USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 623 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 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.31) USER MOD Single : A 18 ASN : amide:sc= -0.547 K(o=-0.55,f=-3.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.026) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.27) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -122:sc= -4.77! (180deg=-10.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -152:sc= 0.381 USER MOD Single : A 47 SER OG : rot 180:sc= -0.261 USER MOD Single : A 50 GLN : amide:sc= -0.389 K(o=-0.39,f=-1.2) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.655 K(o=-0.65,f=-0.1) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.048) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.992 USER MOD Single : A 74 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.4!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.195 K(o=-0.2,f=-2.5!) USER MOD Single : A 88 GLN : amide:sc= -0.472 K(o=-0.47,f=-4.1!) USER MOD Single : A 89 GLN : amide:sc= -0.0185 K(o=-0.019,f=-0.59) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -19.031 -1.252 6.164 1.00 0.00 N ATOM 2 CA ASN A 14 -19.163 -2.733 6.262 1.00 0.00 C ATOM 3 C ASN A 14 -18.298 -3.452 5.224 1.00 0.00 C ATOM 4 O ASN A 14 -17.712 -4.494 5.517 1.00 0.00 O ATOM 5 CB ASN A 14 -20.639 -3.112 6.085 1.00 0.00 C ATOM 6 CG ASN A 14 -21.411 -3.054 7.391 1.00 0.00 C ATOM 7 OD1 ASN A 14 -22.005 -2.030 7.727 1.00 0.00 O ATOM 8 ND2 ASN A 14 -21.404 -4.154 8.136 1.00 0.00 N ATOM 0 HA ASN A 14 -18.811 -3.050 7.244 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -21.100 -2.438 5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -20.706 -4.118 5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -21.904 -4.171 9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.898 -4.981 7.819 1.00 0.00 H new ATOM 17 N ASP A 15 -18.221 -2.893 4.015 1.00 0.00 N ATOM 18 CA ASP A 15 -17.428 -3.492 2.940 1.00 0.00 C ATOM 19 C ASP A 15 -16.109 -2.744 2.734 1.00 0.00 C ATOM 20 O ASP A 15 -16.029 -1.532 2.955 1.00 0.00 O ATOM 21 CB ASP A 15 -18.229 -3.507 1.636 1.00 0.00 C ATOM 22 CG ASP A 15 -18.782 -4.882 1.314 1.00 0.00 C ATOM 23 OD1 ASP A 15 -17.989 -5.765 0.924 1.00 0.00 O ATOM 24 OD2 ASP A 15 -20.008 -5.076 1.453 1.00 0.00 O ATOM 0 H ASP A 15 -18.697 -2.029 3.756 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.194 -4.516 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.051 -2.796 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.591 -3.174 0.817 1.00 0.00 H new ATOM 29 N HIS A 16 -15.075 -3.479 2.308 1.00 0.00 N ATOM 30 CA HIS A 16 -13.752 -2.895 2.071 1.00 0.00 C ATOM 31 C HIS A 16 -13.031 -3.602 0.919 1.00 0.00 C ATOM 32 O HIS A 16 -13.524 -4.595 0.380 1.00 0.00 O ATOM 33 CB HIS A 16 -12.901 -2.979 3.343 1.00 0.00 C ATOM 34 CG HIS A 16 -13.468 -2.218 4.503 1.00 0.00 C ATOM 35 ND1 HIS A 16 -14.093 -2.829 5.570 1.00 0.00 N ATOM 36 CD2 HIS A 16 -13.506 -0.888 4.759 1.00 0.00 C ATOM 37 CE1 HIS A 16 -14.492 -1.910 6.430 1.00 0.00 C ATOM 38 NE2 HIS A 16 -14.147 -0.725 5.962 1.00 0.00 N ATOM 0 H HIS A 16 -15.130 -4.480 2.121 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.893 -1.849 1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.791 -4.026 3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.902 -2.601 3.126 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.107 -0.103 4.134 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.012 -2.096 7.358 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.328 0.168 6.420 1.00 0.00 H new ATOM 47 N ILE A 17 -11.855 -3.085 0.551 1.00 0.00 N ATOM 48 CA ILE A 17 -11.062 -3.672 -0.532 1.00 0.00 C ATOM 49 C ILE A 17 -9.866 -4.451 0.019 1.00 0.00 C ATOM 50 O ILE A 17 -9.098 -3.938 0.835 1.00 0.00 O ATOM 51 CB ILE A 17 -10.560 -2.602 -1.533 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.670 -1.570 -0.832 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.739 -1.918 -2.213 1.00 0.00 C ATOM 54 CD1 ILE A 17 -9.219 -0.441 -1.736 1.00 0.00 C ATOM 0 H ILE A 17 -11.433 -2.264 0.985 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.724 -4.355 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.961 -3.102 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.213 -1.151 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.792 -2.074 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.370 -1.169 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.329 -2.660 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.363 -1.435 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.593 0.250 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.648 -0.849 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.091 0.089 -2.118 1.00 0.00 H new ATOM 66 N ASN A 18 -9.725 -5.697 -0.431 1.00 0.00 N ATOM 67 CA ASN A 18 -8.631 -6.568 0.013 1.00 0.00 C ATOM 68 C ASN A 18 -7.345 -6.282 -0.764 1.00 0.00 C ATOM 69 O ASN A 18 -7.304 -6.422 -1.987 1.00 0.00 O ATOM 70 CB ASN A 18 -9.016 -8.042 -0.164 1.00 0.00 C ATOM 71 CG ASN A 18 -10.281 -8.422 0.588 1.00 0.00 C ATOM 72 OD1 ASN A 18 -10.866 -7.608 1.304 1.00 0.00 O ATOM 73 ND2 ASN A 18 -10.711 -9.668 0.428 1.00 0.00 N ATOM 0 H ASN A 18 -10.356 -6.130 -1.105 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.453 -6.362 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.155 -8.250 -1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.194 -8.670 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.555 -9.982 0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.197 -10.311 -0.174 1.00 0.00 H new ATOM 80 N LEU A 19 -6.293 -5.886 -0.049 1.00 0.00 N ATOM 81 CA LEU A 19 -5.011 -5.584 -0.680 1.00 0.00 C ATOM 82 C LEU A 19 -3.883 -6.419 -0.076 1.00 0.00 C ATOM 83 O LEU A 19 -3.572 -6.294 1.110 1.00 0.00 O ATOM 84 CB LEU A 19 -4.691 -4.095 -0.534 1.00 0.00 C ATOM 85 CG LEU A 19 -5.553 -3.164 -1.389 1.00 0.00 C ATOM 86 CD1 LEU A 19 -6.110 -2.028 -0.547 1.00 