USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 456 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 48 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -159:sc= 0.598 (180deg=0.104) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0.48 USER MOD Set 2.2: A 32 THR OG1 : rot 92:sc= 0.534 USER MOD Set 3.1: A 16 SER OG : rot 180:sc=-0.000484 USER MOD Set 3.2: A 22 SER OG : rot 140:sc= 0.124 USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 0.284 USER MOD Set 4.2: A 10 SER OG : rot 180:sc= -0.198 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.0384 (180deg=-0.497) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.8!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.762! USER MOD Single : A 19 SER OG : rot 180:sc= 0.0618 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.01! C(o=-1!,f=-1.2!) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= -0.0371 (180deg=-0.46) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.45 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.268 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -0.0521 (180deg=-0.498) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.892 13.833 -6.272 1.00 1.00 N ATOM 2 CA MET A 1 1.893 13.196 -7.621 1.00 1.00 C ATOM 3 C MET A 1 0.542 12.508 -7.862 1.00 1.00 C ATOM 4 O MET A 1 -0.212 12.257 -6.922 1.00 1.00 O ATOM 5 CB MET A 1 3.062 12.186 -7.701 1.00 1.00 C ATOM 6 CG MET A 1 2.965 11.138 -6.571 1.00 1.00 C ATOM 7 SD MET A 1 4.357 9.970 -6.700 1.00 1.00 S ATOM 8 CE MET A 1 5.591 10.857 -5.704 1.00 1.00 C ATOM 0 H1 MET A 1 2.851 13.797 -5.871 1.00 1.00 H new ATOM 0 H2 MET A 1 1.588 14.824 -6.356 1.00 1.00 H new ATOM 0 H3 MET A 1 1.236 13.322 -5.647 1.00 1.00 H new ATOM 0 HA MET A 1 2.033 13.948 -8.397 1.00 1.00 H new ATOM 0 HB2 MET A 1 3.049 11.685 -8.669 1.00 1.00 H new ATOM 0 HB3 MET A 1 4.011 12.717 -7.630 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.981 11.633 -5.600 1.00 1.00 H new ATOM 0 HG3 MET A 1 2.019 10.601 -6.639 1.00 1.00 H new ATOM 0 HE1 MET A 1 6.516 10.281 -5.674 1.00 1.00 H new ATOM 0 HE2 MET A 1 5.785 11.833 -6.150 1.00 1.00 H new ATOM 0 HE3 MET A 1 5.213 10.990 -4.690 1.00 1.00 H new ATOM 20 N LYS A 2 0.252 12.203 -9.124 1.00 1.00 N ATOM 21 CA LYS A 2 -1.016 11.545 -9.490 1.00 1.00 C ATOM 22 C LYS A 2 -1.098 10.148 -8.864 1.00 1.00 C ATOM 23 O LYS A 2 -1.739 9.943 -7.832 1.00 1.00 O ATOM 24 CB LYS A 2 -1.122 11.447 -11.033 1.00 1.00 C ATOM 25 CG LYS A 2 -1.162 12.859 -11.664 1.00 1.00 C ATOM 26 CD LYS A 2 -1.264 12.750 -13.203 1.00 1.00 C ATOM 27 CE LYS A 2 -1.306 14.150 -13.841 1.00 1.00 C ATOM 28 NZ LYS A 2 -1.403 14.009 -15.323 1.00 1.00 N ATOM 0 H LYS A 2 0.869 12.396 -9.913 1.00 1.00 H new ATOM 0 HA LYS A 2 -1.846 12.139 -9.108 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -0.272 10.890 -11.427 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -2.020 10.894 -11.307 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -2.014 13.416 -11.274 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -0.265 13.414 -11.390 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -0.412 12.192 -13.591 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -2.160 12.193 -13.475 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -2.159 14.711 -13.460 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -0.411 14.712 -13.575 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -1.432 14.952 -15.760 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -0.575 13.488 -15.677 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -2.270 13.488 -15.566 1.00 1.00 H new ATOM 42 N THR A 3 -0.424 9.196 -9.498 1.00 1.00 N ATOM 43 CA THR A 3 -0.412 7.788 -9.015 1.00 1.00 C ATOM 44 C THR A 3 0.996 7.204 -9.115 1.00 1.00 C ATOM 45 O THR A 3 1.778 7.599 -9.979 1.00 1.00 O ATOM 46 CB THR A 3 -1.371 6.925 -9.877 1.00 1.00 C ATOM 47 OG1 THR A 3 -0.785 6.707 -11.155 1.00 1.00 O ATOM 48 CG2 THR A 3 -2.724 7.639 -10.075 1.00 1.00 C ATOM 0 H THR A 3 0.123 9.355 -10.344 1.00 1.00 H new ATOM 0 HA THR A 3 -0.737 7.780 -7.975 1.00 1.00 H new ATOM 0 HB THR A 3 -1.538 5.979 -9.362 1.00 1.00 H new ATOM 0 HG1 THR A 3 -1.387 6.161 -11.702 1.00 1.00 H new ATOM 0 HG21 THR A 3 -3.379 7.015 -10.682 1.00 1.00 H new ATOM 0 HG22 THR A 3 -3.188 7.815 -9.104 1.00 1.00 H new ATOM 0 HG23 THR A 3 -2.562 8.592 -10.578 1.00 1.00 H new ATOM 56 N GLY A 4 1.305 6.256 -8.236 1.00 1.00 N ATOM 57 CA GLY A 4 2.622 5.594 -8.210 1.00 1.00 C ATOM 58 C GLY A 4 2.573 4.268 -8.968 1.00 1.00 C ATOM 59 O GLY A 4 1.575 3.550 -8.915 1.00 1.00 O ATOM 0 H GLY A 4 0.659 5.920 -7.522 1.00 1.00 H new ATOM 0 HA2 GLY A 4 3.372 6.247 -8.657 1.00 1.00 H new ATOM 0 HA3 GLY A 4 2.926 5.418 -7.178 1.00 1.00 H new ATOM 63 N ILE A 5 3.655 3.953 -9.673 1.00 1.00 N ATOM 64 CA ILE A 5 3.755 2.705 -10.467 1.00 1.00 C ATOM 65 C ILE A 5 4.746 1.739 -9.802 1.00 1.00 C ATOM 66 O ILE A 5 5.783 2.148 -9.280 1.00 1.00 O ATOM 67 CB ILE A 5 4.235 3.039 -11.913 1.00 1.00 C ATOM 68 CG1 ILE A 5 3.241 4.057 -12.561 1.00 1.00 C ATOM 69 CG2 ILE A 5 4.300 1.741 -12.777 1.00 1.00 C ATOM 70 CD1 ILE A 5 3.758 4.548 -13.927 1.00 1.00 C ATOM 0 H ILE A 5 4.487 4.541 -9.719 1.00 1.00 H new ATOM 0 HA ILE A 5 2.774 2.232 -10.513 1.00 1.00 H new ATOM 0 HB ILE A 5 5.233 3.476 -11.868 1.00 1.00 H new ATOM 0 HG12 ILE A 5 2.265 3.587 -12.686 1.00 1.00 H new ATOM 0 HG13 ILE A 5 3.102 4.908 -11.894 1.00 1.00 H new ATOM 0 HG21 ILE A 5 4.637 1.990 -13.783 1.00 1.00 H new ATOM 0 HG22 ILE A 5 4.999 1.037 -12.325 1.00 1.00 H new ATOM 0 HG23 ILE A 5 3.310 1.288 -12.827 1.00 1.00 H new ATOM 0 HD11 ILE A 5 3.046 5.255 -14.353 1.00 1.00 H new ATOM 0 HD12 ILE A 5 4.722 5.039 -13.796 1.00 1.00 H new ATOM 0 HD13 ILE A 5 3.872 3.698 -14.600 1.00 1.00 H new ATOM 82 N VAL A 6 4.411 0.454 -9.837 1.00 1.00 N ATOM 83 CA VAL A 6 5.278 -0.615 -9.277 1.00 1.00 C ATOM 84 C VAL A 6 5.743 -1.560 -10.375 1.00 1.00 C ATOM 85 O VAL A 6 4.882 -2.263 -10.904 1.00 1.00 O ATOM 86 CB VAL A 6 4.521 -1.453 -8.195 1.00 1.00 C ATOM 87 CG1 VAL A 6 5.541 -2.222 -7.299 1.00 1.00 C ATOM 88 CG2 VAL A 6 3.665 -0.534 -7.312 1.00 1.00 C ATOM 0 H VAL A 6 3.542 0.110 -10.247 1.00 1.00 H new ATOM 0 HA VAL A 6 6.136 -0.122 -8.819 1.00 1.00 H new ATOM 0 HB VAL A 6 3.875 -2.168 -8.705 1.00 1.00 H new ATOM 0 HG11 VAL A 6 5.002 -2.802 -6.550 1.00 1.00 H new ATOM 0 HG12 VAL A 6 6.136 -2.893 -7.919 1.00 1.00 H new ATOM 0 HG13 VAL A 6 6.199 -1.509 -6.802 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.144 -1.131 -6.563 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.307 0.193 -6.814 1.00 1.00 H new ATOM 0 HG23 VAL A 6 2.936 -0.011 -7.931 1.00 1.00 H new ATOM 98 N ASN A 7 7.035 -1.649 -10.675 1.00 1.00 N ATOM 99 CA ASN A 7 7.538 -2.576 -11.684 1.00 1.00 C ATOM 100 C ASN A 7 7.699 -3.966 -11.052 1.00 1.00 C ATOM 101 O ASN A 7 8.041 -4.083 -9.875 1.00 1.00 O ATOM 102 CB ASN A 7 8.900 -2.061 -12.194 1.00 1.00 C ATOM 103 CG ASN A 7 8.729 -0.693 -12.862 1.00 1.00 C ATOM 104 OD1 ASN A 7 7.913 -0.547 -13.773 1.00 1.00 O ATOM 105 ND2 ASN A 7 9.445 0.325 -12.460 1.00 1.00 N ATOM 0 H ASN A 7 7.759 -1.085 -10.229 1.00 1.00 H new ATOM 0 HA ASN A 7 6.842 -2.645 -12.520 1.00 1.00 H new ATOM 0 HB2 ASN A 7 9.602 -1.984 -11.364 1.00 1.00 H new ATOM 0 HB3 ASN A 7 9.323 -2.771 -12.905 1.00 1.00 H new ATOM 0 HD21 ASN A 7 9.327 1.237 -12.901 1.00 1.00 H new ATOM 0 HD22 ASN A 7 10.121 0.207 -11.706 1.00 1.00 H new ATOM 112 N VAL A 8 7.466 -5.004 -11.846 1.00 1.00 N ATOM 113 CA VAL A 8 7.597 -6.400 -11.379 1.00 1.00 C ATOM 114 C VAL A 8 8.952 -6.626 -10.673 1.00 1.00 C ATOM 115 O VAL A 8 9.975 -6.103 -11.114 1.00 1.00 O ATOM 116 CB VAL A 8 7.413 -7.360 -12.589 1.00 1.00 C ATOM 117 CG1 VAL A 8 8.523 -7.146 -13.642 1.00 1.00 C ATOM 118 CG2 VAL A 8 7.406 -8.836 -12.120 1.00 1.00 C ATOM 0 H VAL A 8 7.184 -4.916 -12.822 1.00 1.00 H new ATOM 0 HA VAL A 8 6.821 -6.610 -10.642 1.00 1.00 H new ATOM 0 HB VAL A 8 6.452 -7.132 -13.050 1.00 1.00 H new ATOM 0 HG11 VAL A 8 8.370 -7.830 -14.477 1.00 1.00 H new ATOM 0 HG12 VAL A 8 8.488 -6.118 -14.004 1.00 1.00 H new ATOM 0 HG13 VAL A 8 9.496 -7.338 -13.189 1.00 1.00 H new ATOM 0 HG21 VAL A 8 7.276 -9.491 -12.982 1.00 1.00 H new ATOM 0 HG22 VAL A 8 8.351 -9.066 -11.628 1.00 1.00 H new ATOM 0 HG23 VAL A 8 6.586 -8.991 -11.419 1.00 1.00 H new ATOM 128 N SER A 9 8.937 -7.372 -9.574 1.00 1.00 N ATOM 129 CA SER A 9 10.167 -7.644 -8.805 1.00 1.00 C ATOM 130 C SER A 9 9.934 -8.747 -7.757 1.00 1.00 C ATOM 131 O SER A 9 10.308 -9.901 -7.962 1.00 1.00 O ATOM 132 CB SER A 9 10.634 -6.354 -8.106 1.00 1.00 C ATOM 133 OG SER A 9 9.606 -5.902 -7.234 1.00 1.00 O ATOM 0 H SER A 9 8.096 -7.802 -9.189 1.00 1.00 H new ATOM 0 HA SER A 9 10.935 -7.988 -9.497 1.00 1.00 H new ATOM 0 HB2 SER A 9 11.549 -6.540 -7.544 1.00 1.00 H new ATOM 0 HB3 SER A 9 10.864 -5.587 -8.846 1.00 1.00 H new ATOM 0 HG SER A 9 9.896 -5.082 -6.784 1.00 1.00 H new ATOM 139 N SER A 10 9.315 -8.372 -6.642 1.00 1.00 N ATOM 140 CA SER A 10 9.033 -9.311 -5.527 1.00 1.00 C ATOM 141 C SER A 10 7.566 -9.195 -5.083 1.00 1.00 C ATOM 142 O SER A 10 6.664 -9.181 -5.922 1.00 1.00 O ATOM 143 CB SER A 10 9.985 -8.983 -4.355 1.00 1.00 C ATOM 144 OG SER A 10 9.661 -7.700 -3.835 1.00 1.00 O ATOM 0 H SER A 10 8.991 -7.420 -6.472 1.00 1.00 H new ATOM 0 HA SER A 10 9.198 -10.337 -5.857 1.00 1.00 H new ATOM 0 HB2 SER A 10 9.894 -9.739 -3.575 1.00 1.00 H new ATOM 0 HB3 SER A 10 11.020 -9.000 -4.696 1.00 1.00 H new ATOM 0 HG SER A 10 10.261 -7.488 -3.090 1.00 1.00 H new ATOM 150 N SER A 11 7.340 -9.121 -3.775 1.00 1.00 N ATOM 151 CA SER A 11 5.978 -9.011 -3.213 1.00 1.00 C ATOM 152 C SER A 11 5.962 -8.010 -2.057 1.00 1.00 C ATOM 153 O SER A 11 6.972 -7.787 -1.390 1.00 1.00 O ATOM 154 CB SER A 11 5.518 -10.385 -2.701 1.00 1.00 C ATOM 155 OG SER A 11 6.350 -10.782 -1.619 1.00 1.00 O ATOM 0 H SER A 11 8.080 -9.135 -3.073 1.00 1.00 H new ATOM 0 HA SER A 11 5.303 -8.664 -3.995 1.00 1.00 H new ATOM 0 HB2 SER A 11 4.478 -10.337 -2.377 1.00 1.00 H new ATOM 0 HB3 SER A 11 5.568 -11.121 -3.503 1.00 1.00 H new ATOM 0 HG SER A 11 6.060 -11.657 -1.287 1.00 1.00 H new ATOM 161 N LEU A 12 4.795 -7.416 -1.826 1.00 1.00 N ATOM 162 CA LEU A 12 4.638 -6.421 -0.728 1.00 1.00 C ATOM 163 C LEU A 12 3.272 -6.625 -0.030 1.00 1.00 C ATOM 164 O LEU A 12 2.220 -6.677 -0.668 1.00 1.00 O ATOM 165 CB LEU A 12 4.795 -4.962 -1.303 1.00 1.00 C ATOM 166 CG LEU A 12 5.550 -3.973 -0.338 1.00 1.00 C ATOM 167 CD1 LEU A 12 4.830 -3.860 1.026 1.00 1.00 C ATOM 168 CD2 LEU A 12 7.051 -4.379 -0.126 1.00 1.00 C ATOM 0 H LEU A 12 3.947 -7.591 -2.365 1.00 1.00 H new ATOM 0 HA LEU A 12 5.417 -6.566 0.020 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.333 -5.011 -2.250 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.806 -4.559 -1.519 1.00 1.00 H new ATOM 0 HG LEU A 12 5.536 -2.997 -0.823 1.00 1.00 H new ATOM 0 HD11 LEU A 12 5.376 -3.170 1.670 1.00 1.00 H new ATOM 0 HD12 LEU A 12 3.817 -3.489 0.873 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.789 -4.841 1.498 1.00 1.00 H new ATOM 0 HD21 LEU A 12 7.529 -3.667 0.547 1.00 1.00 H new ATOM 0 HD22 LEU A 12 7.100 -5.378 0.308 1.00 1.00 H new ATOM 0 HD23 LEU A 12 7.568 -4.375 -1.086 1.00 1.00 H new ATOM 180 N ASN A 13 3.322 -6.741 1.294 1.00 1.00 N ATOM 181 CA ASN A 13 2.113 -6.943 2.111 1.00 1.00 C ATOM 182 C ASN A 13 1.573 -5.591 2.595 1.00 1.00 C ATOM 183 O ASN A 13 2.350 -4.694 2.923 1.00 1.00 O ATOM 184 CB ASN A 13 2.472 -7.836 3.329 1.00 1.00 C ATOM 185 CG ASN A 13 3.690 -7.265 4.060 1.00 1.00 C ATOM 186 OD1 ASN A 13 3.677 -6.110 4.485 1.00 1.00 O ATOM 187 ND2 ASN A 13 4.750 -8.010 4.234 1.00 1.00 N ATOM 0 H ASN A 13 4.187 -6.699 1.833 1.00 1.00 H new ATOM 0 HA ASN A 13 1.344 -7.430 1.512 1.00 1.00 H new ATOM 0 HB2 ASN A 13 1.623 -7.893 4.010 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.682 -8.852 2.995 1.00 1.00 H new ATOM 0 HD21 ASN A 13 5.563 -7.634 4.721 1.00 1.00 H new ATOM 0 HD22 ASN A 13 4.764 -8.968 3.883 1.00 1.00 H new ATOM 194 N VAL A 14 0.252 -5.468 2.668 1.00 1.00 N ATOM 195 CA VAL A 14 -0.403 -4.227 3.135 1.00 1.00 C ATOM 196 C VAL A 14 -0.770 -4.386 4.613 1.00 1.00 C ATOM 197 O VAL A 14 -1.406 -5.356 5.024 1.00 1.00 O ATOM 198 CB VAL A 14 -1.672 -3.938 2.276 1.00 1.00 C ATOM 199 CG1 VAL A 14 -2.405 -2.663 2.778 1.00 1.00 C ATOM 200 CG2 VAL A 14 -1.255 -3.728 0.797 1.00 1.00 C ATOM 0 H VAL A 14 -0.399 -6.210 2.411 1.00 1.00 H new ATOM 0 HA VAL A 14 0.277 -3.383 3.025 1.00 1.00 H new ATOM 0 HB VAL A 14 -2.347 -4.789 2.364 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -3.286 -2.484 2.162 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -2.709 -2.803 3.815 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -1.734 -1.807 2.709 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.141 -3.526 0.194 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.569 -2.884 0.729 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.762 -4.627 0.427 1.00 1.00 H new ATOM 210 N ARG A 15 -0.355 -3.404 5.408 1.00 1.00 N ATOM 211 CA ARG A 15 -0.620 -3.406 6.857 1.00 1.00 C ATOM 212 C ARG A 15 -1.813 -2.508 7.175 1.00 1.00 C ATOM 213 O ARG A 15 -2.546 -2.090 6.278 1.00 1.00 O ATOM 214 CB ARG A 15 0.642 -2.902 7.582 1.00 1.00 C ATOM 215 CG ARG A 