8.220 -9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.591 4.689 -10.715 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.892 4.229 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.242 4.630 -9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.734 7.949 -12.285 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.360 7.694 -11.607 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.374 6.299 -12.106 1.00 0.00 H new ATOM 516 N LYS A 33 0.426 5.035 -7.189 1.00 0.00 N ATOM 517 CA LYS A 33 -0.925 4.516 -7.003 1.00 0.00 C ATOM 518 C LYS A 33 -1.520 4.987 -5.678 1.00 0.00 C ATOM 519 O LYS A 33 -2.678 4.708 -5.375 1.00 0.00 O ATOM 520 CB LYS A 33 -0.911 2.983 -7.034 1.00 0.00 C ATOM 521 CG LYS A 33 -0.302 2.389 -8.295 1.00 0.00 C ATOM 522 CD LYS A 33 -1.111 2.736 -9.535 1.00 0.00 C ATOM 523 CE LYS A 33 -0.461 2.182 -10.792 1.00 0.00 C ATOM 524 NZ LYS A 33 -1.224 2.533 -12.016 1.00 0.00 N ATOM 0 H LYS A 33 1.163 4.378 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.542 4.896 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.356 2.619 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.934 2.620 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.718 2.756 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.241 1.305 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.120 2.335 -9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.205 3.819 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.555 2.569 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.384 1.098 -10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.745 2.135 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.186 2.142 -11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.276 3.568 -12.108 1.00 0.00 H new ATOM 538 N VAL A 34 -0.721 5.690 -4.888 1.00 0.00 N ATOM 539 CA VAL A 34 -1.158 6.149 -3.581 1.00 0.00 C ATOM 540 C VAL A 34 -1.669 7.583 -3.671 1.00 0.00 C ATOM 541 O VAL A 34 -1.034 8.437 -4.291 1.00 0.00 O ATOM 542 CB VAL A 34 -0.014 6.074 -2.547 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.529 6.378 -1.150 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.662 4.710 -2.586 1.00 0.00 C ATOM 0 H VAL A 34 0.234 5.954 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.964 5.493 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 34 0.728 6.829 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.294 6.319 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.956 7.381 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.296 5.652 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.465 4.681 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.069 3.935 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.075 4.537 -3.580 1.00 0.00 H new ATOM 554 N ALA A 35 -2.825 7.835 -3.069 1.00 0.00 N ATOM 555 CA ALA A 35 -3.422 9.163 -3.077 1.00 0.00 C ATOM 556 C ALA A 35 -2.775 10.055 -2.027 1.00 0.00 C ATOM 557 O ALA A 35 -2.478 11.221 -2.280 1.00 0.00 O ATOM 558 CB ALA A 35 -4.922 9.070 -2.843 1.00 0.00 C ATOM 0 H ALA A 35 -3.369 7.133 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.248 9.609 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.354 10.071 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.377 8.471 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.111 8.601 -1.877 1.00 0.00 H new ATOM 564 N ASN A 36 -2.549 9.498 -0.847 1.00 0.00 N ATOM 565 CA ASN A 36 -1.940 10.242 0.247 1.00 0.00 C ATOM 566 C ASN A 36 -0.703 9.523 0.787 1.00 0.00 C ATOM 567 O ASN A 36 -0.730 8.948 1.873 1.00 0.00 O ATOM 568 CB ASN A 36 -2.956 10.484 1.376 1.00 0.00 C ATOM 569 CG ASN A 36 -3.818 9.267 1.687 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.446 8.126 1.411 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.983 9.505 2.264 1.00 0.00 N ATOM 0 H ASN A 36 -2.779 8.530 -0.621 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.624 11.208 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.421 10.781 2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.603 11.317 1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.606 8.731 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.260 10.463 2.479 1.00 0.00 H new ATOM 578 N PRO A 37 0.411 9.555 0.034 1.00 0.00 N ATOM 579 CA PRO A 37 1.651 8.876 0.429 1.00 0.00 C ATOM 580 C PRO A 37 2.331 9.557 1.613 1.00 0.00 C ATOM 581 O PRO A 37 3.196 8.977 2.270 1.00 0.00 O ATOM 582 CB PRO A 37 2.528 8.975 -0.821 1.00 0.00 C ATOM 583 CG PRO A 37 2.028 10.182 -1.537 1.00 0.00 C ATOM 584 CD PRO A 37 0.552 10.250 -1.259 1.00 0.00 C ATOM 0 HA PRO A 37 1.468 7.852 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.581 9.077 -0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.439 8.082 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.533 11.081 -1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.220 10.108 -2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.202 11.281 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.027 9.761 -2.043 1.00 0.00 H new ATOM 592 N ASP A 38 1.918 10.786 1.885 1.00 0.00 