USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.628 K(o=-0.63,f=-5.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.9) USER MOD Single : A 35 ASN : amide:sc= 0.223 K(o=0.22,f=-4.3!) USER MOD Single : A 37 THR OG1 : rot 179:sc= 0.427 USER MOD Single : A 40 SER OG : rot -127:sc= 0.0083 USER MOD Single : A 42 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : A 44 GLN : amide:sc= 0.506 K(o=0.51,f=-0.18) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= 0.37 (180deg=0.212) USER MOD Single : A 52 SER OG : rot -39:sc= 0.171 USER MOD Single : A 53 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.14) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= -2.11! (180deg=-2.13!) USER MOD Single : A 58 LYS NZ :NH3+ -112:sc= 1.2 (180deg=-0.142) USER MOD Single : A 62 HIS : no HE2:sc= -3.5 K(o=-3.5,f=-4.4!) USER MOD Single : A 63 CYS SG : rot 50:sc= -1.81 USER MOD Single : A 74 LYS NZ :NH3+ -113:sc= -0.0919 (180deg=-1.07) USER MOD Single : A 75 SER OG : rot 77:sc= 0.608 USER MOD Single : A 76 MET CE :methyl -130:sc= -2.6! (180deg=-4.21!) USER MOD Single : A 77 HIS : no HD1:sc= -0.395 K(o=-0.39,f=-2.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0476 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 176:sc= -2.45! (180deg=-2.67!) USER MOD Single : A 102 TYR OH : rot -174:sc= -0.43 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.495 12.799 -6.775 1.00 0.00 N ATOM 21 CA LEU A 2 -4.923 11.480 -6.393 1.00 0.00 C ATOM 22 C LEU A 2 -5.809 10.296 -6.818 1.00 0.00 C ATOM 23 O LEU A 2 -5.334 9.169 -6.837 1.00 0.00 O ATOM 24 CB LEU A 2 -4.575 11.374 -4.875 1.00 0.00 C ATOM 25 CG LEU A 2 -5.660 10.783 -3.913 1.00 0.00 C ATOM 26 CD1 LEU A 2 -5.007 10.241 -2.630 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.747 11.809 -3.572 1.00 0.00 C ATOM 0 HA LEU A 2 -3.988 11.418 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.676 10.764 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.322 12.373 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.144 9.959 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.777 9.834 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.297 9.455 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.484 11.049 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.478 11.356 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.293 12.671 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.244 12.131 -4.487 1.00 0.00 H new ATOM 39 N GLU A 3 -7.088 10.541 -7.155 1.00 0.00 N ATOM 40 CA GLU A 3 -7.987 9.474 -7.681 1.00 0.00 C ATOM 41 C GLU A 3 -7.476 8.931 -9.044 1.00 0.00 C ATOM 42 O GLU A 3 -7.907 7.873 -9.506 1.00 0.00 O ATOM 43 CB GLU A 3 -9.474 9.936 -7.794 1.00 0.00 C ATOM 44 CG GLU A 3 -9.711 11.290 -8.515 1.00 0.00 C ATOM 45 CD GLU A 3 -9.806 12.483 -7.541 1.00 0.00 C ATOM 46 OE1 GLU A 3 -8.758 13.006 -7.108 1.00 0.00 O ATOM 47 OE2 GLU A 3 -10.931 12.884 -7.177 1.00 0.00 O ATOM 0 H GLU A 3 -7.528 11.458 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.962 8.665 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.035 9.164 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.890 10.004 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.899 11.467 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.630 11.229 -9.097 1.00 0.00 H new ATOM 54 N ASP A 4 -6.557 9.681 -9.673 1.00 0.00 N ATOM 55 CA ASP A 4 -5.823 9.249 -10.881 1.00 0.00 C ATOM 56 C ASP A 4 -4.683 8.269 -10.510 1.00 0.00 C ATOM 57 O ASP A 4 -4.299 7.414 -11.314 1.00 0.00 O ATOM 58 CB ASP A 4 -5.262 10.491 -11.607 1.00 0.00 C ATOM 59 CG ASP A 4 -6.366 11.480 -12.018 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.836 12.259 -11.158 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.796 11.463 -13.189 1.00 0.00 O ATOM 0 H ASP A 4 -6.297 10.615 -9.356 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.507 8.723 -11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.549 10.997 -10.956 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.714 10.173 -12.494 1.00 0.00 H new ATOM 66 N TYR A 5 -4.141 8.426 -9.287 1.00 0.00 N ATOM 67 CA TYR A 5 -3.104 7.528 -8.707 1.00 0.00 C ATOM 68 C TYR A 5 -3.739 6.234 -8.142 1.00 0.00 C ATOM 69 O TYR A 5 -3.021 5.337 -7.670 1.00 0.00 O ATOM 70 CB TYR A 5 -2.310 8.262 -7.583 1.00 0.00 C ATOM 71 CG TYR A 5 -1.469 9.466 -8.054 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.075 10.635 -8.528 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.069 9.438 -8.014 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.326 11.719 -8.941 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.681 10.524 -8.423 1.00 0.00 C ATOM 76 CZ TYR A 5 0.048 11.659 -8.886 1.00 0.00 C ATOM 77 OH TYR A 5 0.791 12.750 -9.277 1.00 0.00 O ATOM 0 H TYR A 5 -4.409 9.186 -8.661 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.417 7.255 -9.508 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.016 8.605 -6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.648 7.544 -7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.153 10.691 -8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.433 8.551 -7.657 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.816 12.610 -9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.759 10.484 -8.380 1.00 0.00 H new ATOM 0 HH TYR A 5 1.745 12.549 -9.178 1.00 0.00 H new ATOM 87 N ALA A 6 -5.089 6.176 -8.157 1.00 0.00 N ATOM 88 CA ALA A 6 -5.857 4.973 -7.801 1.00 0.00 C ATOM 89 C ALA A 6 -5.587 3.856 -8.809 1.00 0.00 C ATOM 90 O ALA A 6 -5.736 4.056 -10.019 1.00 0.00 O ATOM 91 CB ALA A 6 -7.363 5.278 -7.755 1.00 0.00 C ATOM 0 H ALA A 6 -5.675 6.969 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.538 4.649 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.910 4.373 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.555 6.050 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.693 5.628 -8.733 1.00 0.00 H new ATOM 97 N ILE A 7 -5.174 2.695 -8.304 1.00 0.00 N ATOM 98 CA ILE A 7 -4.941 1.494 -9.117 1.00 0.00 C ATOM 99 C ILE A 7 -5.827 0.365 -8.559 1.00 0.00 C ATOM 100 O ILE A 7 -5.934 0.207 -7.339 1.00 0.00 O ATOM 101 CB ILE A 7 -3.417 1.065 -9.122 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.494 2.300 -9.439 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.172 -0.082 -10.138 1.00 0.00 C ATOM 104 CD1 ILE A 7 -1.009 1.995 -9.574 1.00 0.00 C ATOM 0 H ILE A 7 -4.989 2.556 -7.311 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.201 1.706 -10.154 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.163 0.696 -8.128 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.838 2.759 -10.366 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.624 3.040 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.118 -0.361 -10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.779 -0.945 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.446 0.253 -11.138 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.467 2.915 -9.792 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.639 1.568 -8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.856 1.283 -10.385 1.00 0.00 H new ATOM 116 N SER A 8 -6.496 -0.374 -9.456 1.00 0.00 N ATOM 117 CA SER A 8 -7.304 -1.557 -9.090 1.00 0.00 C ATOM 118 C SER A 8 -6.426 -2.826 -9.130 1.00 0.00 C ATOM 119 O SER A 8 -5.411 -2.856 -9.830 1.00 0.00 O ATOM 120 CB SER A 8 -8.501 -1.692 -10.057 1.00 0.00 C ATOM 121 OG SER A 8 -9.281 -0.509 -10.077 1.00 0.00 O ATOM 0 H SER A 8 -6.495 -0.173 -10.456 1.00 0.00 H new ATOM 0 HA SER A 8 -7.687 -1.434 -8.077 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.137 -1.908 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.122 -2.535 -9.755 1.00 0.00 H new ATOM 0 HG SER A 8 -10.030 -0.622 -10.698 1.00 0.00 H new ATOM 127 N LEU A 9 -6.822 -3.862 -8.374 1.00 0.00 N ATOM 128 CA LEU A 9 -6.080 -5.146 -8.298 1.00 0.00 C ATOM 129 C LEU A 9 -6.073 -5.896 -9.661 1.00 0.00 C ATOM 130 O LEU A 9 -5.147 -6.667 -9.954 1.00 0.00 O ATOM 131 CB LEU A 9 -6.678 -6.015 -7.153 1.00 0.00 C ATOM 132 CG LEU A 9 -6.117 -7.461 -6.972 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.576 -7.486 -6.850 1.00 0.00 C ATOM 134 CD2 LEU A 9 -6.785 -8.155 -5.765 1.00 0.00 C ATOM 0 H LEU A 9 -7.663 -3.841 -7.797 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.035 -4.937 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.534 -5.479 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.753 -6.090 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.365 -8.019 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.237 -8.515 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.133 -7.064 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.270 -6.897 -5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.381 -9.161 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.585 -7.582 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.861 -8.212 -5.928 1.00 0.00 H new ATOM 146 N GLU A 10 -7.085 -5.631 -10.491 1.00 0.00 N ATOM 147 CA GLU A 10 -7.221 -6.237 -11.834 1.00 0.00 C ATOM 148 C GLU A 10 -6.179 -5.683 -12.838 1.00 0.00 C ATOM 149 O GLU A 10 -5.834 -6.352 -13.813 1.00 0.00 O ATOM 150 CB GLU A 10 -8.657 -5.995 -12.361 1.00 0.00 C ATOM 151 CG GLU A 10 -9.046 -4.505 -12.504 1.00 0.00 C ATOM 152 CD GLU A 10 -10.485 -4.303 -12.990 1.00 0.00 C ATOM 153 OE1 GLU A 10 -10.716 -4.328 -14.220 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.393 -4.140 -12.149 1.00 0.00 O ATOM 0 H GLU A 10 -7.841 -4.988 -10.257 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.032 -7.306 -11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.760 -6.479 -13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.364 -6.479 -11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.921 -4.009 -11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.362 -4.023 -13.202 1.00 0.00 H new ATOM 161 N GLU A 11 -5.679 -4.463 -12.575 1.00 0.00 N ATOM 162 CA GLU A 11 -4.785 -3.718 -13.501 1.00 0.00 C ATOM 163 C GLU A 11 -3.400 -3.448 -12.871 1.00 0.00 C ATOM 164 O GLU A 11 -2.532 -2.838 -13.511 1.00 0.00 O ATOM 165 CB GLU A 11 -5.472 -2.377 -13.890 1.00 0.00 C ATOM 166 CG GLU A 11 -5.841 -1.505 -12.669 1.00 0.00 C ATOM 167 CD GLU A 11 -6.627 -0.223 -12.978 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.646 -0.302 -13.688 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.256 0.860 -12.470 1.00 0.00 O ATOM 0 H GLU A 11 -5.880 -3.957 -11.712 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.618 -4.328 -14.389 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.808 -1.812 -14.544 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.375 -2.591 -14.461 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.427 -2.110 -11.977 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.922 -1.230 -12.152 1.00 0.00 H new ATOM 176 N VAL A 12 -3.193 -3.908 -11.622 1.00 0.00 N ATOM 177 CA VAL A 12 -1.955 -3.622 -10.857 1.00 0.00 C ATOM 178 C VAL A 12 -0.826 -4.603 -11.224 1.00 0.00 C ATOM 179 O VAL A 12 -1.081 -5.694 -11.742 1.00 0.00 O ATOM 180 CB VAL A 12 -2.218 -3.676 -9.296 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.416 -5.115 -8.774 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.110 -2.951 -8.499 1.00 0.00 C ATOM 0 H VAL A 12 -3.868 -4.482 -11.116 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.642 -2.613 -11.127 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.155 -3.143 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.592 -5.091 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.273 -5.568 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.523 -5.704 -8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.329 -3.012 -7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.149 -3.424 -8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.069 -1.905 -8.802 1.00 0.00 H new ATOM 192 N ASN A 13 0.421 -4.173 -10.977 1.00 0.00 N ATOM 193 CA ASN A 13 1.609 -5.037 -10.985 1.00 0.00 C ATOM 194 C ASN A 13 2.472 -4.633 -9.784 1.00 0.00 C ATOM 195 O ASN A 13 3.247 -3.694 -9.882 1.00 0.00 O ATOM 196 CB ASN A 13 2.407 -4.903 -12.317 1.00 0.00 C ATOM 197 CG ASN A 13 1.624 -5.365 -13.549 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.644 -6.543 -13.902 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.917 -4.448 -14.206 1.00 0.00 N ATOM 0 H ASN A 13 0.634 -3.199 -10.763 1.00 0.00 H new ATOM 0 HA ASN A 13 1.312 -6.083 -10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.700 -3.862 -12.452 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.325 -5.485 -12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.372 -4.715 -15.026 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.920 -3.478 -13.889 1.00 0.00 H new ATOM 206 N PHE A 14 2.281 -5.306 -8.626 1.00 0.00 N ATOM 207 CA PHE A 14 3.010 -4.977 -7.365 1.00 0.00 C ATOM 208 C PHE A 14 4.540 -5.022 -7.552 1.00 0.00 C ATOM 209 O PHE