15 1.826 -3.852 7.289 1.00 1.00 C ATOM 216 CD ARG A 15 3.107 -3.344 7.972 1.00 1.00 C ATOM 217 NE ARG A 15 4.257 -4.179 7.598 1.00 1.00 N ATOM 218 CZ ARG A 15 4.429 -5.421 8.068 1.00 1.00 C ATOM 219 NH1 ARG A 15 3.543 -5.961 8.864 1.00 1.00 N ATOM 220 NH2 ARG A 15 5.491 -6.094 7.724 1.00 1.00 N ATOM 0 H ARG A 15 0.168 -2.592 5.080 1.00 1.00 H new ATOM 0 HA ARG A 15 -0.860 -4.415 7.192 1.00 1.00 H new ATOM 0 HB2 ARG A 15 0.884 -1.892 7.252 1.00 1.00 H new ATOM 0 HB3 ARG A 15 0.461 -2.852 8.656 1.00 1.00 H new ATOM 0 HG2 ARG A 15 1.591 -4.855 7.644 1.00 1.00 H new ATOM 0 HG3 ARG A 15 1.985 -3.924 6.213 1.00 1.00 H new ATOM 0 HD2 ARG A 15 3.293 -2.309 7.685 1.00 1.00 H new ATOM 0 HD3 ARG A 15 2.978 -3.356 9.054 1.00 1.00 H new ATOM 0 HE ARG A 15 4.951 -3.798 6.955 1.00 1.00 H new ATOM 0 HH11 ARG A 15 2.711 -5.435 9.133 1.00 1.00 H new ATOM 0 HH12 ARG A 15 3.684 -6.908 9.216 1.00 1.00 H new ATOM 0 HH21 ARG A 15 6.182 -5.674 7.102 1.00 1.00 H new ATOM 0 HH22 ARG A 15 5.631 -7.041 8.077 1.00 1.00 H new ATOM 234 N SER A 16 -2.003 -2.220 8.458 1.00 1.00 N ATOM 235 CA SER A 16 -3.114 -1.378 8.936 1.00 1.00 C ATOM 236 C SER A 16 -2.599 -0.295 9.885 1.00 1.00 C ATOM 237 O SER A 16 -3.305 0.076 10.823 1.00 1.00 O ATOM 238 CB SER A 16 -4.118 -2.278 9.684 1.00 1.00 C ATOM 239 OG SER A 16 -3.563 -2.664 10.937 1.00 1.00 O ATOM 0 H SER A 16 -1.395 -2.560 9.203 1.00 1.00 H new ATOM 0 HA SER A 16 -3.592 -0.892 8.086 1.00 1.00 H new ATOM 0 HB2 SER A 16 -5.056 -1.745 9.838 1.00 1.00 H new ATOM 0 HB3 SER A 16 -4.347 -3.161 9.087 1.00 1.00 H new ATOM 0 HG SER A 16 -4.200 -3.235 11.415 1.00 1.00 H new ATOM 245 N SER A 17 -1.386 0.197 9.653 1.00 1.00 N ATOM 246 CA SER A 17 -0.788 1.246 10.508 1.00 1.00 C ATOM 247 C SER A 17 0.662 1.545 10.064 1.00 1.00 C ATOM 248 O SER A 17 1.180 0.959 9.113 1.00 1.00 O ATOM 249 CB SER A 17 -0.796 0.808 12.008 1.00 1.00 C ATOM 250 OG SER A 17 0.117 1.591 12.768 1.00 1.00 O ATOM 0 H SER A 17 -0.789 -0.106 8.883 1.00 1.00 H new ATOM 0 HA SER A 17 -1.388 2.149 10.400 1.00 1.00 H new ATOM 0 HB2 SER A 17 -1.801 0.914 12.417 1.00 1.00 H new ATOM 0 HB3 SER A 17 -0.530 -0.246 12.085 1.00 1.00 H new ATOM 0 HG SER A 17 0.095 1.302 13.704 1.00 1.00 H new ATOM 256 N ALA A 18 1.306 2.447 10.798 1.00 1.00 N ATOM 257 CA ALA A 18 2.712 2.839 10.509 1.00 1.00 C ATOM 258 C ALA A 18 3.674 2.056 11.407 1.00 1.00 C ATOM 259 O ALA A 18 4.640 2.592 11.949 1.00 1.00 O ATOM 260 CB ALA A 18 2.876 4.356 10.727 1.00 1.00 C ATOM 0 H ALA A 18 0.893 2.927 11.597 1.00 1.00 H new ATOM 0 HA ALA A 18 2.949 2.603 9.471 1.00 1.00 H new ATOM 0 HB1 ALA A 18 3.906 4.645 10.516 1.00 1.00 H new ATOM 0 HB2 ALA A 18 2.204 4.894 10.059 1.00 1.00 H new ATOM 0 HB3 ALA A 18 2.635 4.603 11.761 1.00 1.00 H new ATOM 266 N SER A 19 3.393 0.763 11.543 1.00 1.00 N ATOM 267 CA SER A 19 4.223 -0.146 12.380 1.00 1.00 C ATOM 268 C SER A 19 4.590 -1.421 11.606 1.00 1.00 C ATOM 269 O SER A 19 3.759 -1.990 10.898 1.00 1.00 O ATOM 270 CB SER A 19 3.428 -0.526 13.637 1.00 1.00 C ATOM 271 OG SER A 19 4.196 -1.422 14.426 1.00 1.00 O ATOM 0 H SER A 19 2.601 0.306 11.091 1.00 1.00 H new ATOM 0 HA SER A 19 5.145 0.368 12.652 1.00 1.00 H new ATOM 0 HB2 SER A 19 3.187 0.368 14.212 1.00 1.00 H new ATOM 0 HB3 SER A 19 2.482 -0.990 13.357 1.00 1.00 H new ATOM 0 HG SER A 19 3.691 -1.665 15.230 1.00 1.00 H new ATOM 277 N THR A 20 5.838 -1.854 11.746 1.00 1.00 N ATOM 278 CA THR A 20 6.340 -3.065 11.069 1.00 1.00 C ATOM 279 C THR A 20 5.795 -4.329 11.750 1.00 1.00 C ATOM 280 O THR A 20 5.980 -5.442 11.256 1.00 1.00 O ATOM 281 CB THR A 20 7.883 -3.081 11.102 1.00 1.00 C ATOM 282 OG1 THR A 20 8.321 -3.114 12.453 1.00 1.00 O ATOM 283 CG2 THR A 20 8.449 -1.823 10.421 1.00 1.00 C ATOM 0 H THR A 20 6.534 -1.385 12.326 1.00 1.00 H new ATOM 0 HA THR A 20 5.999 -3.051 10.034 1.00 1.00 H new ATOM 0 HB THR A 20 8.237 -3.963 10.568 1.00 1.00 H new ATOM 0 HG1 THR A 20 9.301 -3.126 12.479 1.00 1.00 H new ATOM 0 HG21 THR A 20 9.538 -1.851 10.453 1.00 1.00 H new ATOM 0 HG22 THR A 20 8.117 -1.791 9.383 1.00 1.00 H new ATOM 0 HG23 THR A 20 8.093 -0.935 10.943 1.00 1.00 H new ATOM 291 N SER A 21 5.145 -4.145 12.895 1.00 1.00 N ATOM 292 CA SER A 21 4.578 -5.271 13.681 1.00 1.00 C ATOM 293 C SER A 21 3.073 -5.421 13.423 1.00 1.00 C ATOM 294 O SER A 21 2.437 -6.358 13.905 1.00 1.00 O ATOM 295 CB SER A 21 4.819 -4.992 15.173 1.00 1.00 C ATOM 296 OG SER A 21 6.218 -4.924 15.413 1.00 1.00 O ATOM 0 H SER A 21 4.990 -3.228 13.313 1.00 1.00 H new ATOM 0 HA SER A 21 5.065 -6.198 13.380 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.342 -4.056 15.462 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.371 -5.779 15.780 1.00 1.00 H new ATOM 0 HG SER A 21 6.379 -4.744 16.363 1.00 1.00 H new ATOM 302 N SER A 22 2.513 -4.473 12.679 1.00 1.00 N ATOM 303 CA SER A 22 1.072 -4.501 12.373 1.00 1.00 C ATOM 304 C SER A 22 0.725 -5.706 11.475 1.00 1.00 C ATOM 305 O SER A 22 1.411 -5.981 10.489 1.00 1.00 O ATOM 306 CB SER A 22 0.675 -3.193 11.676 1.00 1.00 C ATOM 307 OG SER A 22 -0.630 -3.322 11.123 1.00 1.00 O ATOM 0 H SER A 22 3.019 -3.683 12.278 1.00 1.00 H new ATOM 0 HA SER A 22 0.516 -4.602 13.305 1.00 1.00 H new ATOM 0 HB2 SER A 22 0.699 -2.368 12.388 1.00 1.00 H new ATOM 0 HB3 SER A 22 1.392 -2.956 10.890 1.00 1.00 H new ATOM 0 HG SER A 22 -1.128 -2.489 11.262 1.00 1.00 H new ATOM 313 N LYS A 23 -0.342 -6.413 11.834 1.00 1.00 N ATOM 314 CA LYS A 23 -0.795 -7.593 11.074 1.00 1.00 C ATOM 315 C LYS A 23 -1.138 -7.205 9.623 1.00 1.00 C ATOM 316 O LYS A 23 -1.431 -6.045 9.335 1.00 1.00 O ATOM 317 CB LYS A 23 -2.017 -8.214 11.802 1.00 1.00 C ATOM 318 CG LYS A 23 -2.418 -9.577 11.182 1.00 1.00 C ATOM 319 CD LYS A 23 -3.638 -10.218 11.923 1.00 1.00 C ATOM 320 CE LYS A 23 -3.268 -10.737 13.339 1.00 1.00 C ATOM 321 NZ LYS A 23 -4.380 -11.597 13.847 1.00 1.00 N ATOM 0 H LYS A 23 -0.917 -6.195 12.648 1.00 1.00 H new ATOM 0 HA LYS A 23 0.003 -8.333 11.026 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -1.782 -8.349 12.858 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -2.861 -7.527 11.748 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -2.664 -9.439 10.129 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -1.569 -10.259 11.224 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -4.436 -9.481 12.007 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -4.028 -11.043 11.327 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -2.339 -11.306 13.301 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -3.101 -9.899 14.016 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -4.141 -11.949 14.796 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -5.256 -11.039 13.