N ATOM 593 CA ASP A 38 2.463 11.575 2.975 1.00 0.00 C ATOM 594 C ASP A 38 2.025 11.035 4.333 1.00 0.00 C ATOM 595 O ASP A 38 2.535 11.454 5.368 1.00 0.00 O ATOM 596 CB ASP A 38 2.016 13.028 2.823 1.00 0.00 C ATOM 597 CG ASP A 38 2.764 13.761 1.729 1.00 0.00 C ATOM 598 OD1 ASP A 38 2.607 13.398 0.547 1.00 0.00 O ATOM 599 OD2 ASP A 38 3.520 14.703 2.049 1.00 0.00 O ATOM 0 H ASP A 38 1.192 11.265 1.352 1.00 0.00 H new ATOM 0 HA ASP A 38 3.550 11.514 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.948 13.054 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.162 13.549 3.769 1.00 0.00 H new ATOM 604 N LEU A 39 1.074 10.109 4.319 1.00 0.00 N ATOM 605 CA LEU A 39 0.553 9.527 5.540 1.00 0.00 C ATOM 606 C LEU A 39 1.027 8.085 5.697 1.00 0.00 C ATOM 607 O LEU A 39 0.591 7.370 6.601 1.00 0.00 O ATOM 608 CB LEU A 39 -0.972 9.578 5.512 1.00 0.00 C ATOM 609 CG LEU A 39 -1.580 10.982 5.523 1.00 0.00 C ATOM 610 CD1 LEU A 39 -3.093 10.904 5.393 1.00 0.00 C ATOM 611 CD2 LEU A 39 -1.190 11.723 6.794 1.00 0.00 C ATOM 0 H LEU A 39 0.648 9.746 3.466 1.00 0.00 H new ATOM 0 HA LEU A 39 0.923 10.100 6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.320 9.056 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.353 9.028 6.372 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.188 11.536 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.511 11.910 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.353 10.412 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.501 10.334 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.631 12.720 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.554 11.173 7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.105 11.808 6.847 1.00 0.00 H new ATOM 623 N ILE A 40 1.934 7.671 4.822 1.00 0.00 N ATOM 624 CA ILE A 40 2.407 6.295 4.806 1.00 0.00 C ATOM 625 C ILE A 40 3.435 6.041 5.904 1.00 0.00 C ATOM 626 O ILE A 40 4.529 6.607 5.902 1.00 0.00 O ATOM 627 CB ILE A 40 3.005 5.918 3.432 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.896 5.864 2.376 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.737 4.582 3.509 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.386 5.469 1.000 1.00 0.00 C ATOM 0 H ILE A 40 2.357 8.270 4.113 1.00 0.00 H new ATOM 0 HA ILE A 40 1.539 5.663 4.993 1.00 0.00 H new ATOM 0 HB ILE A 40 3.728 6.682 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.134 5.155 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.417 6.841 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.150 4.336 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.545 4.651 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.040 3.802 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.546 5.452 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.126 6.191 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.839 4.479 1.046 1.00 0.00 H new ATOM 642 N LYS A 41 3.062 5.190 6.843 1.00 0.00 N ATOM 643 CA LYS A 41 3.961 4.751 7.898 1.00 0.00 C ATOM 644 C LYS A 41 4.044 3.235 7.898 1.00 0.00 C ATOM 645 O LYS A 41 3.239 2.566 7.253 1.00 0.00 O ATOM 646 CB LYS A 41 3.463 5.213 9.266 1.00 0.00 C ATOM 647 CG LYS A 41 3.546 6.713 9.504 1.00 0.00 C ATOM 648 CD LYS A 41 2.918 7.085 10.842 1.00 0.00 C ATOM 649 CE LYS A 41 3.532 6.294 11.989 1.00 0.00 C ATOM 650 NZ LYS A 41 2.775 6.463 13.259 1.00 0.00 N ATOM 0 H LYS A 41 2.128 4.783 6.897 1.00 0.00 H new ATOM 0 HA LYS A 41 4.943 5.186 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.426 4.898 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.041 4.705 10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.588 7.031 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.037 7.242 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.051 8.152 11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.845 6.899 10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.562 5.237 11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.563 6.614 12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.230 5.907 14.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.768 7.468 13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.798 6.133 13.127 1.00 0.00 H new ATOM 664 N LYS A 42 5.002 2.692 8.626 1.00 0.00 N ATOM 665 CA LYS A 42 5.082 1.255 8.798 1.00 0.00 C ATOM 666 C LYS A 42 4.153 0.849 9.935 1.00 0.00 C ATOM 667 O LYS A 42 4.128 1.512 10.976 1.00 0.00 O ATOM 668 CB LYS A 42 6.528 0.821 9.073 1.00 0.00 C ATOM 669 CG LYS A 42 6.771 -0.677 8.909 1.00 0.00 C ATOM 670 CD LYS A 42 6.424 -1.469 10.164 1.00 0.00 C ATOM 671 CE LYS A 42 6.660 -2.960 9.964 1.00 0.00 C ATOM 672 NZ LYS A 42 8.063 -3.255 9.569 1.00 0.00 N ATOM 0 H LYS A 42 5.731 3.221 9.105 1.00 0.00 H new ATOM 0 HA LYS A 42 4.768 0.754 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.193 1.362 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.797 1.113 10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.177 -1.048 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.818 -0.846 8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.027 -1.113 10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.381 -1.297 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.424 -3.491 10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.981 -3.335 9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.366 -4.149 10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.122 -3.337 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.684 -2.485 9.892 1.00 0.00 H new ATOM 686 N ASP A 43 3.390 -0.222 9.713 1.00 0.00 N ATOM 687 CA ASP A 43 2.363 -0.683 10.658 1.00 0.00 C ATOM 688 C ASP A 43 1.148 0.246 10.597 1.00 0.00 C ATOM 689 O ASP A 43 0.340 0.310 11.519 1.00 0.00 O ATOM 690 CB ASP A 43 2.918 -0.768 12.091 1.00 0.00 C ATOM 691 CG ASP A 43 2.027 -1.553 13.040 1.00 0.00 C ATOM 692 OD1 ASP A 43 2.055 -2.804 12.986 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.310 -0.932 13.853 1.00 0.00 O ATOM 0 H ASP A 43 3.464 -0.797 8.874 1.00 0.00 H new ATOM 0 HA ASP A 43 2.055 -1.688 10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.904 -1.232 12.063 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.051 0.241 12.481 1.00 0.00 H new ATOM 698 N ALA A 44 1.018 0.960 9.486 1.00 0.00 N ATOM 699 CA ALA A 44 -0.127 1.835 9.272 1.00 0.00 C ATOM 700 C ALA A 44 -1.166 1.146 8.396 1.00 0.00 C ATOM 701 O ALA A 44 -0.819 0.354 7.513 1.00 0.00 O ATOM 702 CB ALA A 44 0.315 3.150 8.648 1.00 0.00 C ATOM 0 H ALA A 44 1.691 0.950 8.720 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.582 2.052 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.554 3.791 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.021 3.648 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.794 2.955 7.689 1.00 0.00 H new ATOM 708 N ALA A 45 -2.434 1.438 8.650 1.00 0.00 N ATOM 709 CA ALA A 45 -3.524 0.822 7.909 1.00 0.00 C ATOM 710 C ALA A 45 -3.854 1.617 6.652 1.00 0.00 C ATOM 711 O ALA A 45 -3.839 2.848 6.661 1.00 0.00 O ATOM 712 CB ALA A 45 -4.754 0.694 8.793 1.00 0.00 C ATOM 0 H ALA A 45 -2.733 2.100 9.366 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.204 -0.174 7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.563 0.232 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.517 0.075 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.066 1.683 9.128 1.00 0.00 H new ATOM 718 N VAL A 46 -4.144 0.909 5.572 1.00 0.00 N ATOM 719 CA VAL A 46 -4.511 1.538 4.309 1.00 0.00 C ATOM 720 C VAL A 46 -5.694 0.823 3.668 1.00 0.00 C ATOM 721 O VAL A 46 -5.945 -0.351 3.938 1.00 0.00 O ATOM 722 CB VAL A 46 -3.336 1.552 3.306 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.214 2.453 3.793 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.820 0.142 3.062 1.00 0.00 C ATOM 0 H VAL A 46 -4.133 -0.111 5.543 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.783 2.567 4.544 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.706 1.952 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.400 2.444 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.588 3.471 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.848 2.091 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.993 0.175 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.475 -0.287 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.622 -0.474 2.655 1.00 0.00 H new ATOM 734 N THR A 47 -6.419 1.541 2.826 1.00 0.00 N ATOM 735 CA THR A 47 -7.515 0.962 2.069 1.00 0.00 C ATOM 736 C THR A 47 -7.265 1.146 0.579 1.00 0.00 C ATOM 737 O THR A 47 -6.862 2.224 0.144 1.00 0.00 O ATOM 738 CB THR A 47 -8.871 1.590 2.452 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.793 3.023 2.391 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.296 1.157 3.845 1.00 0.00 C ATOM 0 H THR A 47 -6.266 2.534 2.649 1.00 0.00 H new ATOM 0 HA THR A 47 -7.561 -0.100 2.309 1.00 0.00 H new ATOM 0 HB THR A 47 -9.617 1.241 1.738 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.862 3.294 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.255 1.613 4.091 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.392 0.072 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.546 1.475 4.569 1.00 0.00 H new ATOM 748 N PHE A 48 -7.487 0.099 -0.195 1.00 0.00 N ATOM 749 CA PHE A 48 -7.169 0.119 -1.614 1.00 0.00 C ATOM 750 C PHE A 48 -8.085 -0.815 -2.389 1.00 0.00 C ATOM 751 O PHE A 48 -8.963 -1.455 -1.810 1.00 0.00 O ATOM 752 CB PHE A 48 -5.708 -0.299 -1.824 1.00 0.00 C ATOM 753 CG PHE A 48 -5.321 -1.541 -1.061 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.640 -2.801 -1.546 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.647 -1.447 0.147 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.292 -3.939 -0.844 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.299 -2.582 0.854 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.622 -3.829 0.357 1.00 0.00 C ATOM 0 H PHE A 48 -7.887 -0.779 0.135 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.317 1.133 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.536 -0.467 -2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.057 0.521 