A 14 5.266 -4.225 -6.961 1.00 0.00 O ATOM 210 CB PHE A 14 2.597 -5.932 -6.216 1.00 0.00 C ATOM 211 CG PHE A 14 1.175 -5.718 -5.712 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.843 -4.574 -5.001 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.180 -6.658 -5.942 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.440 -4.380 -4.538 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.098 -6.468 -5.480 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.410 -5.329 -4.775 1.00 0.00 C ATOM 0 H PHE A 14 1.628 -6.084 -8.532 1.00 0.00 H new ATOM 0 HA PHE A 14 2.730 -3.957 -7.101 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.699 -6.962 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.289 -5.803 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.599 -3.827 -4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.416 -7.555 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.686 -3.483 -3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.858 -7.212 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.414 -5.179 -4.408 1.00 0.00 H new ATOM 226 N ASN A 15 4.995 -5.946 -8.401 1.00 0.00 N ATOM 227 CA ASN A 15 6.425 -6.120 -8.736 1.00 0.00 C ATOM 228 C ASN A 15 7.006 -4.887 -9.477 1.00 0.00 C ATOM 229 O ASN A 15 8.216 -4.650 -9.443 1.00 0.00 O ATOM 230 CB ASN A 15 6.622 -7.415 -9.573 1.00 0.00 C ATOM 231 CG ASN A 15 5.852 -7.447 -10.902 1.00 0.00 C ATOM 232 OD1 ASN A 15 4.787 -6.845 -11.049 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.374 -8.179 -11.870 1.00 0.00 N ATOM 0 H ASN A 15 4.383 -6.604 -8.883 1.00 0.00 H new ATOM 0 HA ASN A 15 6.977 -6.214 -7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.685 -7.537 -9.782 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.315 -8.270 -8.971 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.894 -8.256 -12.767 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.257 -8.667 -11.721 1.00 0.00 H new ATOM 240 N ASP A 16 6.119 -4.106 -10.125 1.00 0.00 N ATOM 241 CA ASP A 16 6.485 -2.876 -10.869 1.00 0.00 C ATOM 242 C ASP A 16 6.793 -1.705 -9.910 1.00 0.00 C ATOM 243 O ASP A 16 7.629 -0.849 -10.222 1.00 0.00 O ATOM 244 CB ASP A 16 5.334 -2.477 -11.844 1.00 0.00 C ATOM 245 CG ASP A 16 5.679 -1.316 -12.798 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.760 -1.355 -13.425 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.860 -0.379 -12.961 1.00 0.00 O ATOM 0 H ASP A 16 5.120 -4.309 -10.149 1.00 0.00 H new ATOM 0 HA ASP A 16 7.388 -3.088 -11.441 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.059 -3.349 -12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.457 -2.201 -11.258 1.00 0.00 H new ATOM 252 N PHE A 17 6.117 -1.674 -8.739 1.00 0.00 N ATOM 253 CA PHE A 17 6.225 -0.549 -7.771 1.00 0.00 C ATOM 254 C PHE A 17 6.909 -1.029 -6.470 1.00 0.00 C ATOM 255 O PHE A 17 6.945 -2.228 -6.188 1.00 0.00 O ATOM 256 CB PHE A 17 4.812 0.034 -7.418 1.00 0.00 C ATOM 257 CG PHE A 17 3.772 -0.012 -8.549 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.806 0.902 -9.585 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.767 -0.975 -8.570 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.885 0.863 -10.609 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.840 -1.014 -9.596 1.00 0.00 C ATOM 262 CZ PHE A 17 1.901 -0.097 -10.616 1.00 0.00 C ATOM 0 H PHE A 17 5.487 -2.417 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 17 6.823 0.233 -8.239 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.416 -0.514 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.935 1.070 -7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.572 1.664 -9.592 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.710 -1.702 -7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.936 1.588 -11.408 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.066 -1.768 -9.595 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.180 -0.130 -11.419 1.00 0.00 H new ATOM 272 N ILE A 18 7.454 -0.079 -5.690 1.00 0.00 N ATOM 273 CA ILE A 18 7.868 -0.320 -4.292 1.00 0.00 C ATOM 274 C ILE A 18 6.602 -0.258 -3.423 1.00 0.00 C ATOM 275 O ILE A 18 6.042 0.822 -3.224 1.00 0.00 O ATOM 276 CB ILE A 18 8.899 0.758 -3.778 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.121 0.890 -4.743 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.364 0.439 -2.328 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.074 2.027 -4.393 1.00 0.00 C ATOM 0 H ILE A 18 7.621 0.876 -6.008 1.00 0.00 H new ATOM 0 HA ILE A 18 8.361 -1.290 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 18 8.387 1.720 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.676 -0.048 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.753 1.039 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.074 1.198 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.501 0.436 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.843 -0.540 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.894 2.049 -5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.537 2.975 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.474 1.871 -3.391 1.00 0.00 H new ATOM 291 N VAL A 19 6.138 -1.405 -2.922 1.00 0.00 N ATOM 292 CA VAL A 19 4.818 -1.482 -2.276 1.00 0.00 C ATOM 293 C VAL A 19 4.943 -1.113 -0.784 1.00 0.00 C ATOM 294 O VAL A 19 6.026 -1.214 -0.194 1.00 0.00 O ATOM 295 CB VAL A 19 4.178 -2.911 -2.474 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.687 -2.937 -2.082 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.359 -3.407 -3.925 1.00 0.00 C ATOM 0 H VAL A 19 6.648 -2.288 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 19 4.148 -0.763 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 19 4.709 -3.589 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.288 -3.940 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.582 -2.660 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.136 -2.229 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.908 -4.394 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.875 -2.711 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.422 -3.467 -4.159 1.00 0.00 H new ATOM 307 N VAL A 20 3.835 -0.632 -0.197 1.00 0.00 N ATOM 308 CA VAL A 20 3.717 -0.318 1.240 1.00 0.00 C ATOM 309 C VAL A 20 2.401 -0.910 1.750 1.00 0.00 C ATOM 310 O VAL A 20 1.339 -0.655 1.177 1.00 0.00 O ATOM 311 CB VAL A 20 3.750 1.238 1.528 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.471 1.564 3.017 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.096 1.858 1.095 1.00 0.00 C ATOM 0 H VAL A 20 2.978 -0.446 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 20 4.573 -0.751 1.757 1.00 0.00 H new ATOM 0 HB VAL A 20 2.950 1.680 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.504 2.643 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.485 1.190 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.227 1.088 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.088 2.927 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.909 1.385 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.243 1.699 0.027 1.00 0.00 H new ATOM 323 N ASP A 21 2.482 -1.728 2.806 1.00 0.00 N ATOM 324 CA ASP A 21 1.297 -2.280 3.468 1.00 0.00 C ATOM 325 C ASP A 21 0.854 -1.267 4.525 1.00 0.00 C ATOM 326 O ASP A 21 1.535 -1.127 5.533 1.00 0.00 O ATOM 327 CB ASP A 21 1.624 -3.660 4.134 1.00 0.00 C ATOM 328 CG ASP A 21 0.407 -4.601 4.198 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.714 -4.135 4.476 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.558 -5.807 3.886 1.00 0.00 O ATOM 0 H ASP A 21 3.365 -2.024 3.222 1.00 0.00 H new ATOM 0 HA ASP A 21 0.502 -2.453 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.423 -4.147 3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.998 -3.490 5.143 1.00 0.00 H new ATOM 335 N VAL A 22 -0.253 -0.534 4.262 1.00 0.00 N ATOM 336 CA VAL A 22 -0.758 0.508 5.194 1.00 0.00 C ATOM 337 C VAL A 22 -1.929 -0.023 6.033 1.00 0.00 C ATOM 338 O VAL A 22 -3.098 0.193 5.701 1.00 0.00 O ATOM 339 CB VAL A 22 -1.168 1.843 4.439 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.082 2.688 4.094 1.00 0.00 C ATOM 341 CG2 VAL A 22 -1.989 1.533 3.165 1.00 0.00 C ATOM 0 H VAL A 22 -0.813 -0.642 3.417 1.00 0.00 H new ATOM 0 HA VAL A 22 0.064 0.757 5.865 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.798 2.426 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.225 3.597 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.607 2.952 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.745 2.111 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.256 2.466 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.394 0.919 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.897 0.995 3.439 1.00 0.00 H new ATOM 351 N ARG A 23 -1.607 -0.736 7.129 1.00 0.00 N ATOM 352 CA ARG A 23 -2.624 -1.266 8.070 1.00 0.00 C ATOM 353 C ARG A 23 -2.035 -1.348 9.507 1.00 0.00 C ATOM 354 O ARG A 23 -2.196 -0.394 10.271 1.00 0.00 O ATOM 355 CB ARG A 23 -3.188 -2.652 7.614 1.00 0.00 C ATOM 356 CG ARG A 23 -4.062 -2.671 6.330 1.00 0.00 C ATOM 357 CD ARG A 23 -4.467 -4.098 5.902 1.00 0.00 C ATOM 358 NE ARG A 23 -3.299 -4.927 5.548 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.323 -6.225 5.193 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.447 -6.931 5.219 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.192 -6.819 4.857 1.00 0.00 N ATOM 0 H ARG A 23 -0.647 -0.961 7.389 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.464 -0.572 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.346 -3.326 7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.780 -3.063 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.961 -2.079 6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.515 -2.194 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.017 -4.576 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.142 -4.041 5.048 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.386 -4.473 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.319 -6.491 5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.439 -7.913 4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.317 -6.294 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.193 -7.802 4.586 1.00 0.00 H new ATOM 375 N GLU A 24 -1.317 -2.466 9.846 1.00 0.00 N ATOM 376 CA GLU A 24 -0.880 -2.798 11.248 1.00 0.00 C ATOM 377 C GLU A 24 0.266 -3.855 11.277 1.00 0.00 C ATOM 378 O GLU A 24 0.549 -4.531 10.288 1.00 0.00 O ATOM 379 CB GLU A 24 -2.087 -3.354 12.104 1.00 0.00 C ATOM 380 CG GLU A 24 -3.058 -2.302 12.685 1.00 0.00 C ATOM 381 CD GLU A 24 -2.391 -1.349 13.701 1.00 0.00 C ATOM 382 OE1 GLU A 24 -2.254 -1.732 14.886 1.00 0.00 O ATOM 383 OE2 GLU A 24 -1.996 -0.221 13.325 1.00 0.00 O ATOM 0 H GLU A 24 -1.025 -3.161 9.159 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.512 -1.865 11.676 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.660 -4.041 11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.680 -3.937 12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.477 -1.715 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.890 -2.814 13.169 1.00 0.00 H new ATOM 390 N LEU A 25 0.904 -4.010 12.457 1.00 0.00 N ATOM 391 CA LEU A 25 1.839 -5.126 12.720 1.00 0.00 C ATOM 392 C LEU A 25 1.048 -6.449 12.791 1.00 0.00 C ATOM 393 O LEU A 25 1.508 -7.477 12.311 1.00 0.00 O ATOM 394 CB LEU A 25 2.623 -4.893 14.045 1.00 0.00 C ATOM 395 CG LEU A 25 3.538 -6.069 14.533 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.679 -6.363 13.539 1.00 0.00 C ATOM 397 CD2 LEU A 25 4.090 -5.806 15.952 1.00 0.00 C ATOM 0 H LEU A 25 0.788 -3.374 13.246 1.00 0.00 H new ATOM 0 HA LEU A 25 2.563 -5.179 11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.244 -4.006 13.922 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.903 -4.671 14.833 1.00 0.00 H new ATOM 0 HG LEU A 25 2.911 -6.959 14.579 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.288 -7.184 13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.257 -6.639 12.572 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.300 -5.474 13.424 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.720 -6.641 16.258 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.680 -4.889 15.949 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.261 -5.702 16.651 1.00 0.00 H new ATOM 409 N ASP A 26 -0.156 -6.370 13.378 1.00 0.00 N ATOM 410 CA ASP A 26 -1.086 -7.508 13.537 1.00 0.00 C ATOM 411 C ASP A 26 -1.333 -8.249 12.202 1.00 0.00 C ATOM 412 O ASP A 26 -1.214 -9.489 12.134 1.00 0.00 O ATOM 413 CB ASP A 26 -2.416 -6.970 14.123 1.00 0.00 C ATOM 414 CG ASP A 26 -3.535 -8.022 14.255 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.490 -8.846 15.198 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.477 -8.015 13.429 1.00 0.00 O ATOM 0 H ASP A 26 -0.521 -5.499 13.764 