0.00 C ATOM 87 CD2 LEU A 19 -4.748 -2.620 -2.559 1.00 0.00 C ATOM 0 H LEU A 19 -6.304 -5.767 0.964 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.091 -5.836 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.807 -3.814 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.644 -3.936 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.391 -3.737 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.720 -1.377 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.722 -2.437 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.287 -1.454 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.376 -1.960 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.890 -2.062 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.400 -3.448 -3.177 1.00 0.00 H new ATOM 99 N LYS A 20 -3.272 -7.267 -0.906 1.00 0.00 N ATOM 100 CA LYS A 20 -2.171 -8.123 -0.467 1.00 0.00 C ATOM 101 C LYS A 20 -0.825 -7.482 -0.810 1.00 0.00 C ATOM 102 O LYS A 20 -0.310 -7.655 -1.916 1.00 0.00 O ATOM 103 CB LYS A 20 -2.277 -9.506 -1.122 1.00 0.00 C ATOM 104 CG LYS A 20 -3.380 -10.379 -0.541 1.00 0.00 C ATOM 105 CD LYS A 20 -4.004 -11.272 -1.603 1.00 0.00 C ATOM 106 CE LYS A 20 -5.288 -11.922 -1.105 1.00 0.00 C ATOM 107 NZ LYS A 20 -5.386 -13.356 -1.505 1.00 0.00 N ATOM 0 H LYS A 20 -3.523 -7.378 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.237 -8.240 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.452 -9.379 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.323 -10.023 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.973 -10.995 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.150 -9.747 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.216 -10.683 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.293 -12.045 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.334 -11.846 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.146 -11.377 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.275 -13.757 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.369 -13.429 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.582 -13.883 -1.107 1.00 0.00 H new ATOM 121 N VAL A 21 -0.266 -6.737 0.145 1.00 0.00 N ATOM 122 CA VAL A 21 1.017 -6.065 -0.055 1.00 0.00 C ATOM 123 C VAL A 21 2.170 -6.914 0.482 1.00 0.00 C ATOM 124 O VAL A 21 2.192 -7.272 1.662 1.00 0.00 O ATOM 125 CB VAL A 21 1.046 -4.679 0.631 1.00 0.00 C ATOM 126 CG1 VAL A 21 2.309 -3.918 0.257 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.193 -3.868 0.273 1.00 0.00 C ATOM 0 H VAL A 21 -0.682 -6.584 1.064 1.00 0.00 H new ATOM 0 HA VAL A 21 1.138 -5.928 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 21 1.048 -4.838 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.308 -2.946 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.183 -4.486 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.342 -3.776 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.148 -2.898 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.234 -3.723 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.085 -4.402 0.601 1.00 0.00 H new ATOM 137 N ALA A 22 3.125 -7.234 -0.394 1.00 0.00 N ATOM 138 CA ALA A 22 4.282 -8.041 -0.014 1.00 0.00 C ATOM 139 C ALA A 22 5.463 -7.161 0.388 1.00 0.00 C ATOM 140 O ALA A 22 5.911 -6.314 -0.388 1.00 0.00 O ATOM 141 CB ALA A 22 4.676 -8.969 -1.155 1.00 0.00 C ATOM 0 H ALA A 22 3.118 -6.945 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 22 4.003 -8.643 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.539 -9.564 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.842 -9.631 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.929 -8.377 -2.035 1.00 0.00 H new ATOM 147 N GLY A 23 5.962 -7.370 1.606 1.00 0.00 N ATOM 148 CA GLY A 23 7.086 -6.593 2.102 1.00 0.00 C ATOM 149 C GLY A 23 8.428 -7.143 1.650 1.00 0.00 C ATOM 150 O GLY A 23 8.581 -8.353 1.474 1.00 0.00 O ATOM 0 H GLY A 23 5.605 -8.067 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.988 -5.562 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.055 -6.573 3.191 1.00 0.00 H new ATOM 154 N GLN A 24 9.404 -6.250 1.470 1.00 0.00 N ATOM 155 CA GLN A 24 10.749 -6.646 1.041 1.00 0.00 C ATOM 156 C GLN A 24 11.360 -7.668 2.004 1.00 0.00 C ATOM 157 O GLN A 24 12.047 -8.595 1.577 1.00 0.00 O ATOM 158 CB GLN A 24 11.666 -5.422 0.937 1.00 0.00 C ATOM 159 CG GLN A 24 12.607 -5.467 -0.256 1.00 0.00 C ATOM 160 CD GLN A 24 13.766 -4.494 -0.126 1.00 0.00 C ATOM 161 OE1 GLN A 24 14.527 -4.543 0.840 1.00 0.00 O ATOM 162 NE2 GLN A 24 13.907 -3.603 -1.102 1.00 0.00 N ATOM 0 H GLN A 24 9.289 -5.247 1.615 1.00 0.00 H new ATOM 0 HA GLN A 24 10.657 -7.108 0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.053 -4.523 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.255 -5.341 1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.998 -6.478 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.048 -5.240 -1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.254 -3.597 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.669 -2.925 -1.068 1.00 0.00 H new ATOM 171 N ASP A 25 11.102 -7.491 3.302 1.00 0.00 N ATOM 172 CA ASP A 25 11.624 -8.399 4.327 1.00 0.00 C ATOM 173 C ASP A 25 11.129 -9.832 4.111 1.00 0.00 C ATOM 174 O ASP A 25 11.804 -10.792 4.491 1.00 0.00 O ATOM 175 CB ASP A 25 11.212 -7.915 5.724 1.00 0.00 C ATOM 176 CG ASP A 25 12.218 -6.954 6.334 1.00 0.00 C ATOM 177 OD1 ASP A 25 12.615 -5.989 5.645 1.00 0.00 O ATOM 178 OD2 ASP A 25 12.604 -7.164 7.503 1.00 0.00 O ATOM 0 H ASP A 25 10.534 -6.727 3.669 1.00 0.00 H new ATOM 0 HA ASP A 25 12.711 -8.398 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.240 -7.425 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.094 -8.776 6.382 1.00 0.00 H new ATOM 183 N GLY A 26 9.948 -9.968 3.504 1.00 0.00 N ATOM 184 CA GLY A 26 9.377 -11.282 3.252 1.00 0.00 C ATOM 185 C GLY A 26 8.136 -11.550 4.089 1.00 0.00 C ATOM 186 O GLY A 26 7.870 -12.694 4.462 1.00 0.00 O ATOM 0 H GLY A 26 9.376 -9.187 3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.124 -11.367 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.125 -12.046 3.463 1.00 0.00 H new ATOM 190 N SER A 27 7.375 -10.494 4.382 1.00 0.00 N ATOM 191 CA SER A 27 6.157 -10.617 5.178 1.00 0.00 C ATOM 192 C SER A 27 4.920 -10.363 4.321 1.00 0.00 C ATOM 193 O SER A 27 4.943 -9.530 3.411 1.00 0.00 O ATOM 194 CB SER A 27 6.189 -9.636 6.353 1.00 0.00 C ATOM 195 OG SER A 27 7.151 -10.026 7.318 1.00 0.00 O ATOM 0 H SER A 27 7.583 -9.543 4.078 1.00 0.00 H new ATOM 0 HA SER A 27 6.106 -11.635 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.420 -8.635 5.989 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.204 -9.587 6.817 1.00 0.00 H new ATOM 0 HG SER A 27 7.153 -9.382 8.057 1.00 0.00 H new ATOM 201 N VAL A 28 3.840 -11.087 4.619 1.00 0.00 N ATOM 202 CA VAL A 28 2.588 -10.945 3.880 1.00 0.00 C ATOM 203 C VAL A 28 1.495 -10.329 4.757 1.00 0.00 C ATOM 204 O VAL A 28 1.094 -10.909 5.769 1.00 0.00 O ATOM 205 CB VAL A 28 2.105 -12.305 3.317 1.00 0.00 C ATOM 206 CG1 VAL A 28 1.821 -13.300 4.438 1.00 0.00 C ATOM 207 CG2 VAL A 28 0.876 -12.112 2.439 1.00 0.00 C ATOM 0 H VAL A 28 3.809 -11.778 5.368 1.00 0.00 H new ATOM 0 HA VAL A 28 2.785 -10.275 3.043 1.00 0.00 H new ATOM 0 HB VAL A 28 2.906 -12.719 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.484 -14.244 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.730 -13.467 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.045 -12.900 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.550 -13.077 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.074 -11.668 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.123 -11.452 1.607 1.00 0.00 H new ATOM 217 N VAL A 29 1.022 -9.148 4.361 1.00 0.00 N ATOM 218 CA VAL A 29 -0.019 -8.446 5.106 1.00 0.00 C ATOM 219 C VAL A 29 -1.184 -8.068 4.192 1.00 0.00 C ATOM 220 O VAL A 29 -0.978 -7.534 3.099 1.00 0.00 O ATOM 221 CB VAL A 29 0.529 -7.166 5.771 1.00 0.00 C ATOM 222 CG1 VAL A 29 -0.508 -6.554 6.703 1.00 0.00 C ATOM 223 CG2 VAL A 29 1.824 -7.457 6.520 1.00 0.00 C ATOM 0 H VAL A 29 1.345 -8.658 3.527 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.369 -9.128 5.881 1.00 0.00 H new ATOM 0 HB VAL A 29 0.747 -6.443 4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.099 -5.653 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.402 -6.299 6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.766 -7.272 7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.192 -6.540 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.637 -8.202 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.570 -7.837 5.822 1.00 0.00 H new ATOM 233 N GLN A 30 -2.405 -8.342 4.649 1.00 0.00 N ATOM 234 CA GLN A 30 -3.605 -8.027 3.875 1.00 0.00 C ATOM 235 C GLN A 30 -4.487 -7.020 4.616 1.00 0.00 C ATOM 236 O GLN A 30 -5.145 -7.361 5.601 1.00 0.00 O ATOM 237 CB GLN A 30 -4.400 -9.302 3.565 1.00 0.00 C ATOM 238 CG GLN A 30 -4.713 -10.151 4.788 1.00 0.00 C ATOM 239 CD GLN A 30 -5.246 -11.524 4.425 1.00 0.00 C ATOM 240 OE1 GLN A 30 -6.456 -11.731 4.348 1.00 0.00 O ATOM 241 NE2 GLN A 30 -4.343 -12.473 4.201 1.00 0.00 N ATOM 0 H GLN A 30 -2.589 -8.781 5.551 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.287 -7.577 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.336 -9.025 3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.837 -9.904 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.810 -10.263 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.445 -9.633 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.349 -12.259 4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.644 -13.416 3.954 1.00 0.00 H new ATOM 250 N PHE A 31 -4.494 -5.777 4.133 1.00 0.00 N ATOM 251 CA PHE A 31 -5.294 -4.716 4.744 1.00 0.00 C ATOM 252 C PHE A 31 -6.615 -4.523 3.999 1.00 0.00 C ATOM 253 O PHE A 31 -6.726 -4.853 2.816 1.00 0.00 O ATOM 254 CB PHE A 31 -4.507 -3.401 4.762 1.00 0.00 C ATOM 255 CG PHE A 31 -3.828 -3.120 6.074 1.00 0.00 C ATOM 256 CD1 PHE A 31 -4.514 -2.494 7.104 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.504 -3.478 6.278 1.00 0.00 C ATOM 258 CE1 PHE A 31 -3.893 -2.232 8.311 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.878 -3.218 7.482 1.00 0.00 C ATOM 260 CZ PHE A 31 -2.573 -2.594 8.500 1.00 0.00 C ATOM 0 H PHE A 31 -3.954 -5.481 3.320 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.519 -5.013 5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.756 -3.427 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.185 -2.579 4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.546 -2.208 6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.955 -3.966 5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.439 -1.745 9.105 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.846 -3.502 7.627 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.085 -2.390 9.442 1.00 0.00 H new ATOM 270 N LYS A 32 -7.615 -3.987 4.703 1.00 0.00 N ATOM 271 CA LYS A 32 -8.932 -3.748 4.116 1.00 0.00 C ATOM 272 C LYS A 32 -9.422 -2.335 4.428 1.00 0.00 C ATOM 273 O LYS A 32 -9.694 -2.005 5.584 1.00 0.00 O ATOM 274 CB LYS A 32 -9.936 -4.779 4.639 1.00 0.00 C ATOM 275 CG LYS A 32 -9.560 -6.215 4.303 1.00 0.00 C ATOM 276 CD LYS A 32 -10.788 -7.102 4.176 1.00 0.00 C ATOM 277 CE LYS A 32 -11.430 -7.371 5.529 1.00 0.00 C ATOM 278 NZ LYS A 32 -11.034 -8.697 6.087 1.00 0.00 N ATOM 0 H LYS A 32 -7.536 -3.711 5.682 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.846 -3.849 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.020 -4.677 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.919 -4.562 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.998 -6.235 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.904 -6.610 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.514 -6.626 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.508 -8.047 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.144 -6.585 