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.167 -2.894 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.391 -0.474 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.544 -4.914 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.775 -2.494 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.350 -4.717 0.908 1.00 0.00 H new ATOM 768 N GLU A 49 -7.888 -0.879 -3.695 1.00 0.00 N ATOM 769 CA GLU A 49 -8.575 -1.854 -4.516 1.00 0.00 C ATOM 770 C GLU A 49 -7.553 -2.654 -5.319 1.00 0.00 C ATOM 771 O GLU A 49 -6.525 -2.121 -5.745 1.00 0.00 O ATOM 772 CB GLU A 49 -9.602 -1.166 -5.422 1.00 0.00 C ATOM 773 CG GLU A 49 -9.051 0.008 -6.212 1.00 0.00 C ATOM 774 CD GLU A 49 -10.134 0.761 -6.954 1.00 0.00 C ATOM 775 OE1 GLU A 49 -10.610 0.260 -7.992 1.00 0.00 O ATOM 776 OE2 GLU A 49 -10.521 1.860 -6.498 1.00 0.00 O ATOM 0 H GLU A 49 -7.256 -0.264 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.124 -2.547 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.004 -1.901 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.434 -0.818 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.537 0.690 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.309 -0.353 -6.925 1.00 0.00 H new ATOM 783 N PRO A 50 -7.805 -3.954 -5.500 1.00 0.00 N ATOM 784 CA PRO A 50 -6.860 -4.869 -6.145 1.00 0.00 C ATOM 785 C PRO A 50 -6.778 -4.691 -7.659 1.00 0.00 C ATOM 786 O PRO A 50 -7.767 -4.379 -8.321 1.00 0.00 O ATOM 787 CB PRO A 50 -7.414 -6.261 -5.810 1.00 0.00 C ATOM 788 CG PRO A 50 -8.499 -6.040 -4.810 1.00 0.00 C ATOM 789 CD PRO A 50 -9.012 -4.656 -5.060 1.00 0.00 C ATOM 0 HA PRO A 50 -5.845 -4.692 -5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.800 -6.753 -6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.634 -6.905 -5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.293 -6.778 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.119 -6.138 -3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.792 -4.642 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.437 -4.211 -4.161 1.00 0.00 H new ATOM 797 N THR A 51 -5.580 -4.890 -8.184 1.00 0.00 N ATOM 798 CA THR A 51 -5.346 -4.910 -9.616 1.00 0.00 C ATOM 799 C THR A 51 -4.364 -6.036 -9.926 1.00 0.00 C ATOM 800 O THR A 51 -3.618 -6.471 -9.047 1.00 0.00 O ATOM 801 CB THR A 51 -4.796 -3.557 -10.133 1.00 0.00 C ATOM 802 OG1 THR A 51 -4.647 -3.585 -11.559 1.00 0.00 O ATOM 803 CG2 THR A 51 -3.458 -3.220 -9.493 1.00 0.00 C ATOM 0 H THR A 51 -4.740 -5.043 -7.626 1.00 0.00 H new ATOM 0 HA THR A 51 -6.295 -5.079 -10.126 1.00 0.00 H new ATOM 0 HB THR A 51 -5.517 -2.787 -9.858 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.300 -2.722 -11.869 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.101 -2.265 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.578 -3.153 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.735 -4.000 -9.730 1.00 0.00 H new ATOM 811 N THR A 52 -4.367 -6.529 -11.146 1.00 0.00 N ATOM 812 CA THR A 52 -3.511 -7.646 -11.485 1.00 0.00 C ATOM 813 C THR A 52 -2.430 -7.257 -12.483 1.00 0.00 C ATOM 814 O THR A 52 -2.705 -6.673 -13.534 1.00 0.00 O ATOM 815 CB THR A 52 -4.328 -8.828 -12.039 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.314 -8.350 -12.966 1.00 0.00 O ATOM 817 CG2 THR A 52 -5.006 -9.595 -10.917 1.00 0.00 C ATOM 0 H THR A 52 -4.944 -6.180 -11.911 1.00 0.00 H new ATOM 0 HA THR A 52 -3.024 -7.954 -10.560 1.00 0.00 H new ATOM 0 HB THR A 52 -3.644 -9.504 -12.553 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.829 -9.107 -13.316 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.576 -10.424 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.251 -9.983 -10.233 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.678 -8.929 -10.376 1.00 0.00 H new ATOM 825 N ASN A 53 -1.194 -7.564 -12.124 1.00 0.00 N ATOM 826 CA ASN A 53 -0.074 -7.430 -13.034 1.00 0.00 C ATOM 827 C ASN A 53 0.386 -8.816 -13.442 1.00 0.00 C ATOM 828 O ASN A 53 0.078 -9.798 -12.766 1.00 0.00 O ATOM 829 CB ASN A 53 1.085 -6.661 -12.382 1.00 0.00 C ATOM 830 CG ASN A 53 0.822 -5.169 -12.256 1.00 0.00 C ATOM 831 OD1 ASN A 53 1.251 -4.532 -11.291 1.00 0.00 O ATOM 832 ND2 ASN A 53 0.131 -4.596 -13.231 1.00 0.00 N ATOM 0 H ASN A 53 -0.942 -7.911 -11.198 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.393 -6.864 -13.910 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.274 -7.074 -11.391 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.990 -6.815 -12.970 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.062 -3.595 -13.199 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.208 -5.156 -14.013 1.00 0.00 H new ATOM 839 N ASN A 54 1.122 -8.903 -14.533 1.00 0.00 N ATOM 840 CA ASN A 54 1.619 -10.186 -15.015 1.00 0.00 C ATOM 841 C ASN A 54 2.718 -10.706 -14.097 1.00 0.00 C ATOM 842 O ASN A 54 3.101 -11.874 -14.162 1.00 0.00 O ATOM 843 CB ASN A 54 2.142 -10.051 -16.447 1.00 0.00 C ATOM 844 CG ASN A 54 1.066 -9.582 -17.412 1.00 0.00 C ATOM 845 OD1 ASN A 54 -0.117 -9.870 -17.229 1.00 0.00 O ATOM 846 ND2 ASN A 54 1.465 -8.855 -18.445 1.00 0.00 N