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -4.518 -12.402 13.203 1.00 1.00 H new ATOM 335 N VAL A 24 -1.071 -8.179 8.722 1.00 1.00 N ATOM 336 CA VAL A 24 -1.368 -7.946 7.288 1.00 1.00 C ATOM 337 C VAL A 24 -2.885 -8.027 7.031 1.00 1.00 C ATOM 338 O VAL A 24 -3.592 -8.831 7.638 1.00 1.00 O ATOM 339 CB VAL A 24 -0.603 -8.992 6.411 1.00 1.00 C ATOM 340 CG1 VAL A 24 -0.953 -10.433 6.849 1.00 1.00 C ATOM 341 CG2 VAL A 24 -0.939 -8.810 4.901 1.00 1.00 C ATOM 0 H VAL A 24 -0.815 -9.141 8.945 1.00 1.00 H new ATOM 0 HA VAL A 24 -1.032 -6.946 7.015 1.00 1.00 H new ATOM 0 HB VAL A 24 0.464 -8.824 6.555 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -0.410 -11.144 6.226 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.671 -10.575 7.892 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -2.025 -10.597 6.738 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -0.394 -9.550 4.315 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -2.010 -8.944 4.748 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -0.649 -7.809 4.582 1.00 1.00 H new ATOM 351 N ILE A 25 -3.361 -7.195 6.112 1.00 1.00 N ATOM 352 CA ILE A 25 -4.801 -7.155 5.731 1.00 1.00 C ATOM 353 C ILE A 25 -4.963 -7.426 4.231 1.00 1.00 C ATOM 354 O ILE A 25 -6.084 -7.614 3.760 1.00 1.00 O ATOM 355 CB ILE A 25 -5.429 -5.773 6.112 1.00 1.00 C ATOM 356 CG1 ILE A 25 -4.658 -4.612 5.413 1.00 1.00 C ATOM 357 CG2 ILE A 25 -5.386 -5.588 7.656 1.00 1.00 C ATOM 358 CD1 ILE A 25 -5.341 -3.255 5.680 1.00 1.00 C ATOM 0 H ILE A 25 -2.780 -6.528 5.604 1.00 1.00 H new ATOM 0 HA ILE A 25 -5.328 -7.935 6.281 1.00 1.00 H new ATOM 0 HB ILE A 25 -6.465 -5.751 5.774 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -3.630 -4.583 5.775 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -4.613 -4.795 4.339 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -5.824 -4.625 7.919 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -5.953 -6.387 8.134 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -4.352 -5.622 7.998 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -4.783 -2.462 5.181 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -6.360 -3.279 5.295 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -5.363 -3.063 6.753 1.00 1.00 H new ATOM 370 N GLY A 26 -3.857 -7.436 3.496 1.00 1.00 N ATOM 371 CA GLY A 26 -3.893 -7.683 2.050 1.00 1.00 C ATOM 372 C GLY A 26 -2.494 -7.624 1.448 1.00 1.00 C ATOM 373 O GLY A 26 -1.495 -7.526 2.161 1.00 1.00 O ATOM 0 H GLY A 26 -2.922 -7.277 3.872 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -4.335 -8.660 1.856 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -4.531 -6.943 1.567 1.00 1.00 H new ATOM 377 N SER A 27 -2.437 -7.661 0.121 1.00 1.00 N ATOM 378 CA SER A 27 -1.148 -7.609 -0.594 1.00 1.00 C ATOM 379 C SER A 27 -1.348 -7.108 -2.028 1.00 1.00 C ATOM 380 O SER A 27 -2.408 -7.312 -2.618 1.00 1.00 O ATOM 381 CB SER A 27 -0.533 -9.014 -0.617 1.00 1.00 C ATOM 382 OG SER A 27 -1.376 -9.883 -1.362 1.00 1.00 O ATOM 0 H SER A 27 -3.255 -7.726 -0.485 1.00 1.00 H new ATOM 0 HA SER A 27 -0.480 -6.919 -0.078 1.00 1.00 H new ATOM 0 HB2 SER A 27 0.461 -8.981 -1.064 1.00 1.00 H new ATOM 0 HB3 SER A 27 -0.413 -9.388 0.400 1.00 1.00 H new ATOM 0 HG SER A 27 -0.985 -10.782 -1.380 1.00 1.00 H new ATOM 388 N LEU A 28 -0.326 -6.460 -2.577 1.00 1.00 N ATOM 389 CA LEU A 28 -0.360 -5.914 -3.958 1.00 1.00 C ATOM 390 C LEU A 28 0.696 -6.593 -4.828 1.00 1.00 C ATOM 391 O LEU A 28 1.580 -7.291 -4.331 1.00 1.00 O ATOM 392 CB LEU A 28 -0.122 -4.371 -3.913 1.00 1.00 C ATOM 393 CG LEU A 28 1.334 -3.993 -3.385 1.00 1.00 C ATOM 394 CD1 LEU A 28 2.284 -3.588 -4.556 1.00 1.00 C ATOM 395 CD2 LEU A 28 1.266 -2.810 -2.374 1.00 1.00 C ATOM 0 H LEU A 28 0.554 -6.291 -2.090 1.00 1.00 H new ATOM 0 HA LEU A 28 -1.338 -6.112 -4.397 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -0.262 -3.956 -4.911 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -0.870 -3.910 -3.268 1.00 1.00 H new ATOM 0 HG LEU A 28 1.730 -4.882 -2.894 1.00 1.00 H new ATOM 0 HD11 LEU A 28 3.267 -3.337 -4.157 1.00 1.00 H new ATOM 0 HD12 LEU A 28 2.377 -4.420 -5.254 1.00 1.00 H new ATOM 0 HD13 LEU A 28 1.872 -2.723 -5.076 1.00 1.00 H new ATOM 0 HD21 LEU A 28 2.271 -2.570 -2.027 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.833 -1.938 -2.863 1.00 1.00 H new ATOM 0 HD23 LEU A 28 0.647 -3.094 -1.523 1.00 1.00 H new ATOM 407 N SER A 29 0.595 -6.373 -6.135 1.00 1.00 N ATOM 408 CA SER A 29 1.528 -6.962 -7.125 1.00 1.00 C ATOM 409 C SER A 29 2.372 -5.879 -7.771 1.00 1.00 C ATOM 410 O SER A 29 1.993 -4.708 -7.763 1.00 1.00 O ATOM 411 CB SER A 29 0.708 -7.670 -8.213 1.00 1.00 C ATOM 412 OG SER A 29 -0.092 -6.708 -8.886 1.00 1.00 O ATOM 0 H SER A 29 -0.128 -5.786 -6.550 1.00 1.00 H new ATOM 0 HA SER A 29 2.187 -7.667 -6.619 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.371 -8.169 -8.919 1.00 1.00 H new ATOM 0 HB3 SER A 29 0.077 -8.440 -7.769 1.00 1.00 H new ATOM 0 HG SER A 29 -0.618 -7.151 -9.584 1.00 1.00 H new ATOM 418 N GLY A 30 3.501 -6.272 -8.352 1.00 1.00 N ATOM 419 CA GLY A 30 4.399 -5.335 -9.021 1.00 1.00 C ATOM 420 C GLY A 30 3.941 -5.070 -10.454 1.00 1.00 C ATOM 421 O GLY A 30 4.505 -5.592 -11.414 1.00 1.00 O ATOM 0 H GLY A 30 3.818 -7.241 -8.373 1.00 1.00 H new ATOM 0 HA2 GLY A 30 4.432 -4.397 -8.466 1.00 1.00 H new ATOM 0 HA3 GLY A 30 5.412 -5.737 -9.027 1.00 1.00 H new ATOM 425 N ASN A 31 2.895 -4.260 -10.581 1.00 1.00 N ATOM 426 CA ASN A 31 2.298 -3.891 -11.902 1.00 1.00 C ATOM 427 C ASN A 31 0.892 -3.266 -11.700 1.00 1.00 C ATOM 428 O ASN A 31 0.128 -3.199 -12.662 1.00 1.00 O ATOM 429 CB ASN A 31 2.162 -5.127 -12.867 1.00 1.00 C ATOM 430 CG ASN A 31 1.569 -4.752 -14.229 1.00 1.00 C ATOM 431 OD1 ASN A 31 0.448 -5.152 -14.548 1.00 1.00 O ATOM 432 ND2 ASN A 31 2.253 -4.003 -15.050 1.00 1.00 N ATOM 0 H ASN A 31 2.423 -3.831 -9.785 1.00 1.00 H new ATOM 0 HA ASN A 31 2.977 -3.171 -12.360 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.144 -5.577 -13.014 1.00 1.00 H new ATOM 0 HB3 ASN A 31 1.532 -5.882 -12.397 1.00 1.00 H new ATOM 0 HD21 ASN A 31 1.860 -3.748 -15.956 1.00 1.00 H new ATOM 0 HD22 ASN A 31 3.181 -3.672 -14.786 1.00 1.00 H new ATOM 439 N THR A 32 0.562 -2.843 -10.483 1.00 1.00 N ATOM 440 CA THR A 32 -0.755 -2.238 -10.156 1.00 1.00 C ATOM 441 C THR A 32 -0.615 -0.736 -9.864 1.00 1.00 C ATOM 442 O THR A 32 0.394 -0.299 -9.311 1.00 1.00 O ATOM 443 CB THR A 32 -1.355 -2.956 -8.921 1.00 1.00 C ATOM 444 OG1 THR A 32 -1.385 -4.353 -9.174 1.00 1.00 O ATOM 