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.642 -8.237 14.214 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.218 -6.545 15.107 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.773 -6.157 13.491 1.00 0.00 H new ATOM 421 N GLU A 27 -1.656 -7.474 11.139 1.00 0.00 N ATOM 422 CA GLU A 27 -1.875 -8.042 9.798 1.00 0.00 C ATOM 423 C GLU A 27 -0.562 -8.550 9.205 1.00 0.00 C ATOM 424 O GLU A 27 -0.554 -9.607 8.610 1.00 0.00 O ATOM 425 CB GLU A 27 -2.595 -7.047 8.847 1.00 0.00 C ATOM 426 CG GLU A 27 -1.938 -5.659 8.699 1.00 0.00 C ATOM 427 CD GLU A 27 -0.780 -5.491 7.661 1.00 0.00 C ATOM 428 OE1 GLU A 27 -0.422 -6.446 6.950 1.00 0.00 O ATOM 429 OE2 GLU A 27 -0.247 -4.365 7.552 1.00 0.00 O ATOM 0 H GLU A 27 -1.769 -6.461 11.189 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.545 -8.895 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.662 -7.503 7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.616 -6.908 9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.722 -4.947 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.553 -5.368 9.676 1.00 0.00 H new ATOM 436 N TYR A 28 0.551 -7.806 9.402 1.00 0.00 N ATOM 437 CA TYR A 28 1.891 -8.231 8.938 1.00 0.00 C ATOM 438 C TYR A 28 2.215 -9.670 9.405 1.00 0.00 C ATOM 439 O TYR A 28 2.799 -10.474 8.658 1.00 0.00 O ATOM 440 CB TYR A 28 2.953 -7.221 9.446 1.00 0.00 C ATOM 441 CG TYR A 28 4.416 -7.676 9.296 1.00 0.00 C ATOM 442 CD1 TYR A 28 5.124 -7.475 8.113 1.00 0.00 C ATOM 443 CD2 TYR A 28 5.074 -8.329 10.344 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.429 -7.898 7.984 1.00 0.00 C ATOM 445 CE2 TYR A 28 6.372 -8.756 10.212 1.00 0.00 C ATOM 446 CZ TYR A 28 7.043 -8.541 9.033 1.00 0.00 C ATOM 447 OH TYR A 28 8.339 -8.979 8.897 1.00 0.00 O ATOM 0 H TYR A 28 0.546 -6.905 9.881 1.00 0.00 H new ATOM 0 HA TYR A 28 1.904 -8.240 7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.825 -6.282 8.908 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.760 -7.014 10.499 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.642 -6.979 7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.551 -8.500 11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.967 -7.725 7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.863 -9.259 11.032 1.00 0.00 H new ATOM 0 HH TYR A 28 8.627 -9.412 9.728 1.00 0.00 H new ATOM 457 N GLU A 29 1.788 -9.971 10.637 1.00 0.00 N ATOM 458 CA GLU A 29 2.051 -11.250 11.302 1.00 0.00 C ATOM 459 C GLU A 29 1.161 -12.384 10.755 1.00 0.00 C ATOM 460 O GLU A 29 1.623 -13.521 10.643 1.00 0.00 O ATOM 461 CB GLU A 29 1.876 -11.081 12.837 1.00 0.00 C ATOM 462 CG GLU A 29 2.844 -10.055 13.462 1.00 0.00 C ATOM 463 CD GLU A 29 2.696 -9.913 14.981 1.00 0.00 C ATOM 464 OE1 GLU A 29 1.786 -9.180 15.431 1.00 0.00 O ATOM 465 OE2 GLU A 29 3.475 -10.543 15.735 1.00 0.00 O ATOM 0 H GLU A 29 1.243 -9.324 11.207 1.00 0.00 H new ATOM 0 HA GLU A 29 3.080 -11.541 11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.851 -10.774 13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.024 -12.047 13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.868 -10.348 13.232 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.679 -9.083 12.997 1.00 0.00 H new ATOM 472 N GLU A 30 -0.112 -12.082 10.418 1.00 0.00 N ATOM 473 CA GLU A 30 -1.055 -13.121 9.908 1.00 0.00 C ATOM 474 C GLU A 30 -0.980 -13.286 8.367 1.00 0.00 C ATOM 475 O GLU A 30 -0.922 -14.418 7.875 1.00 0.00 O ATOM 476 CB GLU A 30 -2.504 -12.841 10.381 1.00 0.00 C ATOM 477 CG GLU A 30 -3.080 -11.479 9.983 1.00 0.00 C ATOM 478 CD GLU A 30 -4.545 -11.297 10.394 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.417 -12.000 9.837 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.842 -10.465 11.272 1.00 0.00 O ATOM 0 H GLU A 30 -0.512 -11.146 10.485 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.740 -14.073 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.154 -13.620 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.535 -12.925 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.481 -10.691 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.995 -11.358 8.903 1.00 0.00 H new ATOM 487 N LEU A 31 -0.985 -12.164 7.612 1.00 0.00 N ATOM 488 CA LEU A 31 -0.802 -12.161 6.136 1.00 0.00 C ATOM 489 C LEU A 31 -0.511 -10.742 5.606 1.00 0.00 C ATOM 490 O LEU A 31 -1.166 -9.764 5.993 1.00 0.00 O ATOM 491 CB LEU A 31 -2.001 -12.824 5.364 1.00 0.00 C ATOM 492 CG LEU A 31 -3.393 -12.081 5.181 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.892 -11.342 6.437 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.426 -11.152 3.945 1.00 0.00 C ATOM 0 H LEU A 31 -1.116 -11.232 8.006 1.00 0.00 H new ATOM 0 HA LEU A 31 0.071 -12.783 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.638 -13.064 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.212 -13.770 5.862 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.098 -12.894 5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.848 -10.864 6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.018 -12.054 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.164 -10.584 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.403 -10.674 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.654 -10.388 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.244 -11.738 3.044 1.00 0.00 H new ATOM 506 N HIS A 32 0.438 -10.653 4.668 1.00 0.00 N ATOM 507 CA HIS A 32 0.872 -9.366 4.083 1.00 0.00 C ATOM 508 C HIS A 32 1.655 -9.619 2.782 1.00 0.00 C ATOM 509 O HIS A 32 1.980 -10.770 2.464 1.00 0.00 O ATOM 510 CB HIS A 32 1.745 -8.567 5.105 1.00 0.00 C ATOM 511 CG HIS A 32 3.141 -9.105 5.290 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.410 -10.314 5.889 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.345 -8.598 4.925 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.706 -10.532 5.858 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.292 -9.510 5.286 1.00 0.00 N ATOM 0 H HIS A 32 0.929 -11.463 4.290 1.00 0.00 H new ATOM 0 HA HIS A 32 -0.010 -8.769 3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.810 -7.530 4.776 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.240 -8.564 6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.521 -7.649 4.439 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.205 -11.410 6.241 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.296 -9.412 5.135 1.00 0.00 H new ATOM 524 N LEU A 33 1.954 -8.542 2.035 1.00 0.00 N ATOM 525 CA LEU A 33 2.828 -8.618 0.842 1.00 0.00 C ATOM 526 C LEU A 33 4.324 -8.546 1.243 1.00 0.00 C ATOM 527 O LEU A 33 4.696 -7.695 2.057 1.00 0.00 O ATOM 528 CB LEU A 33 2.494 -7.492 -0.176 1.00 0.00 C ATOM 529 CG LEU A 33 1.326 -7.775 -1.157 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.953 -6.506 -1.950 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.662 -8.930 -2.129 1.00 0.00 C ATOM 0 H LEU A 33 1.604 -7.605 2.234 1.00 0.00 H new ATOM 0 HA LEU A 33 2.641 -9.579 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.260 -6.585 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.389 -7.284 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 33 0.469 -8.079 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.132 -6.731 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.647 -5.722 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.817 -6.168 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.819 -9.098 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.544 -8.669 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.859 -9.839 -1.560 1.00 0.00 H new ATOM 543 N PRO A 34 5.195 -9.431 0.650 1.00 0.00 N ATOM 544 CA PRO A 34 6.661 -9.448 0.909 1.00 0.00 C ATOM 545 C PRO A 34 7.326 -8.089 0.614 1.00 0.00 C ATOM 546 O PRO A 34 8.053 -7.529 1.435 1.00 0.00 O ATOM 547 CB PRO A 34 7.201 -10.543 -0.062 1.00 0.00 C ATOM 548 CG PRO A 34 6.072 -10.880 -0.994 1.00 0.00 C ATOM 549 CD PRO A 34 4.794 -10.491 -0.308 1.00 0.00 C ATOM 0 HA PRO A 34 6.881 -9.651 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.066 -10.178 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.525 -11.425 0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.180 -10.345 -1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.073 -11.944 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.057 -10.123 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.344 -11.341 0.206 1.00 0.00 H new ATOM 557 N ASN A 35 7.017 -7.583 -0.577 1.00 0.00 N ATOM 558 CA ASN A 35 7.565 -6.335 -1.142 1.00 0.00 C ATOM 559 C ASN A 35 6.807 -5.084 -0.647 1.00 0.00 C ATOM 560 O ASN A 35 7.023 -3.972 -1.164 1.00 0.00 O ATOM 561 CB ASN A 35 7.519 -6.453 -2.688 1.00 0.00 C ATOM 562 CG ASN A 35 6.121 -6.765 -3.264 1.00 0.00 C ATOM 563 OD1 ASN A 35 5.205 -7.229 -2.572 1.00 0.00 O ATOM 564 ND2 ASN A 35 5.962 -6.576 -4.551 1.00 0.00 N ATOM 0 H ASN A 35 6.355 -8.041 -1.204 1.00 0.00 H new ATOM 0 HA ASN A 35 8.593 -6.206 -0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.877 -5.519 -3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.210 -7.236 -3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.075 -6.812 -4.995 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.726 -6.193 -5.108 1.00 0.00 H new ATOM 571 N ALA A 36 5.918 -5.279 0.344 1.00 0.00 N ATOM 572 CA ALA A 36 5.207 -4.187 1.020 1.00 0.00 C ATOM 573 C ALA A 36 5.922 -3.789 2.319 1.00 0.00 C ATOM 574 O ALA A 36 6.237 -4.645 3.155 1.00 0.00 O ATOM 575 CB ALA A 36 3.759 -4.579 1.300 1.00 0.00 C ATOM 0 H ALA A 36 5.674 -6.204 0.697 1.00 0.00 H new ATOM 0 HA ALA A 36 5.206 -3.322 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.250 -3.756 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.254 -4.800 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.738 -5.462 1.939 1.00 0.00 H new ATOM 581 N THR A 37 6.178 -2.481 2.459 1.00 0.00 N ATOM 582 CA THR A 37 6.790 -1.891 3.651 1.00 0.00 C ATOM 583 C THR A 37 5.737 -1.795 4.773 1.00 0.00 C ATOM 584 O THR A 37 4.672 -1.207 4.562 1.00 0.00 O ATOM 585 CB THR A 37 7.341 -0.466 3.316 1.00 0.00 C ATOM 586 OG1 THR A 37 8.137 -0.524 2.118 1.00 0.00 O ATOM 587 CG2 THR A 37 8.182 0.128 4.463 1.00 0.00 C ATOM 0 H THR A 37 5.961 -1.796 1.735 1.00 0.00 H new ATOM 0 HA THR A 37 7.616 -2.520 3.983 1.00 0.00 H new ATOM 0 HB THR A 37 6.480 0.187 3.171 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.473 0.372 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.539 1.117 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.568 0.209 5.360 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.034 -0.522 4.664 1.00 0.00 H new ATOM 595 N LEU A 38 6.033 -2.393 5.942 1.00 0.00 N ATOM 596 CA LEU A 38 5.135 -2.359 7.114 1.00 0.00 C ATOM 597 C LEU A 38 5.063 -0.903 7.635 1.00 0.00 C ATOM 598 O LEU A 38 6.022 -0.406 8.235 1.00 0.00 O ATOM 599 CB LEU A 38 5.665 -3.316 8.235 1.00 0.00 C ATOM 600 CG LEU A 38 4.657 -3.873 9.318 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.431 -4.454 10.524 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.598 -2.853 9.796 1.00 0.00 C ATOM 0 H LEU A 38 6.897 -2.911 6.102 1.00 0.00 H new ATOM 0 HA LEU A 38 4.139 -2.698 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.124 -4.174 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.459 -2.790 8.766 1.00 0.00 H new ATOM 0 HG LEU A 38 4.095 -4.662 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.724 -4.834 11.261 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.074 -5.267 10.