ATOM 0 H ASN A 54 1.391 -8.103 -15.105 1.00 0.00 H new ATOM 0 HA ASN A 54 0.796 -10.901 -15.012 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.973 -9.346 -16.463 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.533 -11.012 -16.781 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.783 -8.513 -19.122 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.454 -8.637 -18.563 1.00 0.00 H new ATOM 853 N LYS A 55 3.213 -9.827 -13.233 1.00 0.00 N ATOM 854 CA LYS A 55 4.271 -10.166 -12.303 1.00 0.00 C ATOM 855 C LYS A 55 3.700 -10.721 -10.998 1.00 0.00 C ATOM 856 O LYS A 55 4.401 -11.396 -10.242 1.00 0.00 O ATOM 857 CB LYS A 55 5.119 -8.926 -12.020 1.00 0.00 C ATOM 858 CG LYS A 55 5.612 -8.223 -13.276 1.00 0.00 C ATOM 859 CD LYS A 55 6.370 -9.173 -14.189 1.00 0.00 C ATOM 860 CE LYS A 55 6.741 -8.504 -15.502 1.00 0.00 C ATOM 861 NZ LYS A 55 7.399 -9.449 -16.442 1.00 0.00 N ATOM 0 H LYS A 55 2.889 -8.862 -13.162 1.00 0.00 H new ATOM 0 HA LYS A 55 4.893 -10.939 -12.753 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.533 -8.224 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.978 -9.215 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.763 -7.800 -13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.259 -7.391 -12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.274 -9.518 -13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.759 -10.054 -14.388 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.844 -8.096 -15.967 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.408 -7.665 -15.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.635 -8.952 -17.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.269 -9.820 -16.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.753 -10.237 -16.651 1.00 0.00 H new ATOM 875 N GLY A 56 2.429 -10.436 -10.742 1.00 0.00 N ATOM 876 CA GLY A 56 1.794 -10.896 -9.525 1.00 0.00 C ATOM 877 C GLY A 56 0.610 -10.032 -9.142 1.00 0.00 C ATOM 878 O GLY A 56 0.089 -9.282 -9.971 1.00 0.00 O ATOM 0 H GLY A 56 1.826 -9.892 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.464 -11.927 -9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.522 -10.895 -8.713 1.00 0.00 H new ATOM 882 N LEU A 57 0.186 -10.129 -7.889 1.00 0.00 N ATOM 883 CA LEU A 57 -0.950 -9.365 -7.404 1.00 0.00 C ATOM 884 C LEU A 57 -0.521 -7.977 -6.947 1.00 0.00 C ATOM 885 O LEU A 57 0.512 -7.809 -6.294 1.00 0.00 O ATOM 886 CB LEU A 57 -1.646 -10.108 -6.266 1.00 0.00 C ATOM 887 CG LEU A 57 -2.304 -11.432 -6.663 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.967 -12.083 -5.460 1.00 0.00 C ATOM 889 CD2 LEU A 57 -3.324 -11.201 -7.770 1.00 0.00 C ATOM 0 H LEU A 57 0.616 -10.733 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.654 -9.248 -8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.916 -10.304 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.407 -9.455 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.531 -12.105 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.429 -13.023 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.218 -12.278 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.731 -11.416 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.785 -12.150 -8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.092 -10.512 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.826 -10.775 -8.641 1.00 0.00 H new ATOM 901 N SER A 58 -1.327 -6.990 -7.299 1.00 0.00 N ATOM 902 CA SER A 58 -1.017 -5.605 -7.029 1.00 0.00 C ATOM 903 C SER A 58 -2.263 -4.867 -6.544 1.00 0.00 C ATOM 904 O SER A 58 -3.370 -5.413 -6.572 1.00 0.00 O ATOM 905 CB SER A 58 -0.480 -4.947 -8.298 1.00 0.00 C ATOM 906 OG SER A 58 0.488 -5.768 -8.934 1.00 0.00 O ATOM 0 H SER A 58 -2.215 -7.131 -7.781 1.00 0.00 H new ATOM 0 HA SER A 58 -0.259 -5.555 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.303 -4.752 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.036 -3.983 -8.051 1.00 0.00 H new ATOM 0 HG SER A 58 0.853 -5.299 -9.713 1.00 0.00 H new ATOM 912 N ALA A 59 -2.084 -3.651 -6.060 1.00 0.00 N ATOM 913 CA ALA A 59 -3.210 -2.829 -5.648 1.00 0.00 C ATOM 914 C ALA A 59 -2.998 -1.380 -6.063 1.00 0.00 C ATOM 915 O ALA A 59 -1.862 -0.926 -6.206 1.00 0.00 O ATOM 916 CB ALA A 59 -3.425 -2.935 -4.151 1.00 0.00 C ATOM 0 H ALA A 59 -1.172 -3.210 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.106 -3.196 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.272 -2.313 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.628 -3.972 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.530 -2.596 -3.630 1.00 0.00 H new ATOM 922 N TYR A 60 -4.093 -0.663 -6.268 1.00 0.00 N ATOM 923 CA TYR A 60 -4.033 0.737 -6.663 1.00 0.00 C ATOM 924 C TYR A 60 -5.098 1.534 -5.933 1.00 0.00 C ATOM 925 O TYR A 60 -5.860 0.978 -5.135 1.00 0.00 O ATOM 926 CB TYR A 60 -4.199 0.898 -8.183 1.00 0.00 C ATOM 927 CG TYR A 60 -5.558 0.495 -8.723 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.046 -0.795 -8.563 1.00 0.00 C ATOM 929 CD2 TYR A 60 -6.354 1.414 -9.394 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.285 -1.157 -9.055 1.00 0.00 C ATOM 931 CE2 TYR A 60 -7.595 1.061 -9.886 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.056 -0.227 -9.716 1.00 0.00 C ATOM 933 OH TYR A 60 -9.299 -0.578 -10.191 1.00 0.00 O ATOM 0 H TYR A 60 -5.039 -1.030 -6.167 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.050 1.120 -6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.014 1.940 -8.446 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.435 0.303 -8.682 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.446 -1.528 -8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.996 2.423 -9.534 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.648 -2.166 -8.922 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.202 1.791 -10.402 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.960 -0.491 -9.473 1.00 0.00 H new ATOM 943 N ALA A 61 -5.149 2.830 -6.228 1.00 0.00 N ATOM 944 CA ALA A 61 -6.046 3.755 -5.540 1.00 0.00 C ATOM 945 C ALA A 61 -5.847 3.651 -4.030 1.00 0.00 C ATOM 946 O ALA A 61 -6.808 3.547 -3.265 1.00 0.00 O ATOM 947 CB ALA A 61 -7.497 3.480 -5.915 1.00 0.00 C ATOM 0 H ALA A 61 -4.573 3.267 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.807 4.771 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.147 4.181 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.624 3.602 -6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.759 2.461 -5.632 1.00 0.00 H new ATOM 953 N VAL A 62 -4.588 3.692 -3.616 1.00 0.00 N ATOM 954 CA VAL A 62 -4.223 3.466 -2.227 1.00 0.00 C ATOM 955 C VAL A 62 -4.545 4.681 -1.369 1.00 0.00 C ATOM 956 O VAL A 62 -3.947 5.749 -1.524 1.00 0.00 O ATOM 957 CB VAL A 62 -2.727 3.122 -2.085 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.394 2.724 -0.654 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.341 2.016 -3.055 1.00 0.00 C ATOM 0 H VAL A 62 -3.796 3.882 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.813 2.618 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.148 4.012 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.333 2.486 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.628 3.550 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.982 1.850 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.282 1.786 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.931 1.124 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.533 2.344 -4.076 1.00 0.00 H new ATOM 969 N LYS A 63 -5.507 4.510 -0.481 1.00 0.00 N ATOM 970 CA LYS A 63 -5.910 5.550 0.438 1.00 0.00 C ATOM 971 C LYS A 63 -5.565 5.146 1.866 1.00 0.00 C ATOM 972 O LYS A 63 -6.166 4.221 2.423 1.00 0.00 O ATOM 973 CB LYS A 63 -7.409 5.785 0.304 1.00 0.00 C ATOM 974 CG LYS A 63 -7.823 6.307 -1.064 1.00 0.00 C ATOM 975 CD LYS A 63 -9.310 6.109 -1.316 1.00 0.00 C ATOM 976 CE LYS A 63 -9.670 4.631 -1.364 1.00 0.00 C ATOM 977 NZ LYS A 63 -11.100 4.414 -1.709 1.00 0.00 N ATOM 0 H LYS A 63 -6.031 3.641 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.379 6.472 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.934 4.850 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.727 6.496 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.579 7.367 -1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.251 5.794 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.883 6.600 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.588 6.584 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.040 4.129 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.458 4.175 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.301 3.394 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.703 4.871 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.298 4.826 -2.643 1.00 0.00 H new ATOM 991 N VAL A 64 -4.586 5.822 2.438 1.00 0.00 N ATOM 992 CA VAL A 64 -4.138 5.545 3.796 1.00 0.00 C ATOM 993 C VAL A 64 -5.234 5.895 4.801 1.00 0.00 C ATOM 994 O VAL A 64 -6.077 6.752 4.532 1.00 0.00 O ATOM 995 CB VAL A 64 -2.852 6.341 4.127 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.345 6.024 5.528 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.767 6.053 3.103 1.00 0.00 C ATOM 0 H VAL A 64 -4.078 6.578 1.978 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.916 4.480 3.865 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.103 7.401 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.441 6.600 5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.110 6.285 6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.120 4.960 5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.871 6.622 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.534 4.988 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.116 6.343 2.112 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.229 5.221 5.944 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.192 5.474 7.008 1.00 0.00 C ATOM 1009 C VAL A 65 -5.527 6.261 8.137 1.00 0.00 C ATOM 1010 O VAL A 65 -4.943 5.680 9.053 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.785 4.163 7.565 