445 CG2 THR A 32 -2.794 -2.470 -8.633 1.00 1.00 C ATOM 0 H THR A 32 1.192 -2.904 -9.683 1.00 1.00 H new ATOM 0 HA THR A 32 -1.416 -2.358 -11.015 1.00 1.00 H new ATOM 0 HB THR A 32 -0.734 -2.730 -8.054 1.00 1.00 H new ATOM 0 HG1 THR A 32 -0.559 -4.763 -8.843 1.00 1.00 H new ATOM 0 HG21 THR A 32 -3.187 -2.993 -7.761 1.00 1.00 H new ATOM 0 HG22 THR A 32 -2.784 -1.397 -8.439 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.427 -2.677 -9.496 1.00 1.00 H new ATOM 453 N LYS A 33 -1.644 0.033 -10.208 1.00 1.00 N ATOM 454 CA LYS A 33 -1.667 1.488 -9.961 1.00 1.00 C ATOM 455 C LYS A 33 -2.283 1.783 -8.585 1.00 1.00 C ATOM 456 O LYS A 33 -3.161 1.053 -8.126 1.00 1.00 O ATOM 457 CB LYS A 33 -2.482 2.201 -11.071 1.00 1.00 C ATOM 458 CG LYS A 33 -3.931 1.653 -11.148 1.00 1.00 C ATOM 459 CD LYS A 33 -4.701 2.358 -12.291 1.00 1.00 C ATOM 460 CE LYS A 33 -6.127 1.788 -12.404 1.00 1.00 C ATOM 461 NZ LYS A 33 -6.849 1.988 -11.117 1.00 1.00 N ATOM 0 H LYS A 33 -2.484 -0.323 -10.663 1.00 1.00 H new ATOM 0 HA LYS A 33 -0.644 1.863 -9.975 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -2.507 3.273 -10.875 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -1.988 2.064 -12.033 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -3.913 0.577 -11.319 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -4.442 1.816 -10.199 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -4.744 3.431 -12.102 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -4.171 2.222 -13.234 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -6.664 2.282 -13.214 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -6.087 0.727 -12.649 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -7.870 1.859 -11.268 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -6.512 1.295 -10.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -6.670 2.950 -10.764 1.00 1.00 H new ATOM 475 N VAL A 34 -1.830 2.858 -7.948 1.00 1.00 N ATOM 476 CA VAL A 34 -2.351 3.258 -6.613 1.00 1.00 C ATOM 477 C VAL A 34 -2.430 4.795 -6.508 1.00 1.00 C ATOM 478 O VAL A 34 -1.442 5.494 -6.731 1.00 1.00 O ATOM 479 CB VAL A 34 -1.451 2.677 -5.468 1.00 1.00 C ATOM 480 CG1 VAL A 34 -1.620 1.137 -5.373 1.00 1.00 C ATOM 481 CG2 VAL A 34 0.042 3.007 -5.720 1.00 1.00 C ATOM 0 H VAL A 34 -1.107 3.475 -8.319 1.00 1.00 H new ATOM 0 HA VAL A 34 -3.354 2.848 -6.499 1.00 1.00 H new ATOM 0 HB VAL A 34 -1.767 3.137 -4.532 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -0.988 0.750 -4.573 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -2.662 0.898 -5.160 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -1.329 0.680 -6.319 1.00 1.00 H new ATOM 0 HG21 VAL A 34 0.647 2.594 -4.913 1.00 1.00 H new ATOM 0 HG22 VAL A 34 0.356 2.571 -6.668 1.00 1.00 H new ATOM 0 HG23 VAL A 34 0.175 4.088 -5.756 1.00 1.00 H new ATOM 491 N THR A 35 -3.609 5.299 -6.159 1.00 1.00 N ATOM 492 CA THR A 35 -3.838 6.740 -6.011 1.00 1.00 C ATOM 493 C THR A 35 -3.381 7.219 -4.633 1.00 1.00 C ATOM 494 O THR A 35 -4.166 7.301 -3.689 1.00 1.00 O ATOM 495 CB THR A 35 -5.345 7.035 -6.222 1.00 1.00 C ATOM 496 OG1 THR A 35 -5.553 8.433 -6.092 1.00 1.00 O ATOM 497 CG2 THR A 35 -6.253 6.276 -5.195 1.00 1.00 C ATOM 0 H THR A 35 -4.432 4.727 -5.971 1.00 1.00 H new ATOM 0 HA THR A 35 -3.256 7.279 -6.759 1.00 1.00 H new ATOM 0 HB THR A 35 -5.622 6.686 -7.217 1.00 1.00 H new ATOM 0 HG1 THR A 35 -6.503 8.636 -6.225 1.00 1.00 H new ATOM 0 HG21 THR A 35 -7.299 6.517 -5.386 1.00 1.00 H new ATOM 0 HG22 THR A 35 -6.103 5.202 -5.301 1.00 1.00 H new ATOM 0 HG23 THR A 35 -5.990 6.581 -4.182 1.00 1.00 H new ATOM 505 N ILE A 36 -2.091 7.529 -4.532 1.00 1.00 N ATOM 506 CA ILE A 36 -1.507 8.009 -3.273 1.00 1.00 C ATOM 507 C ILE A 36 -2.337 9.177 -2.715 1.00 1.00 C ATOM 508 O ILE A 36 -3.053 9.855 -3.451 1.00 1.00 O ATOM 509 CB ILE A 36 -0.027 8.433 -3.526 1.00 1.00 C ATOM 510 CG1 ILE A 36 0.773 7.192 -4.050 1.00 1.00 C ATOM 511 CG2 ILE A 36 0.628 8.982 -2.216 1.00 1.00 C ATOM 512 CD1 ILE A 36 2.169 7.601 -4.541 1.00 1.00 C ATOM 0 H ILE A 36 -1.427 7.458 -5.303 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.520 7.212 -2.530 1.00 1.00 H new ATOM 0 HB ILE A 36 -0.006 9.230 -4.270 1.00 1.00 H new ATOM 0 HG12 ILE A 36 0.866 6.453 -3.254 1.00 1.00 H new ATOM 0 HG13 ILE A 36 0.223 6.718 -4.863 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.659 9.271 -2.418 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.070 9.851 -1.866 1.00 1.00 H new ATOM 0 HG23 ILE A 36 0.612 8.208 -1.449 1.00 1.00 H new ATOM 0 HD11 ILE A 36 2.701 6.720 -4.899 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.072 8.321 -5.353 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.726 8.053 -3.720 1.00 1.00 H new ATOM 524 N VAL A 37 -2.228 9.396 -1.408 1.00 1.00 N ATOM 525 CA VAL A 37 -2.983 10.473 -0.726 1.00 1.00 C ATOM 526 C VAL A 37 -2.027 11.351 0.082 1.00 1.00 C ATOM 527 O VAL A 37 -1.411 12.253 -0.488 1.00 1.00 O ATOM 528 CB VAL A 37 -4.083 9.825 0.160 1.00 1.00 C ATOM 529 CG1 VAL A 37 -4.987 10.908 0.800 1.00 1.00 C ATOM 530 CG2 VAL A 37 -4.956 8.885 -0.715 1.00 1.00 C ATOM 0 H VAL A 37 -1.628 8.849 -0.790 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.470 11.122 -1.454 1.00 1.00 H new ATOM 0 HB VAL A 37 -3.599 9.260 0.957 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -5.749 10.429 1.415 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -4.381 11.567 1.421 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -5.468 11.491 0.015 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -5.729 8.428 -0.098 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -5.423 9.461 -1.514 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.329 8.105 -1.148 1.00 1.00 H new ATOM 540 N GLY A 38 -1.911 11.108 1.384 1.00 1.00 N ATOM 541 CA GLY A 38 -1.026 11.891 2.261 1.00 1.00 C ATOM 542 C GLY A 38 0.284 11.156 2.508 1.00 1.00 C ATOM 543 O GLY A 38 0.512 10.057 1.999 1.00 1.00 O ATOM 0 H GLY A 38 -2.422 10.368 1.866 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.823 12.861 1.807 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -1.525 12.082 3.211 1.00 1.00 H new ATOM 547 N GLU A 39 1.140 11.770 3.318 1.00 1.00 N ATOM 548 CA GLU A 39 2.457 11.180 3.659 1.00 1.00 C ATOM 549 C GLU A 39 2.720 11.307 5.161 1.00 1.00 C ATOM 550 O GLU A 39 2.378 12.313 5.781 1.00 1.00 O ATOM 551 CB GLU A 39 3.568 11.910 2.870 1.00 1.00 C ATOM 552 CG GLU A 39 3.359 11.713 1.352 1.00 1.00 C ATOM 553 CD GLU A 39 4.481 12.393 0.568 1.00 1.00 C ATOM 554 OE1 GLU A 39 4.363 13.580 0.314 1.00 1.00 O ATOM 555 OE2 GLU A 39 5.439 11.716 0.234 1.00 1.00 O ATOM 0 H