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.041 -3.672 10.976 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.950 -3.321 10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.097 -1.993 10.242 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.999 -2.525 8.946 1.00 0.00 H new ATOM 614 N ILE A 39 3.950 -0.231 7.336 1.00 0.00 N ATOM 615 CA ILE A 39 3.607 1.096 7.877 1.00 0.00 C ATOM 616 C ILE A 39 2.114 1.072 8.240 1.00 0.00 C ATOM 617 O ILE A 39 1.317 0.449 7.549 1.00 0.00 O ATOM 618 CB ILE A 39 3.916 2.262 6.841 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.451 2.329 6.521 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.409 3.641 7.344 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.872 3.333 5.453 1.00 0.00 C ATOM 0 H ILE A 39 3.243 -0.597 6.698 1.00 0.00 H new ATOM 0 HA ILE A 39 4.218 1.301 8.756 1.00 0.00 H new ATOM 0 HB ILE A 39 3.373 2.028 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.983 2.565 7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.780 1.338 6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.642 4.406 6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.330 3.599 7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.898 3.887 8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.953 3.289 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.379 3.091 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.586 4.337 5.765 1.00 0.00 H new ATOM 633 N SER A 40 1.726 1.712 9.337 1.00 0.00 N ATOM 634 CA SER A 40 0.303 1.832 9.683 1.00 0.00 C ATOM 635 C SER A 40 -0.268 3.104 9.031 1.00 0.00 C ATOM 636 O SER A 40 0.454 4.088 8.849 1.00 0.00 O ATOM 637 CB SER A 40 0.112 1.839 11.207 1.00 0.00 C ATOM 638 OG SER A 40 0.748 0.716 11.813 1.00 0.00 O ATOM 0 H SER A 40 2.364 2.153 9.999 1.00 0.00 H new ATOM 0 HA SER A 40 -0.242 0.969 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.521 2.760 11.623 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.952 1.828 11.443 1.00 0.00 H new ATOM 0 HG SER A 40 0.103 0.238 12.375 1.00 0.00 H new ATOM 644 N VAL A 41 -1.555 3.057 8.644 1.00 0.00 N ATOM 645 CA VAL A 41 -2.285 4.210 8.062 1.00 0.00 C ATOM 646 C VAL A 41 -2.243 5.461 8.993 1.00 0.00 C ATOM 647 O VAL A 41 -2.287 6.590 8.517 1.00 0.00 O ATOM 648 CB VAL A 41 -3.777 3.813 7.755 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.543 3.470 9.056 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.505 4.907 6.929 1.00 0.00 C ATOM 0 H VAL A 41 -2.126 2.216 8.724 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.783 4.476 7.132 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.757 2.914 7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.571 3.200 8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.056 2.632 9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.543 4.336 9.718 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.532 4.595 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.508 5.843 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.987 5.052 5.981 1.00 0.00 H new ATOM 660 N ASN A 42 -2.141 5.220 10.318 1.00 0.00 N ATOM 661 CA ASN A 42 -2.079 6.278 11.358 1.00 0.00 C ATOM 662 C ASN A 42 -0.662 6.876 11.513 1.00 0.00 C ATOM 663 O ASN A 42 -0.487 7.894 12.193 1.00 0.00 O ATOM 664 CB ASN A 42 -2.560 5.706 12.718 1.00 0.00 C ATOM 665 CG ASN A 42 -1.819 4.428 13.137 1.00 0.00 C ATOM 666 OD1 ASN A 42 -2.276 3.320 12.857 1.00 0.00 O ATOM 667 ND2 ASN A 42 -0.658 4.566 13.767 1.00 0.00 N ATOM 0 H ASN A 42 -2.099 4.276 10.703 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.736 7.086 11.037 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.427 6.464 13.490 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.628 5.495 12.658 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.120 3.741 14.032 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.304 5.497 13.986 1.00 0.00 H new ATOM 674 N ASP A 43 0.342 6.219 10.915 1.00 0.00 N ATOM 675 CA ASP A 43 1.748 6.658 10.972 1.00 0.00 C ATOM 676 C ASP A 43 2.055 7.615 9.821 1.00 0.00 C ATOM 677 O ASP A 43 2.527 7.204 8.758 1.00 0.00 O ATOM 678 CB ASP A 43 2.717 5.438 10.958 1.00 0.00 C ATOM 679 CG ASP A 43 2.633 4.571 12.223 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.491 5.123 13.330 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.777 3.344 12.130 1.00 0.00 O ATOM 0 H ASP A 43 0.203 5.365 10.375 1.00 0.00 H new ATOM 0 HA ASP A 43 1.902 7.191 11.911 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.496 4.819 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.739 5.798 10.842 1.00 0.00 H new ATOM 686 N GLN A 44 1.730 8.899 10.040 1.00 0.00 N ATOM 687 CA GLN A 44 2.022 9.981 9.092 1.00 0.00 C ATOM 688 C GLN A 44 3.531 10.254 9.040 1.00 0.00 C ATOM 689 O GLN A 44 4.099 10.391 7.960 1.00 0.00 O ATOM 690 CB GLN A 44 1.237 11.286 9.457 1.00 0.00 C ATOM 691 CG GLN A 44 -0.249 11.313 9.028 1.00 0.00 C ATOM 692 CD GLN A 44 -1.088 10.185 9.622 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.638 10.303 10.717 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.221 9.093 8.892 1.00 0.00 N ATOM 0 H GLN A 44 1.255 9.215 10.885 1.00 0.00 H new ATOM 0 HA GLN A 44 1.691 9.661 8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.288 11.430 10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.745 12.135 8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.684 12.268 9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.304 11.259 7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.753 9.024 7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.792 8.319 9.232 1.00 0.00 H new ATOM 703 N GLU A 45 4.165 10.307 10.218 1.00 0.00 N ATOM 704 CA GLU A 45 5.609 10.606 10.345 1.00 0.00 C ATOM 705 C GLU A 45 6.489 9.503 9.713 1.00 0.00 C ATOM 706 O GLU A 45 7.521 9.809 9.116 1.00 0.00 O ATOM 707 CB GLU A 45 5.999 10.895 11.835 1.00 0.00 C ATOM 708 CG GLU A 45 5.260 10.065 12.911 1.00 0.00 C ATOM 709 CD GLU A 45 5.558 8.557 12.889 1.00 0.00 C ATOM 710 OE1 GLU A 45 6.654 8.142 13.317 1.00 0.00 O ATOM 711 OE2 GLU A 45 4.690 7.781 12.440 1.00 0.00 O ATOM 0 H GLU A 45 3.699 10.145 11.111 1.00 0.00 H new ATOM 0 HA GLU A 45 5.805 11.516 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.070 10.725 11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.821 11.951 12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.522 10.457 13.894 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.187 10.210 12.786 1.00 0.00 H new ATOM 718 N LYS A 46 6.051 8.234 9.830 1.00 0.00 N ATOM 719 CA LYS A 46 6.792 7.070 9.297 1.00 0.00 C ATOM 720 C LYS A 46 6.567 6.932 7.785 1.00 0.00 C ATOM 721 O LYS A 46 7.491 6.581 7.034 1.00 0.00 O ATOM 722 CB LYS A 46 6.366 5.770 10.034 1.00 0.00 C ATOM 723 CG LYS A 46 7.035 4.435 9.574 1.00 0.00 C ATOM 724 CD LYS A 46 8.556 4.305 9.910 1.00 0.00 C ATOM 725 CE LYS A 46 9.489 4.977 8.880 1.00 0.00 C ATOM 726 NZ LYS A 46 10.927 4.849 9.235 1.00 0.00 N ATOM 0 H LYS A 46 5.177 7.986 10.294 1.00 0.00 H new ATOM 0 HA LYS A 46 7.856 7.231 9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.571 5.902 11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.287 5.660 9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.504 3.603 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.907 4.335 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.739 4.744 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.812 3.248 9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.321 4.532 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.232 6.033 8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.475 5.575 8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.044 4.977 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.269 3.905 8.963 1.00 0.00 H new ATOM 740 N LEU A 47 5.339 7.223 7.341 1.00 0.00 N ATOM 741 CA LEU A 47 4.982 7.112 5.915 1.00 0.00 C ATOM 742 C LEU A 47 5.701 8.200 5.103 1.00 0.00 C ATOM 743 O LEU A 47 6.354 7.916 4.094 1.00 0.00 O ATOM 744 CB LEU A 47 3.457 7.216 5.726 1.00 0.00 C ATOM 745 CG LEU A 47 2.928 7.012 4.271 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.310 5.620 3.701 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.406 7.233 4.216 1.00 0.00 C ATOM 0 H LEU A 47 4.577 7.536 7.942 1.00 0.00 H new ATOM 0 HA LEU A 47 5.303 6.136 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.981 6.477 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.135 8.198 6.073 1.00 0.00 H new ATOM 0 HG LEU A 47 3.411 7.757 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.921 5.523 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.395 5.519 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.882 4.839 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.054 7.087 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.911 6.521 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.174 8.248 4.538 1.00 0.00 H new ATOM 759 N ALA A 48 5.593 9.440 5.600 1.00 0.00 N ATOM 760 CA ALA A 48 6.222 10.620 4.997 1.00 0.00 C ATOM 761 C ALA A 48 7.755 10.548 5.091 1.00 0.00 C ATOM 762 O ALA A 48 8.434 11.115 4.243 1.00 0.00 O ATOM 763 CB ALA A 48 5.688 11.894 5.664 1.00 0.00 C ATOM 0 H ALA A 48 5.059 9.653 6.443 1.00 0.00 H new ATOM 0 HA ALA A 48 5.965 10.644 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.159 12.767 5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.608 11.952 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.916 11.870 6.730 1.00 0.00 H new ATOM 769 N ASP A 49 8.280 9.844 6.123 1.00 0.00 N ATOM 770 CA ASP A 49 9.728 9.537 6.252 1.00 0.00 C ATOM 771 C ASP A 49 10.198 8.693 5.058 1.00 0.00 C ATOM 772 O ASP A 49 11.166 9.048 4.380 1.00 0.00 O ATOM 773 CB ASP A 49 10.011 8.771 7.576 1.00 0.00 C ATOM 774 CG ASP A 49 11.481 8.338 7.755 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.311 9.170 8.170 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.818 7.165 7.462 1.00 0.00 O ATOM 0 H ASP A 49 7.715 9.474 6.887 1.00 0.00 H new ATOM 0 HA ASP A 49 10.277 10.479 6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.725 9.403 8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.376 7.886 7.613 1.00 0.00 H new ATOM 781 N PHE A 50 9.468 7.588 4.811 1.00 0.00 N ATOM 782 CA PHE A 50 9.754 6.633 3.718 1.00 0.00 C ATOM 783 C PHE A 50 9.734 7.336 2.340 1.00 0.00 C ATOM 784 O PHE A 50 10.526 7.012 1.441 1.00 0.00 O ATOM 785 CB PHE A 50 8.720 5.472 3.761 1.00 0.00 C ATOM 786 CG PHE A 50 8.969 4.354 2.743 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.979 3.416 2.952 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.206 4.247 1.579 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.220 2.412 2.036 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.449 3.239 0.664 1.00 0.00 C ATOM 791 CZ PHE A 50 9.455 2.324 0.892 1.00 0.00 C ATOM 0 H PHE A 50 8.655 7.329 5.369 1.00 0.00 H new ATOM 0 HA PHE A 50 10.755 6.227 3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.721 5.040 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.725 5.884 3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.583 3.476 3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.417 4.960 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.008 1.695 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.849 3.168 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.644 1.539 0.175 1.00 0.00 H new ATOM 801 N LEU A 51 8.822 8.307 2.198 1.00 0.00 N ATOM 802 CA LEU A 51 8.677 9.102 0.969 1.00 0.00 C ATOM 803 C LEU A 51 9.750 10.211 0.882 1.00 0.00 C ATOM 804 O LEU A 51 10.135 10.605 -0.217 1.00 0.00 O ATOM 805 CB LEU A 51 7.253 9.706 0.893 1.00 0.00 C ATOM 806 CG LEU A 51 6.066 8.690 0.997 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.713 9.413 0.936 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.146 7.577 -0.075 1.00 0.00 C ATOM 0 H LEU A 51 8.163 8.565 2.932 1.00 0.00 H new ATOM 0 HA LEU A 51 8.825 8.440 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.148 10.439 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.160 10.247 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 51 6.153 8.203 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.907 8.683 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.640 10.119 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.630 9.950 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.300 6.899 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.118 8.026 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.076 7.021 0.046 1.00 0.00 H new ATOM 820 N SER A 52 10.213 10.704 2.044 1.00 0.00 N ATOM 821 CA SER A 52 11.216 11.793 2.132 1.00 0.00 C ATOM 822 C SER A 52 12.661 11.271 1.950 1.00 0.00 C ATOM 823 O SER A 52 13.591 12.076 1.804 1.00 0.00 O ATOM 824 CB SER A 52 11.076 12.538 3.481 1.00 0.00 C ATOM 825 OG SER A 52 11.853 13.728 3.512 1.00 0.00 O ATOM 0 H SER A 52 9.905 10.361 2.954 1.00 0.00 H new ATOM 0 HA SER A 52 11.019 12.487 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.028 12.784 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.386 11.880 4.293 1.00 0.00 H new ATOM 0 HG SER A 52 12.709 13.571 3.062 1.00 0.00 H new ATOM 831 N GLN A 53 12.849 9.931 1.999 1.00 0.00 N ATOM 832 CA GLN A 53 14.164 9.287 1.723 1.00 0.00 C ATOM 833 C GLN A 53 14.577 9.525 0.260 1.00 0.00 C ATOM 834 O GLN A 53 15.702 9.931 -0.045 1.00 0.00 O ATOM 835 CB GLN A 53 14.100 7.757 2.010 1.00 0.00 C ATOM 836 CG GLN A 53 13.689 7.385 3.446 1.00 0.00 C ATOM 837 CD GLN A 53 14.591 7.985 4.528 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.800 8.141 4.346 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.008 8.353 5.651 1.00 0.00 N ATOM 0 H GLN A 53 12.107 9.270 2.227 1.00 0.00 H new ATOM 0 HA GLN A 53 14.907 9.735 2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.394 7.301 1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.078 7.322 1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.665 7.716 3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.694 6.299 3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.005 8.212 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.559 8.779 6.396 1.00 0.00 H new ATOM 848 N HIS A 54 13.617 9.250 -0.615 1.00 0.00 N ATOM 849 CA HIS A 54 13.693 9.446 -2.060 1.00 0.00 C ATOM 850 C HIS A 54 12.276 9.805 -2.461 1.00 0.00 C ATOM 