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.833 4.442 8.632 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.379 3.322 6.445 1.00 0.00 C ATOM 0 H VAL A 65 -4.558 4.484 6.159 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.009 6.058 6.584 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.973 3.602 8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.232 3.499 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.377 4.994 9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.641 5.034 8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.791 2.402 6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.171 3.883 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.601 3.077 5.722 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.551 7.603 8.049 1.00 0.00 N ATOM 1024 CA PRO A 66 -4.846 8.468 8.996 1.00 0.00 C ATOM 1025 C PRO A 66 -5.397 8.362 10.413 1.00 0.00 C ATOM 1026 O PRO A 66 -6.592 8.136 10.617 1.00 0.00 O ATOM 1027 CB PRO A 66 -5.070 9.880 8.443 1.00 0.00 C ATOM 1028 CG PRO A 66 -6.291 9.773 7.600 1.00 0.00 C ATOM 1029 CD PRO A 66 -6.288 8.379 7.038 1.00 0.00 C ATOM 0 HA PRO A 66 -3.795 8.191 9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.208 10.602 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.214 10.215 7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.189 9.953 8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.280 10.515 6.802 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.300 8.000 6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.798 8.339 6.065 1.00 0.00 H new ATOM 1037 N LEU A 67 -4.505 8.545 11.383 1.00 0.00 N ATOM 1038 CA LEU A 67 -4.863 8.514 12.799 1.00 0.00 C ATOM 1039 C LEU A 67 -5.869 9.609 13.138 1.00 0.00 C ATOM 1040 O LEU A 67 -6.625 9.496 14.102 1.00 0.00 O ATOM 1041 CB LEU A 67 -3.611 8.683 13.676 1.00 0.00 C ATOM 1042 CG LEU A 67 -2.846 10.006 13.500 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -2.005 10.299 14.730 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -1.953 9.961 12.266 1.00 0.00 C ATOM 0 H LEU A 67 -3.515 8.719 11.210 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.319 7.545 13.001 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.907 8.592 14.721 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.929 7.859 13.465 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.580 10.801 13.369 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.470 11.238 14.590 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.653 10.377 15.603 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.288 9.492 14.881 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.424 10.909 12.165 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.231 9.151 12.369 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.565 9.791 11.380 1.00 0.00 H new ATOM 1056 N GLU A 68 -5.865 10.669 12.343 1.00 0.00 N ATOM 1057 CA GLU A 68 -6.786 11.775 12.534 1.00 0.00 C ATOM 1058 C GLU A 68 -7.121 12.410 11.190 1.00 0.00 C ATOM 1059 O GLU A 68 -8.230 12.258 10.685 1.00 0.00 O ATOM 1060 CB GLU A 68 -6.189 12.821 13.482 1.00 0.00 C ATOM 1061 CG GLU A 68 -7.110 14.000 13.751 1.00 0.00 C ATOM 1062 CD GLU A 68 -6.453 15.071 14.594 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -5.777 15.954 14.023 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -6.605 15.040 15.833 1.00 0.00 O ATOM 0 H GLU A 68 -5.228 10.785 11.555 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.701 11.391 12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.942 12.341 14.429 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.255 13.190 13.059 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.426 14.433 12.802 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.009 13.646 14.256 1.00 0.00 H new ATOM 1071 N HIS A 69 -6.151 13.110 10.615 1.00 0.00 N ATOM 1072 CA HIS A 69 -6.341 13.768 9.327 1.00 0.00 C ATOM 1073 C HIS A 69 -5.011 13.881 8.589 1.00 0.00 C ATOM 1074 O HIS A 69 -4.866 13.405 7.463 1.00 0.00 O ATOM 1075 CB HIS A 69 -6.942 15.164 9.546 1.00 0.00 C ATOM 1076 CG HIS A 69 -7.367 15.866 8.289 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -8.687 16.066 7.956 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -6.642 16.426 7.290 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -8.759 16.718 6.814 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -7.534 16.949 6.388 1.00 0.00 N ATOM 0 H HIS A 69 -5.224 13.237 11.020 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.024 13.173 8.721 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.805 15.074 10.206 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.209 15.784 10.062 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.565 16.455 7.218 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.668 17.013 6.312 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.288 17.438 5.527 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.049 14.513 9.246 1.00 0.00 N ATOM 1090 CA HIS A 70 -2.733 14.767 8.674 1.00 0.00 C ATOM 1091 C HIS A 70 -1.756 15.049 9.814 1.00 0.00 