GLU A 39 0.959 12.673 3.756 1.00 1.00 H new ATOM 0 HA GLU A 39 2.454 10.123 3.392 1.00 1.00 H new ATOM 0 HB2 GLU A 39 3.558 12.973 3.111 1.00 1.00 H new ATOM 0 HB3 GLU A 39 4.545 11.526 3.163 1.00 1.00 H new ATOM 0 HG2 GLU A 39 3.335 10.649 1.117 1.00 1.00 H new ATOM 0 HG3 GLU A 39 2.396 12.127 1.054 1.00 1.00 H new ATOM 562 N GLU A 40 3.327 10.273 5.736 1.00 1.00 N ATOM 563 CA GLU A 40 3.642 10.255 7.166 1.00 1.00 C ATOM 564 C GLU A 40 4.821 9.306 7.443 1.00 1.00 C ATOM 565 O GLU A 40 4.861 8.181 6.947 1.00 1.00 O ATOM 566 CB GLU A 40 2.384 9.829 7.962 1.00 1.00 C ATOM 567 CG GLU A 40 1.885 8.433 7.509 1.00 1.00 C ATOM 568 CD GLU A 40 0.564 8.086 8.208 1.00 1.00 C ATOM 569 OE1 GLU A 40 0.526 8.159 9.424 1.00 1.00 O ATOM 570 OE2 GLU A 40 -0.388 7.760 7.514 1.00 1.00 O ATOM 0 H GLU A 40 3.613 9.432 5.234 1.00 1.00 H new ATOM 0 HA GLU A 40 3.939 11.254 7.487 1.00 1.00 H new ATOM 0 HB2 GLU A 40 2.613 9.809 9.027 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.593 10.565 7.820 1.00 1.00 H new ATOM 0 HG2 GLU A 40 1.746 8.422 6.428 1.00 1.00 H new ATOM 0 HG3 GLU A 40 2.636 7.678 7.741 1.00 1.00 H new ATOM 577 N GLY A 41 5.763 9.771 8.258 1.00 1.00 N ATOM 578 CA GLY A 41 6.943 8.957 8.604 1.00 1.00 C ATOM 579 C GLY A 41 7.603 8.343 7.347 1.00 1.00 C ATOM 580 O GLY A 41 8.146 9.055 6.502 1.00 1.00 O ATOM 0 H GLY A 41 5.742 10.694 8.691 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.670 9.575 9.131 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.648 8.160 9.286 1.00 1.00 H new ATOM 584 N ALA A 42 7.534 7.020 7.244 1.00 1.00 N ATOM 585 CA ALA A 42 8.106 6.278 6.085 1.00 1.00 C ATOM 586 C ALA A 42 7.019 5.454 5.404 1.00 1.00 C ATOM 587 O ALA A 42 7.335 4.463 4.743 1.00 1.00 O ATOM 588 CB ALA A 42 9.236 5.336 6.545 1.00 1.00 C ATOM 0 H ALA A 42 7.090 6.423 7.942 1.00 1.00 H new ATOM 0 HA ALA A 42 8.511 7.007 5.383 1.00 1.00 H new ATOM 0 HB1 ALA A 42 9.640 4.804 5.683 1.00 1.00 H new ATOM 0 HB2 ALA A 42 10.028 5.920 7.015 1.00 1.00 H new ATOM 0 HB3 ALA A 42 8.841 4.617 7.263 1.00 1.00 H new ATOM 594 N PHE A 43 5.761 5.858 5.546 1.00 1.00 N ATOM 595 CA PHE A 43 4.626 5.141 4.947 1.00 1.00 C ATOM 596 C PHE A 43 3.544 6.132 4.507 1.00 1.00 C ATOM 597 O PHE A 43 3.438 7.240 5.035 1.00 1.00 O ATOM 598 CB PHE A 43 4.039 4.167 5.996 1.00 1.00 C ATOM 599 CG PHE A 43 5.161 3.276 6.553 1.00 1.00 C ATOM 600 CD1 PHE A 43 5.491 2.060 5.920 1.00 1.00 C ATOM 601 CD2 PHE A 43 5.878 3.673 7.703 1.00 1.00 C ATOM 602 CE1 PHE A 43 6.520 1.255 6.433 1.00 1.00 C ATOM 603 CE2 PHE A 43 6.906 2.864 8.208 1.00 1.00 C ATOM 604 CZ PHE A 43 7.226 1.658 7.575 1.00 1.00 C ATOM 0 H PHE A 43 5.493 6.687 6.076 1.00 1.00 H new ATOM 0 HA PHE A 43 4.970 4.588 4.073 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.569 4.727 6.805 1.00 1.00 H new ATOM 0 HB3 PHE A 43 3.263 3.551 5.542 1.00 1.00 H new ATOM 0 HD1 PHE A 43 4.951 1.747 5.039 1.00 1.00 H new ATOM 0 HD2 PHE A 43 5.634 4.603 8.195 1.00 1.00 H new ATOM 0 HE1 PHE A 43 6.768 0.323 5.947 1.00 1.00 H new ATOM 0 HE2 PHE A 43 7.452 3.172 9.087 1.00 1.00 H new ATOM 0 HZ PHE A 43 8.018 1.037 7.967 1.00 1.00 H new ATOM 614 N TYR A 44 2.730 5.707 3.547 1.00 1.00 N ATOM 615 CA TYR A 44 1.624 6.548 3.014 1.00 1.00 C ATOM 616 C TYR A 44 0.321 5.748 2.963 1.00 1.00 C ATOM 617 O TYR A 44 0.328 4.519 3.029 1.00 1.00 O ATOM 618 CB TYR A 44 1.999 7.065 1.605 1.00 1.00 C ATOM 619 CG TYR A 44 2.295 5.887 0.662 1.00 1.00 C ATOM 620 CD1 TYR A 44 3.519 5.199 0.761 1.00 1.00 C ATOM 621 CD2 TYR A 44 1.359 5.488 -0.318 1.00 1.00 C ATOM 622 CE1 TYR A 44 3.799 4.131 -0.104 1.00 1.00 C ATOM 623 CE2 TYR A 44 1.648 4.421 -1.176 1.00 1.00 C ATOM 624 CZ TYR A 44 2.863 3.745 -1.071 1.00 1.00 C ATOM 625 OH TYR A 44 3.137 2.693 -1.918 1.00 1.00 O ATOM 0 H TYR A 44 2.802 4.788 3.111 1.00 1.00 H new ATOM 0 HA TYR A 44 1.473 7.400 3.676 1.00 1.00 H new ATOM 0 HB2 TYR A 44 1.183 7.665 1.202 1.00 1.00 H new ATOM 0 HB3 TYR A 44 2.871 7.715 1.670 1.00 1.00 H new ATOM 0 HD1 TYR A 44 4.244 5.494 1.505 1.00 1.00 H new ATOM 0 HD2 TYR A 44 0.417 6.008 -0.405 1.00 1.00 H new ATOM 0 HE1 TYR A 44 4.739 3.605 -0.024 1.00 1.00 H new ATOM 0 HE2 TYR A 44 0.927 4.120 -1.922 1.00 1.00 H new ATOM 0 HH TYR A 44 2.381 2.557 -2.526 1.00 1.00 H new ATOM 635 N LYS A 45 -0.796 6.459 2.848 1.00 1.00 N ATOM 636 CA LYS A 45 -2.129 5.828 2.800 1.00 1.00 C ATOM 637 C LYS A 45 -2.498 5.484 1.355 1.00 1.00 C ATOM 638 O LYS A 45 -1.927 6.029 0.411 1.00 1.00 O ATOM 639 CB LYS A 45 -3.184 6.794 3.398 1.00 1.00 C ATOM 640 CG LYS A 45 -2.887 7.065 4.892 1.00 1.00 C ATOM 641 CD LYS A 45 -3.956 8.012 5.490 1.00 1.00 C ATOM 642 CE LYS A 45 -3.663 8.278 6.981 1.00 1.00 C ATOM 643 NZ LYS A 45 -4.708 9.182 7.546 1.00 1.00 N ATOM 0 H LYS A 45 -0.814 7.477 2.785 1.00 1.00 H new ATOM 0 HA LYS A 45 -2.109 4.909 3.385 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -3.181 7.733 2.845 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -4.180 6.365 3.291 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -2.875 6.125 5.444 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -1.897 7.510 4.998 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -3.965 8.953 4.941 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -4.946 7.569 5.380 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -3.646 7.337 7.532 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -2.678 8.731 7.093 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -4.507 9.359 8.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -4.704 10.084 7.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -5.642 8.734 7.453 1.00 1.00 H new ATOM 657 N ILE A 46 -3.453 4.572 1.197 1.00 1.00 N ATOM 658 CA ILE A 46 -3.908 4.134 -0.145 1.00 1.00 C ATOM 659 C ILE A 46 -5.414 3.818 -0.127 1.00 1.00 C ATOM 660 O ILE A 46 -5.978 3.450 0.903 1.00 1.00 O ATOM 661 CB ILE A 46 -3.097 2.881 -0.619 1.00 1.00 C ATOM 662 CG1 ILE A 46 -3.217 1.738 0.436 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.600 3.251 -0.838 1.00 1.00 C ATOM 664 CD1 ILE A 46 -2.522 0.452 -0.053 1.00 1.00 C ATOM 0 H ILE A 46 -3.934 4.115 1.972 1.00 1.00 H new ATOM 0 HA ILE A 46 -3.732 4.948 -0.848 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.511 2.536 -1.567 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -2.771 2.060 1.377 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -4.269 1.533 0.635 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -1.051 2.368 -1.167 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.525 4.029 -1.598 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -1.175 3.615 0.097 