851 O HIS A 54 11.398 8.972 -2.304 1.00 0.00 O ATOM 852 CB HIS A 54 14.140 8.149 -2.817 1.00 0.00 C ATOM 853 CG HIS A 54 15.546 7.682 -2.506 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.668 8.159 -3.151 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.002 6.770 -1.607 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.743 7.572 -2.657 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.364 6.727 -1.722 1.00 0.00 N ATOM 0 H HIS A 54 12.719 8.865 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 54 14.430 10.208 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.444 7.346 -2.574 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.061 8.326 -3.890 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.399 6.187 -0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.761 7.755 -2.968 1.00 0.00 H new ATOM 0 HE2 HIS A 54 17.986 6.135 -1.172 1.00 0.00 H new ATOM 866 N LYS A 55 12.029 11.064 -2.826 1.00 0.00 N ATOM 867 CA LYS A 55 10.713 11.491 -3.356 1.00 0.00 C ATOM 868 C LYS A 55 10.536 11.016 -4.803 1.00 0.00 C ATOM 869 O LYS A 55 9.429 10.639 -5.201 1.00 0.00 O ATOM 870 CB LYS A 55 10.529 13.030 -3.256 1.00 0.00 C ATOM 871 CG LYS A 55 10.374 13.567 -1.809 1.00 0.00 C ATOM 872 CD LYS A 55 10.025 15.074 -1.763 1.00 0.00 C ATOM 873 CE LYS A 55 8.710 15.395 -2.495 1.00 0.00 C ATOM 874 NZ LYS A 55 8.417 16.846 -2.498 1.00 0.00 N ATOM 0 H LYS A 55 12.718 11.814 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 55 9.941 11.028 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.387 13.517 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.649 13.316 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.594 13.002 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.301 13.397 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.947 15.394 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.837 15.646 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.770 15.035 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.889 14.860 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.523 17.019 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.334 17.185 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.187 17.355 -2.977 1.00 0.00 H new ATOM 888 N ASP A 56 11.641 11.021 -5.571 1.00 0.00 N ATOM 889 CA ASP A 56 11.660 10.526 -6.954 1.00 0.00 C ATOM 890 C ASP A 56 11.789 8.989 -6.944 1.00 0.00 C ATOM 891 O ASP A 56 12.894 8.436 -6.986 1.00 0.00 O ATOM 892 CB ASP A 56 12.808 11.189 -7.773 1.00 0.00 C ATOM 893 CG ASP A 56 12.803 10.766 -9.261 1.00 0.00 C ATOM 894 OD1 ASP A 56 11.911 11.215 -10.009 1.00 0.00 O ATOM 895 OD2 ASP A 56 13.681 9.984 -9.690 1.00 0.00 O ATOM 0 H ASP A 56 12.544 11.369 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 56 10.725 10.797 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.716 12.273 -7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.767 10.923 -7.327 1.00 0.00 H new ATOM 900 N LYS A 57 10.635 8.330 -6.779 1.00 0.00 N ATOM 901 CA LYS A 57 10.489 6.862 -6.859 1.00 0.00 C ATOM 902 C LYS A 57 9.008 6.519 -7.141 1.00 0.00 C ATOM 903 O LYS A 57 8.142 7.411 -7.102 1.00 0.00 O ATOM 904 CB LYS A 57 11.002 6.167 -5.547 1.00 0.00 C ATOM 905 CG LYS A 57 10.025 6.105 -4.345 1.00 0.00 C ATOM 906 CD LYS A 57 9.429 7.471 -3.938 1.00 0.00 C ATOM 907 CE LYS A 57 8.671 7.419 -2.605 1.00 0.00 C ATOM 908 NZ LYS A 57 9.535 6.934 -1.485 1.00 0.00 N ATOM 0 H LYS A 57 9.756 8.808 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 57 11.104 6.482 -7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.293 5.147 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.904 6.685 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.209 5.424 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.548 5.680 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.232 8.205 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.753 7.815 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.291 8.412 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.806 6.763 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.978 6.898 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.891 5.983 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.338 7.583 -1.360 1.00 0.00 H new ATOM 922 N LYS A 58 8.707 5.245 -7.399 1.00 0.00 N ATOM 923 CA LYS A 58 7.328 4.790 -7.623 1.00 0.00 C ATOM 924 C LYS A 58 6.903 3.881 -6.462 1.00 0.00 C ATOM 925 O LYS A 58 7.404 2.767 -6.341 1.00 0.00 O ATOM 926 CB LYS A 58 7.226 4.072 -8.981 1.00 0.00 C ATOM 927 CG LYS A 58 5.785 3.951 -9.496 1.00 0.00 C ATOM 928 CD LYS A 58 5.714 3.658 -11.004 1.00 0.00 C ATOM 929 CE LYS A 58 6.457 2.375 -11.416 1.00 0.00 C ATOM 930 NZ LYS A 58 6.269 2.072 -12.858 1.00 0.00 N ATOM 0 H LYS A 58 9.404 4.503 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 58 6.650 5.643 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.823 4.612 -9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.657 3.075 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.275 3.156 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.249 4.877 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.669 3.574 -11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.134 4.503 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.520 2.485 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.097 1.538 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.696 1.210 -12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.783 2.867 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.196 1.926 -13.306 1.00 0.00 H new ATOM 944 N VAL A 59 6.016 4.395 -5.588 1.00 0.00 N ATOM 945 CA VAL A 59 5.526 3.667 -4.395 1.00 0.00 C ATOM 946 C VAL A 59 3.999 3.512 -4.437 1.00 0.00 C ATOM 947 O VAL A 59 3.279 4.450 -4.793 1.00 0.00 O ATOM 948 CB VAL A 59 6.002 4.368 -3.053 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.174 3.945 -1.817 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.492 4.067 -2.793 1.00 0.00 C ATOM 0 H VAL A 59 5.617 5.328 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 59 5.962 2.668 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 59 5.848 5.438 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.551 4.460 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.128 4.209 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.259 2.868 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.806 4.554 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.635 2.990 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.090 4.444 -3.623 1.00 0.00 H new ATOM 960 N LEU A 60 3.536 2.307 -4.050 1.00 0.00 N ATOM 961 CA LEU A 60 2.121 1.921 -4.066 1.00 0.00 C ATOM 962 C LEU A 60 1.660 1.486 -2.659 1.00 0.00 C ATOM 963 O LEU A 60 2.082 0.444 -2.161 1.00 0.00 O ATOM 964 CB LEU A 60 1.922 0.747 -5.054 1.00 0.00 C ATOM 965 CG LEU A 60 0.460 0.229 -5.207 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.412 1.250 -5.955 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.424 -1.145 -5.893 1.00 0.00 C ATOM 0 H LEU A 60 4.150 1.566 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 60 1.528 2.780 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.282 1.058 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.550 -0.084 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 60 0.044 0.107 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.427 0.863 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.431 2.188 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.002 1.424 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.610 -1.479 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.870 -1.068 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.986 -1.864 -5.297 1.00 0.00 H new ATOM 979 N LEU A 61 0.780 2.280 -2.040 1.00 0.00 N ATOM 980 CA LEU A 61 0.185 1.973 -0.721 1.00 0.00 C ATOM 981 C LEU A 61 -1.018 1.037 -0.921 1.00 0.00 C ATOM 982 O LEU A 61 -2.051 1.483 -1.383 1.00 0.00 O ATOM 983 CB LEU A 61 -0.281 3.286 -0.005 1.00 0.00 C ATOM 984 CG LEU A 61 0.819 4.220 0.607 1.00 0.00 C ATOM 985 CD1 LEU A 61 1.893 4.622 -0.417 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.163 5.478 1.217 1.00 0.00 C ATOM 0 H LEU A 61 0.454 3.161 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 61 0.935 1.489 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.855 3.872 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.964 3.005 0.796 1.00 0.00 H new ATOM 0 HG LEU A 61 1.325 3.653 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.628 5.268 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.388 3.728 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.425 5.155 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.934 6.122 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.376 6.020 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.533 5.181 2.002 1.00 0.00 H new ATOM 998 N HIS A 62 -0.883 -0.258 -0.613 1.00 0.00 N ATOM 999 CA HIS A 62 -2.005 -1.218 -0.762 1.00 0.00 C ATOM 1000 C HIS A 62 -2.751 -1.391 0.574 1.00 0.00 C ATOM 1001 O HIS A 62 -2.143 -1.323 1.653 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.512 -2.588 -1.305 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.986 -3.554 -0.267 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.784 -4.502 0.335 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.245 -3.727 0.255 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.064 -5.217 1.165 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.170 -4.767 1.135 1.00 0.00 N ATOM 0 H HIS A 62 -0.020 -0.672 -0.261 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.701 -0.808 -1.493 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.336 -3.066 -1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.725 -2.406 -2.037 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.781 -4.628 0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.127 -3.149 0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.424 -6.036 1.770 1.00 0.00 H new ATOM 1016 N CYS A 63 -4.064 -1.648 0.478 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.952 -1.870 1.647 1.00 0.00 C ATOM 1018 C CYS A 63 -5.762 -3.164 1.494 1.00 0.00 C ATOM 1019 O CYS A 63 -5.877 -3.691 0.386 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.896 -0.669 1.827 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.237 -0.917 3.014 1.00 0.00 S ATOM 0 H CYS A 63 -4.551 -1.710 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.326 -1.970 2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.307 0.192 2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.330 -0.420 0.859 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.751 -1.381 4.127 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.240 -3.697 2.648 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.175 -4.849 2.716 1.00 0.00 C ATOM 1029 C ARG A 64 -8.344 -4.699 1.719 1.00 0.00 C ATOM 1030 O ARG A 64 -8.716 -5.654 1.040 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.729 -5.007 4.158 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.607 -6.258 4.369 1.00 0.00 C ATOM 1033 CD ARG A 64 -9.234 -6.324 5.770 1.00 0.00 C ATOM 1034 NE ARG A 64 -10.197 -5.226 6.007 1.00 0.00 N ATOM 1035 CZ ARG A 64 -10.981 -5.101 7.096 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -10.957 -5.999 8.070 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -11.794 -4.062 7.209 1.00 0.00 N ATOM 0 H ARG A 64 -5.984 -3.335 3.567 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.614 -5.742 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.891 -5.044 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.313 -4.121 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.400 -6.268 3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.003 -7.150 4.205 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.740 -7.281 5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.445 -6.281 6.521 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.274 -4.506 5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.336 -6.806 8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.559 -5.884 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.826 -3.357 6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.388 -3.966 8.033 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.924 -3.486 1.666 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.926 -3.117 0.652 1.00 0.00 C ATOM 1053 C ALA A 65 -9.378 -1.981 -0.209 1.00 0.00 C ATOM 1054 O ALA A 65 -9.136 -2.165 -1.400 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.258 -2.712 1.304 1.00 0.00 C ATOM 0 H ALA A 65 -8.711 -2.736 2.324 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.124 -3.985 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.976 -2.445 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.646 -3.547 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.097 -1.856 1.959 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.164 -0.807 0.406 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.682 0.361 -0.325 1.00 0.00 C ATOM 1063 C GLY A 66 -8.787 1.661 0.454 1.00 0.00 C ATOM 1064 O GLY A 66 -8.169 2.649 0.052 1.00 0.00 O ATOM 0 H GLY A 66 -9.318 -0.648 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.641 0.199 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.249 0.457 -1.251 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.575 1.680 1.559 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.766 2.905 2.373 1.00 0.00 C ATOM 1070 C ARG A 67 -8.448 3.360 3.022 1.00 0.00 C ATOM 1071 O ARG A 67 -8.127 4.542 2.980 1.00 0.00 O ATOM 1072 CB ARG A 67 -10.848 2.718 3.475 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.021 3.941 4.418 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.449 5.228 3.664 1.00 0.00 C ATOM 1075 NE ARG A 67 -10.821 6.432 4.225 1.00 0.00 N ATOM 1076 CZ ARG A 67 -10.875 7.651 3.678 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.603 7.882 2.595 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.203 8.643 4.230 1.00 0.00 N ATOM 0 H ARG A 67 -10.085 0.866 1.904 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.110 3.676 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.804 2.505 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.591 1.845 4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.767 3.706 5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.082 4.127 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.181 5.137 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.533 5.331 3.709 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.304 6.330 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.133 7.124 2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.633 8.818 2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.647 8.478 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.240 9.575 3.818 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.712 2.414 3.633 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.429 2.715 4.315 1.00 0.00 C ATOM 1094 C ARG A 68 -5.389 3.262 3.312 1.00 0.00 C ATOM 1095 O ARG A 68 -4.592 4.141 3.639 1.00 0.00 O ATOM 1096 CB ARG A 68 -5.867 1.440 4.992 1.00 0.00 C ATOM 1097 CG ARG A 68 -6.805 0.751 6.001 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.160 1.637 7.197 1.00 0.00 C ATOM 1099 NE ARG A 68 -7.924 0.906 8.224 1.00 0.00 N ATOM 1100 CZ ARG A 68 -7.429 0.445 9.390 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -6.135 0.578 9.685 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -8.235 -0.139 10.257 1.00 0.00 N ATOM 0 H ARG A 68 -7.980 1.431 3.671 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.622 3.474 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.609 0.721 4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.941 1.701 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.722 0.455 5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.332 -0.162 6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.245 2.031 7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.742 2.492 6.853 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.912 0.734 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.506 1.034 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.775 0.224 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.227 -0.240 10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.866 -0.490 11.141 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.442 2.712 2.090 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.581 3.107 0.967 1.00 0.00 C ATOM 1118 C ALA A 69 -4.887 4.550 0.542 1.00 0.00 C ATOM 1119 O ALA A 69 -3.990 5.387 0.441 1.00 0.00 O ATOM 1120 CB ALA A 69 -4.801 2.129 -0.196 1.00 0.00 C ATOM 0 H ALA A 69 -6.096 1.967 1.851 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.535 3.068 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.166 2.413 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.547 1.119 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.846 2.160 -0.505 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.185 4.800 0.338 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.742 6.099 -0.062 1.00 0.00 C ATOM 1128 C LEU A 70 -6.433 7.184 0.980 1.00 0.00 C ATOM 1129 O LEU A 70 -5.999 8.278 0.629 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.284 5.947 -0.243 1.00 0.00 C ATOM 1131 CG LEU A 70 -9.086 7.242 -0.587 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.633 7.857 -1.926 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.609 6.974 -0.585 1.00 0.00 C ATOM 0 H LEU A 70 -6.900 4.082 0.450 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.283 6.409 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.463 5.218 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.694 5.528 0.676 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.872 7.971 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.215 8.756 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.575 8.115 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.788 7.136 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.141 7.894 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.845 6.212 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.916 6.627 0.402 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.635 6.836 2.257 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.544 7.777 3.392 1.00 0.00 C ATOM 1147 C ASP A 71 -5.099 8.247 3.590 1.00 0.00 C ATOM 1148 O ASP A 71 -4.824 9.454 3.661 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.056 7.099 4.690 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.034 8.026 5.924 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -7.975 8.832 6.088 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.077 7.956 6.728 1.00 0.00 O ATOM 0 H ASP A 71 -6.869 5.884 2.539 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.167 8.643 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.075 6.748 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.445 6.220 4.896 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.190 7.270 3.682 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.763 7.513 3.888 1.00 0.00 C ATOM 1159 C ALA A 72 -2.149 8.282 2.700 1.00 0.00 C ATOM 1160 O ALA A 72 -1.351 9.212 2.893 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.051 6.174 4.122 1.00 0.00 C ATOM 0 H ALA A 72 -4.429 6.281 3.615 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.631 8.141 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.986 6.350 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.470 5.688 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.190 5.531 3.253 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.562 7.912 1.473 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.107 8.583 0.247 1.00 0.00 C ATOM 1169 C ALA A 73 -2.623 10.033 0.190 1.00 0.00 C ATOM 1170 O ALA A 73 -1.873 10.922 -0.213 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.532 7.793 -1.000 1.00 0.00 C ATOM 0 H ALA A 73 -3.215 7.146 1.307 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.018 8.618 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.184 8.310 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.096 6.795 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.619 7.713 -1.027 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.894 10.262 0.631 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.505 11.619 0.705 1.00 0.00 C ATOM 1179 C LYS A 74 -3.655 12.526 1.569 1.00 0.00 C ATOM 1180 O LYS A 74 -3.201 13.563 1.102 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.967 11.585 1.256 1.00 0.00 C ATOM 1182 CG LYS A 74 -7.033 11.239 0.201 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.470 11.287 0.755 1.00 0.00 C ATOM 1184 CE LYS A 74 -9.519 11.056 -0.339 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.549 12.150 -1.345 1.00 0.00 N ATOM 0 H LYS A 74 -4.517 9.517 0.942 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.547 12.007 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.022 10.855 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.203 12.557 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.948 11.935 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.835 10.242 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.584 10.530 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.644 12.255 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.312 10.111 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.503 10.963 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.450 12.664 -1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.761 12.806 -1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.457 11.747 -2.299 1.00 0.00 H new ATOM 1199 N SER A 75 -3.404 12.062 2.801 1.00 0.00 N ATOM 1200 CA SER A 75 -2.610 12.777 3.816 1.00 0.00 C ATOM 1201 C SER A 75 -1.265 13.281 3.243 1.00 0.00 C ATOM 1202 O SER A 75 -0.906 14.441 3.429 1.00 0.00 O ATOM 1203 CB SER A 75 -2.360 11.850 5.031 1.00 0.00 C ATOM 1204 OG SER A 75 -3.574 11.294 5.508 1.00 0.00 O ATOM 0 H SER A 75 -3.753 11.161 3.129 1.00 0.00 H new ATOM 0 HA SER A 75 -3.178 13.652 4.133 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.677 11.050 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.876 12.414 5.829 1.00 0.00 H new ATOM 0 HG SER A 75 -3.859 10.570 4.912 1.00 0.00 H new ATOM 1210 N MET A 76 -0.572 12.405 2.486 1.00 0.00 N ATOM 1211 CA MET A 76 0.756 12.706 1.902 1.00 0.00 C ATOM 1212 C MET A 76 0.669 13.583 0.647 1.00 0.00 C ATOM 1213 O MET A 76 1.578 14.373 0.388 1.00 0.00 O ATOM 1214 CB MET A 76 1.531 11.396 1.635 1.00 0.00 C ATOM 1215 CG MET A 76 2.088 10.783 2.922 1.00 0.00 C ATOM 1216 SD MET A 76 0.826 10.612 4.193 1.00 0.00 S ATOM 1217 CE MET A 76 1.798 10.696 5.683 1.00 0.00 C ATOM 0 H MET A 76 -0.914 11.471 2.262 1.00 0.00 H new ATOM 0 HA MET A 76 1.310 13.294 2.634 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.871 10.678 1.148 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.351 11.595 0.945 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.515 9.804 2.702 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.899 11.407 3.299 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.539 9.861 6.334 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.857 10.644 5.430 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.594 11.634 6.198 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.416 13.439 -0.120 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.713 14.335 -1.255 1.00 0.00 C ATOM 1229 C HIS A 77 -1.017 15.771 -0.757 1.00 0.00 C ATOM 1230 O HIS A 77 -0.717 16.747 -1.452 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.871 13.766 -2.126 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.447 12.763 -3.186 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.256 13.113 -4.504 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.229 11.426 -3.134 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.962 12.043 -5.209 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.936 11.008 -4.399 1.00 0.00 N ATOM 0 H HIS A 77 -1.111 12.706 0.022 1.00 0.00 H new ATOM 0 HA HIS A 77 0.171 14.390 -1.890 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.599 13.291 -1.469 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.378 14.597 -2.616 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.278 10.805 -2.252 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.774 12.019 -6.272 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.730 10.047 -4.672 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.591 15.877 0.460 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.834 17.163 1.146 1.00 0.00 C ATOM 1247 C GLU A 78 -0.498 17.767 1.629 1.00 0.00 C ATOM 1248 O GLU A 78 -0.337 18.990 1.656 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.791 16.953 2.347 1.00 0.00 C ATOM 1250 CG GLU A 78 -4.167 16.356 1.985 1.00 0.00 C ATOM 1251 CD GLU A 78 -5.078 17.320 1.212 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.718 18.189 1.846 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -5.174 17.206 -0.029 1.00 0.00 O ATOM 0 H GLU A 78 -1.901 15.067 0.997 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.299 17.855 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.305 16.297 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.946 17.912 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.016 15.456 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.672 16.050 2.901 1.00 0.00 H new ATOM 1260 N LEU A 79 0.451 16.880 2.017 1.00 0.00 N ATOM 1261 CA LEU A 79 1.818 17.279 2.432 1.00 0.00 C ATOM 1262 C LEU A 79 2.644 17.763 1.229 1.00 0.00 C ATOM 1263 O LEU A 79 3.570 18.556 1.387 1.00 