C ATOM 1092 O HIS A 70 -2.097 15.774 10.745 1.00 0.00 O ATOM 1093 CB HIS A 70 -2.820 15.957 7.701 1.00 0.00 C ATOM 1094 CG HIS A 70 -1.539 16.294 6.992 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -0.572 17.185 7.303 1.00 0.00 N flip ATOM 1096 CD2 HIS A 70 -1.143 15.703 5.809 1.00 0.00 C flip ATOM 1097 CE1 HIS A 70 0.379 17.113 6.320 1.00 0.00 C flip ATOM 1098 NE2 HIS A 70 0.013 16.215 5.431 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.159 14.866 10.196 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.379 13.901 8.114 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.585 15.741 6.955 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.153 16.835 8.254 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.693 14.941 5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.285 17.700 6.281 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.534 15.958 4.592 1.00 0.00 H new ATOM 1107 N HIS A 71 -0.556 14.468 9.757 1.00 0.00 N ATOM 1108 CA HIS A 71 0.383 14.556 10.881 1.00 0.00 C ATOM 1109 C HIS A 71 0.776 16.003 11.159 1.00 0.00 C ATOM 1110 O HIS A 71 0.950 16.387 12.314 1.00 0.00 O ATOM 1111 CB HIS A 71 1.632 13.705 10.633 1.00 0.00 C ATOM 1112 CG HIS A 71 2.428 13.459 11.882 1.00 0.00 C ATOM 1113 ND1 HIS A 71 3.710 13.928 12.079 1.00 0.00 N ATOM 1114 CD2 HIS A 71 2.102 12.786 13.011 1.00 0.00 C ATOM 1115 CE1 HIS A 71 4.133 13.553 13.273 1.00 0.00 C ATOM 1116 NE2 HIS A 71 3.175 12.860 13.859 1.00 0.00 N ATOM 0 H HIS A 71 -0.213 13.938 8.956 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.128 14.163 11.760 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.334 12.748 10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.264 14.202 9.897 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.167 12.283 13.207 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.100 13.776 13.698 1.00 0.00 H new ATOM 0 HE2 HIS A 71 3.225 12.447 14.790 1.00 0.00 H new ATOM 1125 N HIS A 72 0.943 16.778 10.086 1.00 0.00 N ATOM 1126 CA HIS A 72 1.105 18.231 10.169 1.00 0.00 C ATOM 1127 C HIS A 72 2.517 18.609 10.624 1.00 0.00 C ATOM 1128 O HIS A 72 3.251 17.775 11.156 1.00 0.00 O ATOM 1129 CB HIS A 72 0.043 18.834 11.112 1.00 0.00 C ATOM 1130 CG HIS A 72 -0.049 20.332 11.084 1.00 0.00 C ATOM 1131 ND1 HIS A 72 0.474 21.136 12.072 1.00 0.00 N ATOM 1132 CD2 HIS A 72 -0.616 21.168 10.184 1.00 0.00 C ATOM 1133 CE1 HIS A 72 0.235 22.401 11.781 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -0.423 22.448 10.638 1.00 0.00 N ATOM 0 H HIS A 72 0.970 16.415 9.133 1.00 0.00 H new ATOM 0 HA HIS A 72 0.960 18.646 9.172 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.931 18.420 10.851 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.261 18.517 12.132 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.126 20.881 9.276 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.528 23.253 12.377 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.737 23.298 10.169 1.00 0.00 H new ATOM 1143 N HIS A 73 2.883 19.866 10.360 1.00 0.00 N ATOM 1144 CA HIS A 73 4.140 20.462 10.819 1.00 0.00 C ATOM 1145 C HIS A 73 5.307 20.134 9.889 1.00 0.00 C ATOM 1146 O HIS A 73 5.865 19.036 9.920 1.00 0.00 O ATOM 1147 CB HIS A 73 4.475 20.058 12.265 1.00 0.00 C ATOM 1148 CG HIS A 73 5.791 20.591 12.748 1.00 0.00 C ATOM 1149 ND1 HIS A 73 6.920 19.810 12.863 1.00 0.00 N ATOM 1150 CD2 HIS A 73 6.153 21.833 13.137 1.00 0.00 C ATOM 1151 CE1 HIS A 73 7.921 20.553 13.297 1.00 0.00 C ATOM 1152 NE2 HIS A 73 7.482 21.783 13.470 1.00 0.00 N ATOM 0 H HIS A 73 2.307 20.507 9.814 1.00 0.00 H new ATOM 0 HA HIS A 73 3.989 21.541 10.797 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.684 20.414 12.925 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.485 18.970 12.337 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.515 22.703 13.178 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.929 20.211 13.479 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.041 22.571 13.799 1.00 0.00 H new ATOM 1161 N HIS A 74 5.656 21.108 9.068 1.00 0.00 N ATOM 1162 CA HIS A 74 6.845 21.050 8.238 1.00 0.00 C ATOM 1163 C HIS A 74 7.125 22.444 7.699 1.00 0.00 C ATOM 1164 O HIS A 74 8.143 23.043 8.096 1.00 0.00 O ATOM 1165 CB HIS A 74 6.695 20.053 7.080 1.00 0.00 C ATOM 1166 CG HIS A 74 7.966 19.848 6.298 1.00 0.00 C ATOM 1167 ND1 HIS A 74 8.083 18.939 5.266 1.00 0.00 N ATOM 1168 CD2 HIS A 74 9.182 20.443 6.403 1.00 0.00 C ATOM 1169 CE1 HIS A 74 9.308 18.987 4.775 1.00 0.00 C ATOM 1170 NE2 HIS A 74 9.991 19.890 5.447 1.00 0.00 N ATOM 1171 OXT HIS A 74 6.306 22.940 6.898 1.00 0.00 O ATOM 0 H HIS A 74 5.118 21.968 8.958 1.00 0.00 H new ATOM 0 HA HIS A 74 7.678 20.701 8.848 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.363 19.094 7.477 1.00 0.00 H new ATOM 0 HB3 HIS A 74 5.915 20.406 6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.460 21.211 7.110 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.686 18.387 3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.967 20.138 5.282 1.00 0.00 H new TER 1180 HIS A 74