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.515 -7.330 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.495 -8.837 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.329 -9.451 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.002 -8.729 6.208 1.00 0.00 H new ATOM 292 N ILE A 33 -9.529 -1.505 3.389 1.00 0.00 N ATOM 293 CA ILE A 33 -9.983 -0.122 3.546 1.00 0.00 C ATOM 294 C ILE A 33 -11.110 0.211 2.565 1.00 0.00 C ATOM 295 O ILE A 33 -11.508 -0.629 1.756 1.00 0.00 O ATOM 296 CB ILE A 33 -8.819 0.880 3.351 1.00 0.00 C ATOM 297 CG1 ILE A 33 -8.184 0.713 1.965 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.774 0.697 4.445 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.180 1.794 1.623 1.00 0.00 C ATOM 0 H ILE A 33 -9.307 -1.767 2.428 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.362 -0.029 4.564 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.220 1.891 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.691 -0.258 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.972 0.709 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.962 1.408 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.232 0.870 5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.379 -0.318 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.772 1.611 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.672 2.766 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.372 1.784 2.354 1.00 0.00 H new ATOM 311 N LYS A 34 -11.622 1.442 2.642 1.00 0.00 N ATOM 312 CA LYS A 34 -12.704 1.883 1.758 1.00 0.00 C ATOM 313 C LYS A 34 -12.159 2.293 0.390 1.00 0.00 C ATOM 314 O LYS A 34 -11.041 2.802 0.284 1.00 0.00 O ATOM 315 CB LYS A 34 -13.480 3.050 2.384 1.00 0.00 C ATOM 316 CG LYS A 34 -12.595 4.179 2.896 1.00 0.00 C ATOM 317 CD LYS A 34 -13.303 5.524 2.821 1.00 0.00 C ATOM 318 CE LYS A 34 -12.924 6.418 3.993 1.00 0.00 C ATOM 319 NZ LYS A 34 -14.097 7.156 4.541 1.00 0.00 N ATOM 0 H LYS A 34 -11.306 2.149 3.305 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.385 1.043 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.172 3.452 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.082 2.671 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.306 3.976 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.677 4.217 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.046 6.020 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.382 5.369 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.478 5.811 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.165 7.132 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.791 7.752 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.508 7.756 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.811 6.476 4.872 1.00 0.00 H new ATOM 333 N ARG A 35 -12.956 2.068 -0.655 1.00 0.00 N ATOM 334 CA ARG A 35 -12.557 2.410 -2.019 1.00 0.00 C ATOM 335 C ARG A 35 -12.958 3.848 -2.371 1.00 0.00 C ATOM 336 O ARG A 35 -13.639 4.090 -3.371 1.00 0.00 O ATOM 337 CB ARG A 35 -13.177 1.414 -3.008 1.00 0.00 C ATOM 338 CG ARG A 35 -12.755 1.633 -4.455 1.00 0.00 C ATOM 339 CD ARG A 35 -13.948 1.578 -5.398 1.00 0.00 C ATOM 340 NE ARG A 35 -14.442 0.213 -5.589 1.00 0.00 N ATOM 341 CZ ARG A 35 -15.671 -0.082 -6.023 1.00 0.00 C ATOM 342 NH1 ARG A 35 -16.529 0.888 -6.328 1.00 0.00 N ATOM 343 NH2 ARG A 35 -16.041 -1.352 -6.157 1.00 0.00 N ATOM 0 H ARG A 35 -13.883 1.650 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.471 2.347 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.902 0.402 -2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.263 1.481 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.260 2.600 -4.549 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.028 0.874 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.750 2.200 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.665 1.998 -6.363 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.810 -0.559 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.250 1.864 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.465 0.655 -6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.387 -2.101 -5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.979 -1.578 -6.488 1.00 0.00 H new ATOM 357 N HIS A 36 -12.523 4.800 -1.542 1.00 0.00 N ATOM 358 CA HIS A 36 -12.824 6.218 -1.759 1.00 0.00 C ATOM 359 C HIS A 36 -11.835 7.116 -0.999 1.00 0.00 C ATOM 360 O HIS A 36 -12.207 8.183 -0.503 1.00 0.00 O ATOM 361 CB HIS A 36 -14.265 6.532 -1.324 1.00 0.00 C ATOM 362 CG HIS A 36 -15.285 6.335 -2.406 1.00 0.00 C ATOM 363 ND1 HIS A 36 -16.525 5.775 -2.179 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.246 6.631 -3.728 1.00 0.00 C ATOM 365 CE1 HIS A 36 -17.203 5.734 -3.313 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.449 6.248 -4.266 1.00 0.00 N ATOM 0 H HIS A 36 -11.960 4.614 -0.712 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.722 6.424 -2.825 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.524 5.899 -0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.312 7.564 -0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.422 7.084 -4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -18.203 5.346 -3.438 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.717 6.345 -5.245 1.00 0.00 H new ATOM 375 N THR A 37 -10.573 6.680 -0.910 1.00 0.00 N ATOM 376 CA THR A 37 -9.535 7.442 -0.211 1.00 0.00 C ATOM 377 C THR A 37 -8.148 7.122 -0.774 1.00 0.00 C ATOM 378 O THR A 37 -7.882 5.985 -1.170 1.00 0.00 O ATOM 379 CB THR A 37 -9.562 7.149 1.298 1.00 0.00 C ATOM 380 OG1 THR A 37 -10.100 5.862 1.570 1.00 0.00 O ATOM 381 CG2 THR A 37 -10.364 8.160 2.088 1.00 0.00 C ATOM 0 H THR A 37 -10.247 5.802 -1.314 1.00 0.00 H new ATOM 0 HA THR A 37 -9.742 8.500 -0.368 1.00 0.00 H new ATOM 0 HB THR A 37 -8.520 7.204 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.102 5.706 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.343 7.895 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.933 