0.00 O ATOM 1264 CB LEU A 79 2.562 16.097 3.112 1.00 0.00 C ATOM 1265 CG LEU A 79 1.898 15.519 4.390 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.637 14.268 4.904 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.770 16.590 5.493 1.00 0.00 C ATOM 0 H LEU A 79 0.291 15.873 2.051 1.00 0.00 H new ATOM 0 HA LEU A 79 1.710 18.096 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.665 15.292 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.569 16.427 3.367 1.00 0.00 H new ATOM 0 HG LEU A 79 0.890 15.207 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.141 13.894 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.625 13.496 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.669 14.527 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.301 16.151 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.760 16.961 5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.158 17.415 5.129 1.00 0.00 H new ATOM 1279 N GLY A 80 2.303 17.266 0.027 1.00 0.00 N ATOM 1280 CA GLY A 80 2.995 17.643 -1.210 1.00 0.00 C ATOM 1281 C GLY A 80 3.670 16.469 -1.907 1.00 0.00 C ATOM 1282 O GLY A 80 4.141 16.622 -3.038 1.00 0.00 O ATOM 0 H GLY A 80 1.545 16.597 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.279 18.099 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.745 18.401 -0.982 1.00 0.00 H new ATOM 1286 N TYR A 81 3.732 15.300 -1.227 1.00 0.00 N ATOM 1287 CA TYR A 81 4.203 14.040 -1.853 1.00 0.00 C ATOM 1288 C TYR A 81 3.143 13.549 -2.857 1.00 0.00 C ATOM 1289 O TYR A 81 2.001 14.025 -2.845 1.00 0.00 O ATOM 1290 CB TYR A 81 4.443 12.930 -0.795 1.00 0.00 C ATOM 1291 CG TYR A 81 5.408 13.299 0.340 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.793 13.247 0.163 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.929 13.683 1.592 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.660 13.563 1.197 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.792 14.000 2.625 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.156 13.939 2.425 1.00 0.00 C ATOM 1297 OH TYR A 81 8.024 14.258 3.453 1.00 0.00 O ATOM 0 H TYR A 81 3.463 15.202 -0.248 1.00 0.00 H new ATOM 0 HA TYR A 81 5.149 14.245 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.483 12.655 -0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.827 12.045 -1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.195 12.956 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.863 13.734 1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.728 13.515 1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.399 14.295 3.587 1.00 0.00 H new ATOM 0 HH TYR A 81 7.510 14.503 4.251 1.00 0.00 H new ATOM 1307 N THR A 82 3.494 12.568 -3.696 1.00 0.00 N ATOM 1308 CA THR A 82 2.554 11.981 -4.669 1.00 0.00 C ATOM 1309 C THR A 82 2.711 10.432 -4.738 1.00 0.00 C ATOM 1310 O THR A 82 3.132 9.892 -5.765 1.00 0.00 O ATOM 1311 CB THR A 82 2.717 12.640 -6.098 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.105 12.700 -6.453 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.107 14.058 -6.178 1.00 0.00 C ATOM 0 H THR A 82 4.428 12.159 -3.724 1.00 0.00 H new ATOM 0 HA THR A 82 1.543 12.197 -4.323 1.00 0.00 H new ATOM 0 HB THR A 82 2.171 12.010 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.199 13.107 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.249 14.459 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.041 14.009 -5.954 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.600 14.707 -5.455 1.00 0.00 H new ATOM 1321 N PRO A 83 2.403 9.684 -3.618 1.00 0.00 N ATOM 1322 CA PRO A 83 2.349 8.200 -3.652 1.00 0.00 C ATOM 1323 C PRO A 83 1.054 7.674 -4.323 1.00 0.00 C ATOM 1324 O PRO A 83 -0.001 8.314 -4.251 1.00 0.00 O ATOM 1325 CB PRO A 83 2.391 7.817 -2.152 1.00 0.00 C ATOM 1326 CG PRO A 83 1.730 8.968 -1.456 1.00 0.00 C ATOM 1327 CD PRO A 83 2.148 10.197 -2.234 1.00 0.00 C ATOM 0 HA PRO A 83 3.159 7.767 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.862 6.883 -1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.415 7.678 -1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.646 8.855 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.048 9.034 -0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.367 10.957 -2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.041 10.654 -1.808 1.00 0.00 H new ATOM 1335 N TYR A 84 1.159 6.507 -4.972 1.00 0.00 N ATOM 1336 CA TYR A 84 0.002 5.775 -5.530 1.00 0.00 C ATOM 1337 C TYR A 84 -0.677 4.967 -4.415 1.00 0.00 C ATOM 1338 O TYR A 84 -0.150 4.882 -3.295 1.00 0.00 O ATOM 1339 CB TYR A 84 0.458 4.821 -6.667 1.00 0.00 C ATOM 1340 CG TYR A 84 1.145 5.520 -7.853 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.519 5.799 -7.834 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.425 5.897 -8.988 1.00 0.00 C ATOM 1343 CE1 TYR A 84 3.137 6.429 -8.900 1.00 0.00 C ATOM 1344 CE2 TYR A 84 1.042 6.525 -10.054 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.395 6.786 -10.005 1.00 0.00 C ATOM 1346 OH TYR A 84 3.008 7.409 -11.070 1.00 0.00 O ATOM 0 H TYR A 84 2.051 6.037 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.705 6.494 -5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.143 4.083 -6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.411 4.277 -7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.106 5.517 -6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.635 5.694 -9.034 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.196 6.640 -8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.466 6.810 -10.922 1.00 0.00 H new ATOM 0 HH TYR A 84 2.345 7.592 -11.768 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.833 4.361 -4.726 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.547 3.515 -3.766 1.00 0.00 C ATOM 1358 C TYR A 85 -3.384 2.453 -4.494 1.00 0.00 C ATOM 1359 O TYR A 85 -3.909 2.696 -5.589 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.403 4.369 -2.795 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.544 5.173 -3.435 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.315 6.435 -3.979 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.851 4.676 -3.477 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.337 7.161 -4.536 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.875 5.408 -4.036 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.613 6.650 -4.564 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.635 7.390 -5.121 1.00 0.00 O ATOM 0 H TYR A 85 -2.290 4.443 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.811 2.988 -3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.829 3.708 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.743 5.063 -2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.317 6.848 -3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.061 3.701 -3.064 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.139 8.137 -4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.878 5.009 -4.059 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.473 6.886 -5.062 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.478 1.271 -3.869 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.116 0.085 -4.433 1.00 0.00 C ATOM 1379 C LEU A 86 -5.408 -0.205 -3.668 1.00 0.00 C ATOM 1380 O LEU A 86 -5.388 -0.514 -2.448 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.123 -1.122 -4.376 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.537 -2.477 -5.066 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.494 -3.342 -4.214 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.109 -2.242 -6.471 1.00 0.00 C ATOM 0 H LEU A 86 -3.101 1.115 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.373 0.254 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.183 -0.798 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.921 -1.334 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.615 -3.051 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.735 -4.258 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.013 -3.594 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.410 -2.785 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.384 -3.198 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.992 -1.606 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.358 -1.754 -7.093 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.514 -0.101 -4.412 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.842 -0.507 -3.976 1.00 0.00 C ATOM 1398 C GLU A 87 -8.125 -1.911 -4.545 1.00 0.00 C ATOM 1399 O GLU A 87 -8.484 -2.061 -5.722 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.898 0.528 -4.450 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.626 1.969 -3.970 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.684 2.975 -4.446 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.714 3.139 -3.759 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.504 3.578 -5.528 1.00 0.00 O ATOM 0 H GLU A 87 -6.503 0.279 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.896 -0.546 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.936 0.520 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.881 0.217 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.587 1.981 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.646 2.285 -4.328 1.00 0.00 H new ATOM 1411 N GLY A 88 -7.875 -2.926 -3.711 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.100 -4.325 -4.057 1.00 0.00 C ATOM 1413 C GLY A 88 -7.986 -5.213 -2.828 1.00 0.00 C ATOM 1414 O GLY A 88 -7.282 -4.863 -1.871 1.00 0.00 O ATOM 0 H GLY A 88 -7.507 -2.793 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.088 -4.439 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.374 -4.640 -4.807 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.657 -6.373 -2.870 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.749 -7.299 -1.725 1.00 0.00 C ATOM 1420 C ASN A 89 -7.394 -7.977 -1.446 1.00 0.00 C ATOM 1421 O ASN A 89 -6.820 -8.603 -2.339 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.831 -8.360 -1.984 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.223 -7.755 -2.132 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.638 -7.376 -3.230 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.957 -7.658 -1.031 1.00 0.00 N ATOM 0 H ASN A 89 -9.153 -6.699 -3.699 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.024 -6.719 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.582 -8.914 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.836 -9.077 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.895 -7.260 -1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.583 -7.981 -0.139 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.910 -7.851 -0.190 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.560 -8.307 0.220 1.00 0.00 C ATOM 1434 C VAL A 90 -5.381 -9.832 0.062 1.00 0.00 C ATOM 1435 O VAL A 90 -4.317 -10.298 -0.341 1.00 0.00 O ATOM 1436 CB VAL A 90 -5.212 -7.843 1.692 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -6.141 -8.488 2.744 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.723 -8.079 2.042 1.00 0.00 C ATOM 0 H VAL A 90 -7.444 -7.430 0.570 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.853 -7.830 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.387 -6.768 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.863 -8.139 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.174 -8.209 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.043 -9.573 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.532 -7.745 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.494 -9.141 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.094 -7.517 1.352 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.454 -10.588 0.326 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.443 -12.067 0.267 1.00 0.00 C ATOM 1450 C TYR A 91 -6.425 -12.552 -1.200 1.00 0.00 C ATOM 1451 O TYR A 91 -5.969 -13.664 -1.503 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.684 -12.637 1.008 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.901 -12.036 2.410 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.161 -12.472 3.514 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.828 -11.007 2.618 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.348 -11.910 4.767 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -9.010 -10.446 3.864 1.00 0.00 C ATOM 1458 CZ TYR A 91 -8.272 -10.900 4.932 1.00 0.00 C ATOM 1459 OH TYR A 91 -8.464 -10.336 6.172 1.00 0.00 O ATOM 0 H TYR A 91 -7.359 -10.197 0.588 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.540 -12.429 0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.572 -12.455 0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.577 -13.718 1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.432 -13.259 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.412 -10.645 