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -2.623 -0.326 0.704 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -2.986 0.118 -0.981 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -1.465 0.654 -0.228 1.00 1.00 H new ATOM 676 N GLU A 47 -6.045 3.958 -1.287 1.00 1.00 N ATOM 677 CA GLU A 47 -7.494 3.688 -1.434 1.00 1.00 C ATOM 678 C GLU A 47 -7.714 2.258 -1.948 1.00 1.00 C ATOM 679 O GLU A 47 -8.326 2.040 -2.994 1.00 1.00 O ATOM 680 CB GLU A 47 -8.101 4.711 -2.419 1.00 1.00 C ATOM 681 CG GLU A 47 -7.907 6.159 -1.898 1.00 1.00 C ATOM 682 CD GLU A 47 -8.680 6.395 -0.599 1.00 1.00 C ATOM 683 OE1 GLU A 47 -9.708 5.765 -0.419 1.00 1.00 O ATOM 684 OE2 GLU A 47 -8.226 7.202 0.196 1.00 1.00 O ATOM 0 H GLU A 47 -5.587 4.257 -2.148 1.00 1.00 H new ATOM 0 HA GLU A 47 -7.984 3.784 -0.465 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -7.630 4.605 -3.396 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -9.163 4.507 -2.553 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -6.847 6.348 -1.731 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -8.242 6.867 -2.656 1.00 1.00 H new ATOM 691 N TYR A 48 -7.215 1.290 -1.185 1.00 1.00 N ATOM 692 CA TYR A 48 -7.359 -0.128 -1.559 1.00 1.00 C ATOM 693 C TYR A 48 -8.769 -0.622 -1.204 1.00 1.00 C ATOM 694 O TYR A 48 -9.149 -0.635 -0.034 1.00 1.00 O ATOM 695 CB TYR A 48 -6.297 -0.966 -0.813 1.00 1.00 C ATOM 696 CG TYR A 48 -6.357 -2.436 -1.269 1.00 1.00 C ATOM 697 CD1 TYR A 48 -5.744 -2.824 -2.477 1.00 1.00 C ATOM 698 CD2 TYR A 48 -7.026 -3.407 -0.494 1.00 1.00 C ATOM 699 CE1 TYR A 48 -5.800 -4.159 -2.901 1.00 1.00 C ATOM 700 CE2 TYR A 48 -7.078 -4.740 -0.926 1.00 1.00 C ATOM 701 CZ TYR A 48 -6.466 -5.114 -2.126 1.00 1.00 C ATOM 702 OH TYR A 48 -6.518 -6.428 -2.545 1.00 1.00 O ATOM 0 H TYR A 48 -6.712 1.450 -0.312 1.00 1.00 H new ATOM 0 HA TYR A 48 -7.211 -0.237 -2.633 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.304 -0.560 -1.004 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -6.465 -0.905 0.262 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -5.229 -2.090 -3.079 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -7.499 -3.123 0.434 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -5.328 -4.451 -3.828 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -7.592 -5.480 -0.330 1.00 1.00 H new ATOM 0 HH TYR A 48 -7.017 -6.960 -1.891 1.00 1.00 H new ATOM 712 N LYS A 49 -9.530 -1.025 -2.216 1.00 1.00 N ATOM 713 CA LYS A 49 -10.912 -1.515 -1.997 1.00 1.00 C ATOM 714 C LYS A 49 -11.699 -0.583 -1.029 1.00 1.00 C ATOM 715 O LYS A 49 -12.542 -1.033 -0.253 1.00 1.00 O ATOM 716 CB LYS A 49 -10.875 -2.956 -1.429 1.00 1.00 C ATOM 717 CG LYS A 49 -10.037 -3.927 -2.321 1.00 1.00 C ATOM 718 CD LYS A 49 -10.735 -4.238 -3.674 1.00 1.00 C ATOM 719 CE LYS A 49 -9.917 -5.281 -4.468 1.00 1.00 C ATOM 720 NZ LYS A 49 -8.579 -4.716 -4.796 1.00 1.00 N ATOM 0 H LYS A 49 -9.230 -1.028 -3.191 1.00 1.00 H new ATOM 0 HA LYS A 49 -11.427 -1.514 -2.958 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -10.454 -2.937 -0.424 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.893 -3.335 -1.341 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -9.058 -3.487 -2.513 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -9.867 -4.858 -1.780 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -11.742 -4.615 -3.494 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.837 -3.323 -4.258 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.805 -6.194 -3.882 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -10.444 -5.552 -5.383 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -8.172 -5.233 -5.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.678 -3.711 -5.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -7.952 -4.808 -3.972 1.00 1.00 H new ATOM 734 N GLY A 50 -11.393 0.708 -1.096 1.00 1.00 N ATOM 735 CA GLY A 50 -12.071 1.697 -0.225 1.00 1.00 C ATOM 736 C GLY A 50 -11.679 1.507 1.249 1.00 1.00 C ATOM 737 O GLY A 50 -12.398 1.919 2.161 1.00 1.00 O ATOM 0 H GLY A 50 -10.695 1.102 -1.727 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -11.810 2.706 -0.545 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.151 1.598 -0.332 1.00 1.00 H new ATOM 741 N SER A 51 -10.535 0.865 1.462 1.00 1.00 N ATOM 742 CA SER A 51 -10.001 0.572 2.823 1.00 1.00 C ATOM 743 C SER A 51 -8.678 1.304 3.059 1.00 1.00 C ATOM 744 O SER A 51 -8.109 1.899 2.142 1.00 1.00 O ATOM 745 CB SER A 51 -9.779 -0.940 2.999 1.00 1.00 C ATOM 746 OG SER A 51 -9.385 -1.196 4.341 1.00 1.00 O ATOM 0 H SER A 51 -9.938 0.526 0.707 1.00 1.00 H new ATOM 0 HA SER A 51 -10.735 0.920 3.550 1.00 1.00 H new ATOM 0 HB2 SER A 51 -10.694 -1.485 2.765 1.00 1.00 H new ATOM 0 HB3 SER A 51 -9.013 -1.291 2.308 1.00 1.00 H new ATOM 0 HG SER A 51 -9.243 -2.158 4.462 1.00 1.00 H new ATOM 752 N HIS A 52 -8.199 1.254 4.297 1.00 1.00 N ATOM 753 CA HIS A 52 -6.933 1.915 4.681 1.00 1.00 C ATOM 754 C HIS A 52 -5.775 0.904 4.651 1.00 1.00 C ATOM 755 O HIS A 52 -5.908 -0.228 5.119 1.00 1.00 O ATOM 756 CB HIS A 52 -7.082 2.486 6.107 1.00 1.00 C ATOM 757 CG HIS A 52 -8.185 3.512 6.132 1.00 1.00 C ATOM 758 ND1 HIS A 52 -8.066 4.735 5.490 1.00 1.00 N ATOM 759 CD2 HIS A 52 -9.438 3.504 6.694 1.00 1.00 C ATOM 760 CE1 HIS A 52 -9.218 5.405 5.676 1.00 1.00 C ATOM 761 NE2 HIS A 52 -10.089 4.700 6.404 1.00 1.00 N ATOM 0 H HIS A 52 -8.662 0.764 5.062 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.715 2.718 3.976 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -7.304 1.682 6.809 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.144 2.939 6.427 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -9.855 2.693 7.273 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -9.415 6.392 5.285 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -11.029 4.978 6.686 1.00 1.00 H new ATOM 770 N GLY A 53 -4.641 1.331 4.104 1.00 1.00 N ATOM 771 CA GLY A 53 -3.447 0.464 4.006 1.00 1.00 C ATOM 772 C GLY A 53 -2.168 1.284 4.104 1.00 1.00 C ATOM 773 O GLY A 53 -2.183 2.503 3.945 1.00 1.00 O ATOM 0 H GLY A 53 -4.513 2.267 3.720 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.468 -0.281 4.802 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.464 -0.079 3.061 1.00 1.00 H new ATOM 777 N TYR A 54 -1.058 0.602 4.377 1.00 1.00 N ATOM 778 CA TYR A 54 0.265 1.258 4.510 1.00 1.00 C ATOM 779 C TYR A 54 1.337 0.477 3.726 1.00 1.00 C ATOM 780 O TYR A 54 1.384 -0.752 3.752 1.00 1.00 O ATOM 781 CB TYR A 54 0.647 1.334 5.998 1.00 1.00 C ATOM 782 CG TYR A 54 -0.394 2.175 6.752 1.00 1.00 C ATOM 783 CD1 TYR A 54 -1.602 1.585 7.176 