9.152 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.395 8.162 1.735 1.00 0.00 H new ATOM 389 N PRO A 38 -7.244 8.126 -0.817 1.00 0.00 N ATOM 390 CA PRO A 38 -5.877 7.950 -1.336 1.00 0.00 C ATOM 391 C PRO A 38 -5.111 6.836 -0.622 1.00 0.00 C ATOM 392 O PRO A 38 -5.449 6.459 0.503 1.00 0.00 O ATOM 393 CB PRO A 38 -5.210 9.306 -1.071 1.00 0.00 C ATOM 394 CG PRO A 38 -6.336 10.275 -0.970 1.00 0.00 C ATOM 395 CD PRO A 38 -7.484 9.513 -0.370 1.00 0.00 C ATOM 0 HA PRO A 38 -5.885 7.659 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.624 9.285 -0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.529 9.575 -1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.064 11.126 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.600 10.670 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.492 9.589 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.444 9.889 -0.723 1.00 0.00 H new ATOM 403 N LEU A 39 -4.074 6.316 -1.285 1.00 0.00 N ATOM 404 CA LEU A 39 -3.254 5.243 -0.714 1.00 0.00 C ATOM 405 C LEU A 39 -2.641 5.649 0.629 1.00 0.00 C ATOM 406 O LEU A 39 -2.312 4.786 1.441 1.00 0.00 O ATOM 407 CB LEU A 39 -2.147 4.825 -1.687 1.00 0.00 C ATOM 408 CG LEU A 39 -2.514 3.677 -2.632 1.00 0.00 C ATOM 409 CD1 LEU A 39 -1.378 3.407 -3.606 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.855 2.418 -1.842 1.00 0.00 C ATOM 0 H LEU A 39 -3.783 6.619 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.915 4.394 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.864 5.691 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.269 4.534 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.395 3.970 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.655 2.588 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.184 4.303 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.480 3.136 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.113 1.614 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.994 2.120 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.702 2.619 -1.186 1.00 0.00 H new ATOM 422 N SER A 40 -2.495 6.960 0.859 1.00 0.00 N ATOM 423 CA SER A 40 -1.931 7.470 2.113 1.00 0.00 C ATOM 424 C SER A 40 -2.578 6.799 3.329 1.00 0.00 C ATOM 425 O SER A 40 -1.913 6.560 4.338 1.00 0.00 O ATOM 426 CB SER A 40 -2.119 8.986 2.202 1.00 0.00 C ATOM 427 OG SER A 40 -1.275 9.550 3.191 1.00 0.00 O ATOM 0 H SER A 40 -2.760 7.686 0.193 1.00 0.00 H new ATOM 0 HA SER A 40 -0.867 7.235 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.903 9.439 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.159 9.213 2.435 1.00 0.00 H new ATOM 0 HG SER A 40 -1.414 10.519 3.226 1.00 0.00 H new ATOM 433 N LYS A 41 -3.877 6.494 3.225 1.00 0.00 N ATOM 434 CA LYS A 41 -4.606 5.847 4.317 1.00 0.00 C ATOM 435 C LYS A 41 -3.987 4.490 4.660 1.00 0.00 C ATOM 436 O LYS A 41 -3.579 4.257 5.798 1.00 0.00 O ATOM 437 CB LYS A 41 -6.087 5.667 3.950 1.00 0.00 C ATOM 438 CG LYS A 41 -6.832 6.974 3.699 1.00 0.00 C ATOM 439 CD LYS A 41 -6.727 7.930 4.881 1.00 0.00 C ATOM 440 CE LYS A 41 -7.310 7.326 6.152 1.00 0.00 C ATOM 441 NZ LYS A 41 -8.027 8.338 6.981 1.00 0.00 N ATOM 0 H LYS A 41 -4.442 6.685 2.397 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.535 6.493 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.156 5.045 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.586 5.126 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.429 7.455 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.882 6.760 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.681 8.188 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.250 8.857 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.998 6.523 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.509 6.879 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.406 7.881 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.366 9.092 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.809 8.747 6.430 1.00 0.00 H new ATOM 455 N LEU A 42 -3.914 3.602 3.667 1.00 0.00 N ATOM 456 CA LEU A 42 -3.337 2.273 3.868 1.00 0.00 C ATOM 457 C LEU A 42 -1.822 2.352 4.049 1.00 0.00 C ATOM 458 O LEU A 42 -1.248 1.601 4.837 1.00 0.00 O ATOM 459 CB LEU A 42 -3.674 1.356 2.688 1.00 0.00 C ATOM 460 CG LEU A 42 -3.417 -0.135 2.931 1.00 0.00 C ATOM 461 CD1 LEU A 42 -4.521 -0.978 2.311 1.00 0.00 C ATOM 462 CD2 LEU A 42 -2.056 -0.544 2.381 1.00 0.00 C ATOM 0 H LEU A 42 -4.246 3.779 2.719 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.771 1.856 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.725 1.491 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.091 1.673 1.823 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.417 -0.310 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.320 -2.033 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.479 -0.708 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.557 -0.797 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.894 -1.606 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.024 -0.352 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.275 0.033 2.876 1.00 0.00 H new ATOM 474 N MET A 43 -1.180 3.264 3.316 1.00 0.00 N ATOM 475 CA MET A 43 0.270 3.435 3.397 1.00 0.00 C ATOM 476 C MET A 43 0.709 3.768 4.821 1.00 0.00 C ATOM 477 O MET A 43 1.621 3.136 5.355 1.00 0.00 O ATOM 478 CB MET A 43 0.743 4.529 2.434 1.00 0.00 C ATOM 479 CG MET A 43 1.753 4.040 1.408 1.00 0.00 C ATOM 480 SD MET A 43 3.433 3.981 2.060 1.00 0.00 S ATOM 481 CE MET A 43 3.491 2.310 2.700 1.00 0.00 C ATOM 0 H MET A 43 -1.642 3.894 2.661 1.00 0.00 H new ATOM 0 HA MET A 43 0.729 2.489 3.108 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.121 4.942 1.913 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.186 5.342 3.010 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.465 3.046 1.066 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.728 4.696 0.538 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.727 