1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.772 -12.262 5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.730 -9.653 4.001 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.150 -9.639 6.112 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.919 -11.682 -2.096 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.087 -11.968 -3.526 1.00 0.00 C ATOM 1471 C ASP A 92 -5.816 -11.690 -4.347 1.00 0.00 C ATOM 1472 O ASP A 92 -5.781 -12.024 -5.530 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.284 -11.150 -4.094 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.659 -11.657 -3.616 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -9.921 -11.651 -2.393 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.493 -12.047 -4.460 1.00 0.00 O ATOM 0 H ASP A 92 -7.218 -10.741 -1.839 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.291 -13.035 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.170 -10.106 -3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.252 -11.183 -5.183 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.772 -11.101 -3.737 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.482 -10.851 -4.438 1.00 0.00 C ATOM 1483 C PHE A 93 -2.893 -12.179 -4.961 1.00 0.00 C ATOM 1484 O PHE A 93 -2.476 -12.278 -6.123 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.462 -10.149 -3.503 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.884 -8.779 -2.961 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -3.901 -8.035 -3.552 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.234 -8.227 -1.873 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.256 -6.793 -3.072 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.590 -6.990 -1.392 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.598 -6.266 -1.989 1.00 0.00 C ATOM 0 H PHE A 93 -4.787 -10.788 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.680 -10.190 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.261 -10.807 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.524 -10.031 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.424 -8.440 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.436 -8.775 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.050 -6.236 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.074 -6.581 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.868 -5.292 -1.608 1.00 0.00 H new ATOM 1501 N GLU A 94 -2.930 -13.187 -4.073 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.500 -14.572 -4.342 1.00 0.00 C ATOM 1503 C GLU A 94 -3.165 -15.153 -5.613 1.00 0.00 C ATOM 1504 O GLU A 94 -2.477 -15.660 -6.506 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.820 -15.435 -3.084 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.863 -15.210 -1.884 1.00 0.00 C ATOM 1507 CD GLU A 94 -0.654 -16.164 -1.872 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -0.795 -17.312 -1.381 1.00 0.00 O ATOM 1509 OE2 GLU A 94 0.434 -15.786 -2.344 1.00 0.00 O ATOM 0 H GLU A 94 -3.270 -13.058 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.428 -14.584 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.840 -15.221 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.788 -16.488 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.503 -14.181 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.422 -15.333 -0.956 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.502 -15.029 -5.706 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.282 -15.590 -6.838 1.00 0.00 C ATOM 1518 C LYS A 95 -5.235 -14.691 -8.102 1.00 0.00 C ATOM 1519 O LYS A 95 -5.540 -15.162 -9.204 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.745 -15.893 -6.403 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.524 -14.679 -5.867 1.00 0.00 C ATOM 1522 CD LYS A 95 -8.960 -15.017 -5.404 1.00 0.00 C ATOM 1523 CE LYS A 95 -9.007 -16.008 -4.232 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.397 -16.291 -3.784 1.00 0.00 N ATOM 0 H LYS A 95 -5.071 -14.545 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.808 -16.530 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.285 -16.305 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.728 -16.665 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.975 -14.246 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.572 -13.917 -6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.465 -14.097 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.516 -15.433 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.527 -16.940 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.434 -15.606 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.376 -16.965 -2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.849 -15.407 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.939 -16.700 -4.572 1.00 0.00 H new ATOM 1538 N TYR A 96 -4.843 -13.410 -7.941 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.620 -12.473 -9.081 1.00 0.00 C ATOM 1540 C TYR A 96 -3.173 -12.561 -9.608 1.00 0.00 C ATOM 1541 O TYR A 96 -2.826 -11.884 -10.582 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.985 -11.010 -8.687 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.488 -10.665 -8.814 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.435 -11.208 -7.942 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.956 -9.780 -9.797 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.776 -10.888 -8.038 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.299 -9.461 -9.896 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.203 -10.015 -9.012 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.542 -9.696 -9.108 1.00 0.00 O ATOM 0 H TYR A 96 -4.671 -12.991 -7.027 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.284 -12.777 -9.890 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.671 -10.836 -7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.414 -10.325 -9.314 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.111 -11.895 -7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.255 -9.339 -10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.487 -11.322 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.639 -8.781 -10.663 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.676 -9.066 -9.847 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.331 -13.373 -8.946 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.002 -13.720 -9.471 1.00 0.00 C ATOM 1561 C GLY A 97 0.120 -12.941 -8.821 1.00 0.00 C ATOM 1562 O GLY A 97 1.078 -12.537 -9.491 1.00 0.00 O ATOM 0 H GLY A 97 -2.549 -13.801 -8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.828 -14.786 -9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.985 -13.540 -10.546 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.006 -12.712 -7.509 1.00 0.00 N ATOM 1567 CA PHE A 98 0.998 -12.005 -6.700 1.00 0.00 C ATOM 1568 C PHE A 98 1.240 -12.803 -5.426 1.00 0.00 C ATOM 1569 O PHE A 98 0.307 -13.020 -4.651 1.00 0.00 O ATOM 1570 CB PHE A 98 0.520 -10.574 -6.349 1.00 0.00 C ATOM 1571 CG PHE A 98 0.221 -9.724 -7.578 1.00 0.00 C ATOM 1572 CD1 PHE A 98 1.260 -9.168 -8.325 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.092 -9.492 -7.989 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.994 -8.401 -9.439 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -1.355 -8.726 -9.103 1.00 0.00 C ATOM 1576 CZ PHE A 98 -0.312 -8.181 -9.828 1.00 0.00 C ATOM 0 H PHE A 98 -0.818 -13.016 -6.971 1.00 0.00 H new ATOM 0 HA PHE A 98 1.923 -11.915 -7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.377 -10.638 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.284 -10.079 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.284 -9.340 -8.027 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.911 -9.918 -7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.807 -7.973 -10.007 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.376 -8.551 -9.410 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.520 -7.581 -10.702 1.00 0.00 H new ATOM 1586 N ARG A 99 2.490 -13.249 -5.232 1.00 0.00 N ATOM 1587 CA ARG A 99 2.878 -14.022 -4.043 1.00 0.00 C ATOM 1588 C ARG A 99 2.717 -13.161 -2.767 1.00 0.00 C ATOM 1589 O ARG A 99 2.797 -11.922 -2.814 1.00 0.00 O ATOM 1590 CB ARG A 99 4.337 -14.579 -4.186 1.00 0.00 C ATOM 1591 CG ARG A 99 5.476 -13.641 -3.726 1.00 0.00 C ATOM 1592 CD ARG A 99 5.474 -12.268 -4.417 1.00 0.00 C ATOM 1593 NE ARG A 99 5.883 -12.324 -5.826 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.586 -11.381 -6.467 1.00 0.00 C ATOM 1595 NH1 ARG A 99 7.061 -10.324 -5.824 1.00 0.00 N ATOM 1596 NH2 ARG A 99 6.836 -11.522 -7.752 1.00 0.00 N ATOM 0 H ARG A 99 3.254 -13.086 -5.888 1.00 0.00 H new ATOM 0 HA ARG A 99 2.213 -14.881 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.407 -15.506 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.505 -14.834 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.399 -13.494 -2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.432 -14.129 -3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.474 -11.839 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.143 -11.597 -3.878 1.00 0.00 H new ATOM 0 HE ARG A 99 5.609 -13.149 -6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.893 -10.218 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.594 -9.617 -6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.495 -12.344 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.370 -10.809 -8.249 1.00 0.00 H new ATOM 1610 N MET A 100 2.491 -13.825 -1.648 1.00 0.00 N ATOM 1611 CA MET A 100 2.271 -13.186 -0.343 1.00 0.00 C ATOM 1612 C MET A 100 2.900 -14.055 0.742 1.00 0.00 C ATOM 1613 O MET A 100 3.173 -15.245 0.524 1.00 0.00 O ATOM 1614 CB MET A 100 0.757 -12.979 -0.044 1.00 0.00 C ATOM 1615 CG MET A 100 -0.002 -12.096 -1.045 1.00 0.00 C ATOM 1616 SD MET A 100 -1.704 -11.782 -0.549 1.00 0.00 S ATOM 1617 CE MET A 100 -1.443 -10.868 0.964 1.00 0.00 C ATOM 0 H MET A 100 2.453 -14.844 -1.610 1.00 0.00 H new ATOM 0 HA MET A 100 2.735 -12.200 -0.360 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.275 -13.956 -0.010 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.658 -12.540 0.949 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.521 -11.146 -1.154 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.004 -12.577 -2.023 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.403 -10.537 1.359 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.951 -11.509 1.696 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.816 -10.000 0.761 1.00 0.00 H new ATOM 1627 N VAL A 101 3.126 -13.463 1.920 1.00 0.00 N ATOM 1628 CA VAL A 101 3.693 -14.178 3.066 1.00 0.00 C ATOM 1629 C VAL A 101 2.618 -14.264 4.158 1.00 0.00 C ATOM 1630 O VAL A 101 2.350 -13.281 4.878 1.00 0.00 O ATOM 1631 CB VAL A 101 5.010 -13.510 3.617 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.703 -14.424 4.655 1.00 0.00 C ATOM 1633 CG2 VAL A 101 5.980 -13.155 2.467 1.00 0.00 C ATOM 0 H VAL A 101 2.922 -12.481 2.104 1.00 0.00 H new ATOM 0 HA VAL A 101 3.987 -15.176 2.741 1.00 0.00 H new ATOM 0 HB VAL A 101 4.727 -12.583 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.609 -13.939 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.027 -14.604 5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.962 -15.374 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.879 -12.696 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.250 -14.062 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.495 -12.457 1.785 1.00 0.00 H new ATOM 1643 N TYR A 102 1.936 -15.418 4.179 1.00 0.00 N ATOM 1644 CA TYR A 102 0.980 -15.787 5.225 1.00 0.00 C ATOM 1645 C TYR A 102 1.753 -16.439 6.384 1.00 0.00 C ATOM 1646 O TYR A 102 2.522 -17.389 6.161 1.00 0.00 O ATOM 1647 CB TYR A 102 -0.112 -16.739 4.650 1.00 0.00 C ATOM 1648 CG TYR A 102 -1.173 -16.047 3.756 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.811 -15.343 2.601 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -2.536 -16.073 4.089 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.759 -14.706 1.823 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -3.481 -15.431 3.310 1.00 0.00 C ATOM 1653 CZ TYR A 102 -3.086 -14.749 2.180 1.00 0.00 C ATOM 1654 OH TYR A 102 -4.024 -14.104 1.403 1.00 0.00 O ATOM 0 H TYR A 102 2.037 -16.131 3.456 1.00 0.00 H new ATOM 0 HA TYR A 102 0.465 -14.901 5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.377 -17.521 4.070 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.621 -17.229 5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.229 -15.297 2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.854 -16.606 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.457 -14.174 0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.525 -15.464 3.586 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.899 -14.150 1.841 1.00 0.00 H new