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.157 3.539 7.026 1.00 1.00 C ATOM 785 CE1 TYR A 54 -2.555 2.348 7.863 1.00 1.00 C ATOM 786 CE2 TYR A 54 -1.116 4.294 7.715 1.00 1.00 C ATOM 787 CZ TYR A 54 -2.311 3.699 8.131 1.00 1.00 C ATOM 788 OH TYR A 54 -3.250 4.446 8.811 1.00 1.00 O ATOM 0 H TYR A 54 -1.036 -0.409 4.513 1.00 1.00 H new ATOM 0 HA TYR A 54 0.207 2.265 4.097 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.697 0.332 6.423 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.637 1.777 6.108 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -1.793 0.542 6.971 1.00 1.00 H new ATOM 0 HD2 TYR A 54 0.764 4.002 6.704 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -3.479 1.893 8.186 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -0.932 5.337 7.925 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.924 5.364 8.915 1.00 1.00 H new ATOM 798 N VAL A 55 2.198 1.220 3.039 1.00 1.00 N ATOM 799 CA VAL A 55 3.286 0.608 2.235 1.00 1.00 C ATOM 800 C VAL A 55 4.548 1.485 2.299 1.00 1.00 C ATOM 801 O VAL A 55 4.470 2.702 2.456 1.00 1.00 O ATOM 802 CB VAL A 55 2.819 0.426 0.756 1.00 1.00 C ATOM 803 CG1 VAL A 55 3.903 -0.309 -0.078 1.00 1.00 C ATOM 804 CG2 VAL A 55 1.496 -0.394 0.709 1.00 1.00 C ATOM 0 H VAL A 55 2.177 2.239 3.013 1.00 1.00 H new ATOM 0 HA VAL A 55 3.525 -0.372 2.647 1.00 1.00 H new ATOM 0 HB VAL A 55 2.654 1.416 0.330 1.00 1.00 H new ATOM 0 HG11 VAL A 55 3.556 -0.425 -1.105 1.00 1.00 H new ATOM 0 HG12 VAL A 55 4.825 0.273 -0.070 1.00 1.00 H new ATOM 0 HG13 VAL A 55 4.090 -1.292 0.354 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.179 -0.515 -0.327 1.00 1.00 H new ATOM 0 HG22 VAL A 55 1.660 -1.375 1.155 1.00 1.00 H new ATOM 0 HG23 VAL A 55 0.721 0.133 1.266 1.00 1.00 H new ATOM 814 N ALA A 56 5.705 0.844 2.166 1.00 1.00 N ATOM 815 CA ALA A 56 6.991 1.563 2.208 1.00 1.00 C ATOM 816 C ALA A 56 7.275 2.236 0.858 1.00 1.00 C ATOM 817 O ALA A 56 7.478 1.558 -0.149 1.00 1.00 O ATOM 818 CB ALA A 56 8.118 0.568 2.540 1.00 1.00 C ATOM 0 H ALA A 56 5.788 -0.163 2.029 1.00 1.00 H new ATOM 0 HA ALA A 56 6.942 2.335 2.976 1.00 1.00 H new ATOM 0 HB1 ALA A 56 9.071 1.096 2.572 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.924 0.109 3.510 1.00 1.00 H new ATOM 0 HB3 ALA A 56 8.157 -0.206 1.774 1.00 1.00 H new ATOM 824 N LYS A 57 7.280 3.566 0.848 1.00 1.00 N ATOM 825 CA LYS A 57 7.539 4.326 -0.391 1.00 1.00 C ATOM 826 C LYS A 57 9.028 4.265 -0.758 1.00 1.00 C ATOM 827 O LYS A 57 9.393 4.353 -1.932 1.00 1.00 O ATOM 828 CB LYS A 57 7.095 5.810 -0.214 1.00 1.00 C ATOM 829 CG LYS A 57 7.628 6.382 1.126 1.00 1.00 C ATOM 830 CD LYS A 57 7.300 7.890 1.224 1.00 1.00 C ATOM 831 CE LYS A 57 7.789 8.455 2.570 1.00 1.00 C ATOM 832 NZ LYS A 57 9.262 8.258 2.689 1.00 1.00 N ATOM 0 H LYS A 57 7.110 4.144 1.671 1.00 1.00 H new ATOM 0 HA LYS A 57 6.962 3.876 -1.199 1.00 1.00 H new ATOM 0 HB2 LYS A 57 7.468 6.409 -1.045 1.00 1.00 H new ATOM 0 HB3 LYS A 57 6.007 5.875 -0.237 1.00 1.00 H new ATOM 0 HG2 LYS A 57 7.178 5.848 1.963 1.00 1.00 H new ATOM 0 HG3 LYS A 57 8.705 6.230 1.193 1.00 1.00 H new ATOM 0 HD2 LYS A 57 7.774 8.427 0.402 1.00 1.00 H new ATOM 0 HD3 LYS A 57 6.225 8.043 1.126 1.00 1.00 H new ATOM 0 HE2 LYS A 57 7.547 9.515 2.640 1.00 1.00 H new ATOM 0 HE3 LYS A 57 7.277 7.956 3.393 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 9.636 8.876 3.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 9.461 7.266 2.928 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 9.718 8.494 1.785 1.00 1.00 H new ATOM 846 N GLU A 58 9.877 4.118 0.254 1.00 1.00 N ATOM 847 CA GLU A 58 11.333 4.063 0.015 1.00 1.00 C ATOM 848 C GLU A 58 11.685 2.958 -0.999 1.00 1.00 C ATOM 849 O GLU A 58 12.466 3.183 -1.924 1.00 1.00 O ATOM 850 CB GLU A 58 12.048 3.817 1.362 1.00 1.00 C ATOM 851 CG GLU A 58 13.585 3.887 1.207 1.00 1.00 C ATOM 852 CD GLU A 58 14.267 3.678 2.563 1.00 1.00 C ATOM 853 OE1 GLU A 58 13.901 2.736 3.249 1.00 1.00 O ATOM 854 OE2 GLU A 58 15.147 4.459 2.894 1.00 1.00 O ATOM 0 H GLU A 58 9.600 4.035 1.232 1.00 1.00 H new ATOM 0 HA GLU A 58 11.666 5.010 -0.409 1.00 1.00 H new ATOM 0 HB2 GLU A 58 11.720 4.559 2.090 1.00 1.00 H new ATOM 0 HB3 GLU A 58 11.764 2.840 1.753 1.00 1.00 H new ATOM 0 HG2 GLU A 58 13.921 3.126 0.502 1.00 1.00 H new ATOM 0 HG3 GLU A 58 13.872 4.854 0.793 1.00 1.00 H new ATOM 861 N TYR A 59 11.091 1.782 -0.824 1.00 1.00 N ATOM 862 CA TYR A 59 11.334 0.655 -1.747 1.00 1.00 C ATOM 863 C TYR A 59 10.843 1.018 -3.164 1.00 1.00 C ATOM 864 O TYR A 59 11.445 0.603 -4.154 1.00 1.00 O ATOM 865 CB TYR A 59 10.606 -0.621 -1.229 1.00 1.00 C ATOM 866 CG TYR A 59 11.375 -1.251 -0.050 1.00 1.00 C ATOM 867 CD1 TYR A 59 11.436 -0.574 1.180 1.00 1.00 C ATOM 868 CD2 TYR A 59 12.022 -2.503 -0.183 1.00 1.00 C ATOM 869 CE1 TYR A 59 12.132 -1.136 2.261 1.00 1.00 C ATOM 870 CE2 TYR A 59 12.715 -3.056 0.904 1.00 1.00 C ATOM 871 CZ TYR A 59 12.767 -2.374 2.122 1.00 1.00 C ATOM 872 OH TYR A 59 13.448 -2.923 3.189 1.00 1.00 O ATOM 0 H TYR A 59 10.443 1.576 -0.064 1.00 1.00 H new ATOM 0 HA TYR A 59 12.404 0.453 -1.791 1.00 1.00 H new ATOM 0 HB2 TYR A 59 9.594 -0.365 -0.914 1.00 1.00 H new ATOM 0 HB3 TYR A 59 10.514 -1.346 -2.038 1.00 1.00 H new ATOM 0 HD1 TYR A 59 10.946 0.382 1.294 1.00 1.00 H new ATOM 0 HD2 TYR A 59 11.982 -3.033 -1.123 1.00 1.00 H new ATOM 0 HE1 TYR A 59 12.177 -0.611 3.204 1.00 1.00 H new ATOM 0 HE2 TYR A 59 13.209 -4.011 0.799 1.00 1.00 H new ATOM 0 HH TYR A 59 13.830 -3.786 2.924 1.00 1.00 H new ATOM 882 N ILE A 60 9.755 1.778 -3.245 1.00 1.00 N ATOM 883 CA ILE A 60 9.180 2.184 -4.546 1.00 1.00 C ATOM 884 C ILE A 60 9.961 3.387 -5.091 1.00 1.00 C ATOM 885 O ILE A 60 9.683 4.495 -4.663 1.00 1.00 O ATOM 886 CB ILE A 60 7.671 2.545 -4.362 1.00 1.00 C ATOM 887 CG1 ILE A 60 6.912 1.322 -3.747 1.00 1.00 C ATOM 888 CG2 ILE A 60 7.031 2.916 -5.730 1.00 1.00 C ATOM 889 CD1 ILE A 60 5.460 1.697 -3.385 1.00 1.00 C ATOM 890 OXT ILE A 60 10.826 3.179 -5.930 1.00 1.00 O ATOM 0 H ILE A 60 9.247 2.130 -2.434 1.00 1.00 H new ATOM 0 HA ILE A 60 9.255 1.362 -5.258 1.00 1.00 H new ATOM 0 HB ILE A 60 7.594 3.402 -3.693 1.00 1.00 H new ATOM 0 HG12 ILE A 60 6.911 0.495 -4.457 1.00 1.00 H new ATOM 0 HG13 ILE A 60 7.435 0.976 -2.855 1.00 1.00 H new ATOM 0 HG21 ILE A 60 5.980 3.165 -5.584 1.00 1.00 H new ATOM 0 HG22 ILE A 60 7.552 3.774 -6.154 1.00 1.00 H new ATOM 0 HG23 ILE A 60 7.112 2.069 -6.411 1.00 1.00 H new ATOM 0 HD11 ILE A 60 4.955 0.829 -2.960 1.00 1.00 H new ATOM 0 HD12 ILE A 60 5.464 2.508 -2.656 1.00 1.00 H new ATOM 0 HD13 ILE A 60 4.933 2.019 -4.283 1.00 1.00 H new TER 902 ILE A 60