2.336 3.764 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.523 1.831 2.554 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.259 1.745 2.172 1.00 0.00 H new ATOM 491 N LYS A 44 0.055 4.755 5.437 1.00 0.00 N ATOM 492 CA LYS A 44 0.388 5.150 6.805 1.00 0.00 C ATOM 493 C LYS A 44 0.136 3.995 7.775 1.00 0.00 C ATOM 494 O LYS A 44 0.996 3.668 8.592 1.00 0.00 O ATOM 495 CB LYS A 44 -0.420 6.382 7.228 1.00 0.00 C ATOM 496 CG LYS A 44 0.351 7.688 7.096 1.00 0.00 C ATOM 497 CD LYS A 44 -0.579 8.890 7.049 1.00 0.00 C ATOM 498 CE LYS A 44 0.093 10.131 7.616 1.00 0.00 C ATOM 499 NZ LYS A 44 -0.444 11.384 7.014 1.00 0.00 N ATOM 0 H LYS A 44 -0.702 5.291 5.013 1.00 0.00 H new ATOM 0 HA LYS A 44 1.447 5.405 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.324 6.440 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.738 6.260 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.037 7.792 7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.958 7.662 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.883 9.077 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.485 8.674 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.050 10.158 8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.167 10.075 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.042 12.205 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.285 11.371 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.464 11.452 7.206 1.00 0.00 H new ATOM 513 N ALA A 45 -1.044 3.376 7.672 1.00 0.00 N ATOM 514 CA ALA A 45 -1.405 2.250 8.537 1.00 0.00 C ATOM 515 C ALA A 45 -0.443 1.073 8.356 1.00 0.00 C ATOM 516 O ALA A 45 -0.065 0.417 9.327 1.00 0.00 O ATOM 517 CB ALA A 45 -2.837 1.808 8.261 1.00 0.00 C ATOM 0 H ALA A 45 -1.765 3.636 6.999 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.330 2.587 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.091 0.971 8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.517 2.637 8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.928 1.499 7.220 1.00 0.00 H new ATOM 523 N TYR A 46 -0.053 0.814 7.107 1.00 0.00 N ATOM 524 CA TYR A 46 0.866 -0.280 6.788 1.00 0.00 C ATOM 525 C TYR A 46 2.277 0.022 7.298 1.00 0.00 C ATOM 526 O TYR A 46 2.925 -0.840 7.896 1.00 0.00 O ATOM 527 CB TYR A 46 0.896 -0.515 5.272 1.00 0.00 C ATOM 528 CG TYR A 46 1.553 -1.815 4.849 1.00 0.00 C ATOM 529 CD1 TYR A 46 2.937 -1.945 4.834 1.00 0.00 C ATOM 530 CD2 TYR A 46 0.789 -2.906 4.450 1.00 0.00 C ATOM 531 CE1 TYR A 46 3.539 -3.124 4.438 1.00 0.00 C ATOM 532 CE2 TYR A 46 1.384 -4.087 4.050 1.00 0.00 C ATOM 533 CZ TYR A 46 2.759 -4.191 4.046 1.00 0.00 C ATOM 534 OH TYR A 46 3.360 -5.364 3.645 1.00 0.00 O ATOM 0 H TYR A 46 -0.361 1.350 6.296 1.00 0.00 H new ATOM 0 HA TYR A 46 0.509 -1.182 7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.126 -0.500 4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.423 0.314 4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.552 -1.110 5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.288 -2.829 4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.616 -3.209 4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.775 -4.924 3.742 1.00 0.00 H new ATOM 0 HH TYR A 46 2.778 -5.828 3.007 1.00 0.00 H new ATOM 544 N SER A 47 2.749 1.247 7.055 1.00 0.00 N ATOM 545 CA SER A 47 4.087 1.658 7.485 1.00 0.00 C ATOM 546 C SER A 47 4.178 1.760 9.008 1.00 0.00 C ATOM 547 O SER A 47 5.121 1.245 9.612 1.00 0.00 O ATOM 548 CB SER A 47 4.471 3.000 6.850 1.00 0.00 C ATOM 549 OG SER A 47 5.879 3.175 6.834 1.00 0.00 O ATOM 0 H SER A 47 2.225 1.971 6.563 1.00 0.00 H new ATOM 0 HA SER A 47 4.787 0.892 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.084 3.048 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.007 3.815 7.406 1.00 0.00 H new ATOM 0 HG SER A 47 6.097 4.037 6.423 1.00 0.00 H new ATOM 555 N GLU A 48 3.194 2.423 9.622 1.00 0.00 N ATOM 556 CA GLU A 48 3.164 2.588 11.078 1.00 0.00 C ATOM 557 C GLU A 48 3.129 1.232 11.782 1.00 0.00 C ATOM 558 O GLU A 48 3.799 1.035 12.797 1.00 0.00 O ATOM 559 CB GLU A 48 1.954 3.431 11.502 1.00 0.00 C ATOM 560 CG GLU A 48 2.141 4.925 11.266 1.00 0.00 C ATOM 561 CD GLU A 48 0.840 5.711 11.323 1.00 0.00 C ATOM 562 OE1 GLU A 48 -0.197 5.192 10.856 1.00 0.00 O ATOM 563 OE2 GLU A 48 0.862 6.852 11.831 1.00 0.00 O ATOM 0 H GLU A 48 2.409 2.854 9.134 1.00 0.00 H new ATOM 0 HA GLU A 48 4.076 3.107 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.075 3.092 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.755 3.260 12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.829 5.320 12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.606 5.076 10.292 1.00 0.00 H new ATOM 570 N ARG A 49 2.349 0.300 11.233 1.00 0.00 N ATOM 571 CA ARG A 49 2.233 -1.040 11.801 1.00 0.00 C ATOM 572 C ARG A 49 3.555 -1.804 11.683 1.00 0.00 C ATOM 573 O ARG A 49 3.941 -2.527 12.601 1.00 0.00 O ATOM 574 CB ARG A 49 1.116 -1.816 11.098 1.00 0.00 C ATOM 575 CG ARG A 49 0.671 -3.060 11.848 1.00 0.00 C ATOM 576 CD ARG A 49 -0.598 -2.807 12.648 1.00 0.00 C ATOM 577 NE ARG A 49 -0.626 -3.575 13.895 1.00 0.00 N ATOM 578 CZ ARG A 49 -1.471 -3.337 14.904 1.00 0.00 C ATOM 579 NH1 ARG A 49 -2.369 -2.358 14.819 1.00 0.00 N ATOM 580 NH2 ARG A 49 -1.419 -4.084 16.002 1.00 0.00 N ATOM 0 H ARG A 49 1.788 0.451 10.394 1.00 0.00 H new ATOM 0 HA ARG A 49 1.989 -0.939 12.859 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.258 -1.158 10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.456 -2.104 10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.500 -3.871 11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.466 -3.385 12.519 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.676 -1.744 12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.466 -3.068 12.042 1.00 0.00 H new ATOM 0 HE ARG A 49 0.041 -4.339 14.000 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.417 -1.782 13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.009 -2.184 15.594 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.735 -4.838 16.074 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.063 -3.904 16.772 1.00 0.00 H new ATOM 594 N GLN A 50 4.240 -1.640 10.550 1.00 0.00 N ATOM 595 CA GLN A 50 5.515 -2.317 10.317 1.00 0.00 C ATOM 596 C GLN A 50 6.623 -1.733 11.196 1.00 0.00 C ATOM 597 O GLN A 50 7.147 -2.415 12.077 1.00 0.00 O ATOM 598 CB GLN A 50 5.910 -2.219 8.840 1.00 0.00 C ATOM 599 CG GLN A 50 6.482 -3.510 8.277 1.00 0.00 C ATOM 600 CD GLN A 50 7.508 -3.268 7.186 1.00 0.00 C ATOM 601 OE1 GLN A 50 8.678 -3.007 7.466 1.00 0.00 O ATOM 602 NE2 GLN A 50 7.075 -3.351 5.932 1.00 0.00 N ATOM 0 H GLN A 50 3.933 -1.045 9.781 1.00 0.00 H new ATOM 0 HA GLN A 50 5.388 -3.366 10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.035 -1.934 8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.645 -1.423 8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.943 -4.081 9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.671 -4.119 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.097 -3.570 5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.721 -3.196 5.158 1.00 0.00 H new ATOM 611 N GLY A 51 6.978 -0.471 10.946 1.00 0.00 N ATOM 612 CA GLY A 51 8.024 0.179 11.718 1.00 0.00 C ATOM 613 C GLY A 51 9.000 0.937 10.840 1.00 0.00 C ATOM 614 O GLY A 51 10.215 0.828 11.015 1.00 0.00 O ATOM 0 H GLY A 51 6.558 0.111 10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.571 0.867 12.432 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.565 -0.570 12.296 1.00 0.00 H new ATOM 618 N LEU A 52 8.467 1.707 9.892 1.00 0.00 N ATOM 619 CA LEU A 52 9.294 2.487 8.980 1.00 0.00 C ATOM 620 C LEU A 52 8.980 3.978 9.123 1.00 0.00 C ATOM 621 O LEU A 52 8.521 4.423 10.178 1.00 0.00 O ATOM 622 CB LEU A 52 9.074 2.024 7.532 1.00 0.00 C ATOM 623 CG LEU A 52 9.004 0.508 7.325 1.00 0.00 C ATOM 624 CD1 LEU A 52 8.698 0.185 5.870 1.00 0.00 C ATOM 625 CD2 LEU A 52 10.305 -0.155 7.759 1.00 0.00 C ATOM 0 H LEU A 52 7.464 1.806 9.738 1.00 0.00 H new ATOM 0 HA LEU A 52 10.342 2.330 9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.148 2.466 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.882 2.420 6.916 1.00 0.00 H new ATOM 0 HG LEU A 52 8.198 0.113 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.652 -0.896 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.740 0.625 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.483 0.594 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.234 -1.232 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.131 0.243 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.482 0.048 8.815 1.00 0.00 H new ATOM 637 N SER A 53 9.231 4.746 8.064 1.00 0.00 N ATOM 638 CA SER A 53 8.977 6.187 8.078 1.00 0.00 C ATOM 639 C SER A 53 8.118 6.605 6.886 1.00 0.00 C ATOM 640 O SER A 53 7.950 5.844 5.932 1.00 0.00 O ATOM 641 CB SER A 53 10.301 6.962 8.061 1.00 0.00 C ATOM 642 OG SER A 53 11.341 6.229 8.688 1.00 0.00 O ATOM 0 H SER A 53 9.610 4.395 7.185 1.00 0.00 H new ATOM 0 HA SER A 53 8.435 6.423 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.581 7.184 7.031 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.171 7.918 8.569 1.00 0.00 H new ATOM 0 HG SER A 53 12.171 6.749 8.659 1.00 0.00 H new ATOM 648 N MET A 54 7.583 7.825 6.944 1.00 0.00 N ATOM 649 CA MET A 54 6.747 8.348 5.863 1.00 0.00 C ATOM 650 C MET A 54 7.566 9.208 4.893 1.00 0.00 C ATOM 651 O MET A 54 7.023 10.092 4.228 1.00 0.00 O ATOM 652 CB MET A 54 5.584 9.168 6.432 1.00 0.00 C ATOM 653 CG MET A 54 4.899 8.514 7.622 1.00 0.00 C ATOM 654 SD MET A 54 5.336 9.296 9.187 1.00 0.00 S ATOM 655 CE MET A 54 3.831 9.049 10.125 1.00 0.00 C ATOM 0 H MET A 54 7.713 8.468 7.725 1.00 0.00 H new ATOM 0 HA MET A 54 6.347 7.496 5.312 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.955 10.148 6.731 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.848 9.332 5.645 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.819 8.561 7.486 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.171 7.459 7.659 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.947 9.480 11.119 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.000 9.534 9.614 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.629 7.982 10.214 1.00 0.00 H new ATOM 665 N ARG A 55 8.872 8.942 4.814 1.00 0.00 N ATOM 666 CA ARG A 55 9.757 9.690 3.922 1.00 0.00 C ATOM 667 C ARG A 55 10.702 8.763 3.142 1.00 0.00 C ATOM 668 O ARG A 55 11.616 9.238 2.466 1.00 0.00 O ATOM 669 CB ARG A 55 10.569 10.716 4.723 1.00 0.00 C ATOM 670 CG ARG A 55 9.917 12.089 4.792 1.00 0.00 C ATOM 671 CD ARG A 55 10.257 12.805 6.090 1.00 0.00 C ATOM 672 NE ARG A 55 9.844 14.208 6.067 1.00 0.00 N ATOM 673 CZ ARG A 55 10.235 15.117 6.963 1.00 0.00 C ATOM 674 NH1 ARG A 55 11.045 14.776 7.962 1.00 0.00 N ATOM 675 NH2 ARG A 55 9.813 16.373 6.859 1.00 0.00 N ATOM 0 H ARG A 55 9.338 8.215 5.357 1.00 0.00 H new ATOM 0 HA ARG A 55 9.130 10.208 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.714 10.341 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.558 10.815 4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.247 12.692 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.835 11.984 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.770 12.297 6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.331 12.746 6.266 1.00 0.00 H new ATOM 0 HE ARG A 55 9.219 14.510 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.372 13.814 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.339 15.477 8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.192 16.641 6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.110 17.069 7.543 1.00 0.00 H new ATOM 689 N GLN A 56 10.464 7.445 3.216 1.00 0.00 N ATOM 690 CA GLN A 56 11.277 6.466 2.502 1.00 0.00 C ATOM 691 C GLN A 56 10.488 5.174 2.323 1.00 0.00 C ATOM 692 O GLN A 56 10.708 4.190 3.032 1.00 0.00 O ATOM 693 CB GLN A 56 12.574 6.170 3.270 1.00 0.00 C ATOM 694 CG GLN A 56 13.654 7.228 3.095 1.00 0.00 C ATOM 695 CD GLN A 56 14.067 7.880 4.406 1.00 0.00 C ATOM 696 OE1 GLN A 56 15.249 8.136 4.632 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.099 8.158 5.277 1.00 0.00 N ATOM 0 H GLN A 56 9.709 7.037 3.768 1.00 0.00 H new ATOM 0 HA GLN A 56 11.535 6.879 1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.342 6.075 4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.967 5.208 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.529 6.773 2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.294 7.997 2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.130 7.930 5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.326 8.599 6.168 1.00 0.00 H new ATOM 706 N ILE A 57 9.575 5.190 1.360 1.00 0.00 N ATOM 707 CA ILE A 57 8.738 4.027 1.062 1.00 0.00 C ATOM 708 C ILE A 57 8.464 3.925 -0.439 1.00 0.00 C ATOM 709 O ILE A 57 8.500 4.928 -1.154 1.00 0.00 O ATOM 710 CB ILE A 57 7.384 4.083 1.811 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.570 4.525 3.269 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.684 2.732 1.755 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.239 3.485 4.146 1.00 0.00 C ATOM 0 H ILE A 57 9.392 5.999 0.767 1.00 0.00 H new ATOM 0 HA ILE A 57 9.291 3.150 1.400 1.00 0.00 H new ATOM 0 HB ILE A 57 6.760 4.823 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.164 5.439 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.595 4.769 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.734 2.792 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.501 2.460 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.315 1.976 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.335 3.872 5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.636 2.577 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.229 3.257 3.750 1.00 0.00 H new ATOM 725 N ARG A 58 8.179 2.710 -0.906 1.00 0.00 N ATOM 726 CA ARG A 58 7.890 2.477 -2.321 1.00 0.00 C ATOM 727 C ARG A 58 6.833 1.389 -2.496 1.00 0.00 C ATOM 728 O ARG A 58 7.057 0.231 -2.137 1.00 0.00 O ATOM 729 CB ARG A 58 9.163 2.081 -3.074 1.00 0.00 C ATOM 730 CG ARG A 58 9.059 2.252 -4.583 1.00 0.00 C ATOM 731 CD ARG A 58 10.354 2.792 -5.171 1.00 0.00 C ATOM 732 NE ARG A 58 10.383 2.703 -6.633 1.00 0.00 N ATOM 733 CZ ARG A 58 11.482 2.898 -7.370 1.00 0.00 C ATOM 734 NH1 ARG A 58 12.645 3.177 -6.787 1.00 0.00 N ATOM 735 NH2 ARG A 58 11.419 2.808 -8.695 1.00 0.00 N ATOM 0 H ARG A 58 8.142 1.872 -0.326 1.00 0.00 H new ATOM 0 HA ARG A 58 7.504 3.408 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.994 2.682 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.398 1.040 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.820 1.293 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.240 2.931 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.480 3.832 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.196 2.236 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 58 9.514 2.479 -7.117 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.703 3.244 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.478 3.324 -7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.532 2.590 -9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.257 2.957 -9.257 1.00 0.00 H new ATOM 749 N PHE A 59 5.687 1.765 -3.063 1.00 0.00 N ATOM 750 CA PHE A 59 4.601 0.818 -3.303 1.00 0.00 C ATOM 751 C PHE A 59 4.630 0.342 -4.753 1.00 0.00 C ATOM 752 O PHE A 59 4.198 1.056 -5.659 1.00 0.00 O ATOM 753 CB PHE A 59 3.243 1.455 -2.976 1.00 0.00 C ATOM 754 CG PHE A 59 2.570 0.860 -1.765 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.288 0.616 -0.604 1.00 0.00 C ATOM 756 CD2 PHE A 59 1.220 0.542 -1.791 1.00 0.00 C ATOM 757 CE1 PHE A 59 2.673 0.067 0.506 1.00 0.00 C ATOM 758 CE2 PHE A 59 0.601 -0.007 -0.682 1.00 0.00 C ATOM 759 CZ PHE A 59 1.329 -0.245 0.467 1.00 0.00 C ATOM 0 H PHE A 59 5.488 2.719 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 59 4.741 -0.042 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.383 2.524 -2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.584 1.346 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.340 0.858 -0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.646 0.725 -2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.244 -0.118 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.451 -0.249 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.848 -0.674 1.333 1.00 0.00 H new ATOM 769 N ARG A 60 5.152 -0.864 -4.967 1.00 0.00 N ATOM 770 CA ARG A 60 5.247 -1.436 -6.308 1.00 0.00 C ATOM 771 C ARG A 60 3.949 -2.136 -6.699 1.00 0.00 C ATOM 772 O ARG A 60 3.294 -2.762 -5.865 1.00 0.00 O ATOM 773 CB ARG A 60 6.412 -2.428 -6.387 1.00 0.00 C ATOM 774 CG ARG A 60 7.772 -1.802 -6.119 1.00 0.00 C ATOM 775 CD ARG A 60 8.830 -2.349 -7.066 1.00 0.00 C ATOM 776 NE ARG A 60 9.866 -1.362 -7.368 1.00 0.00 N ATOM 777 CZ ARG A 60 10.772 -1.504 -8.338 1.00 0.00 C ATOM 778 NH1 ARG A 60 10.778 -2.594 -9.103 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.677 -0.554 -8.543 1.00 0.00 N ATOM 0 H ARG A 60 5.516 -1.465 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 60 5.425 -0.618 -7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.244 -3.230 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.421 -2.885 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.705 -0.720 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.068 -1.998 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.290 -3.232 -6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.354 -2.669 -7.993 1.00 0.00 H new ATOM 0 HE ARG A 60 9.898 -0.513 -6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.087 -3.328 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.474 -2.695 -9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.679 0.283 -7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.370 -0.661 -9.284 1.00 0.00 H new ATOM 793 N PHE A 61 3.588 -2.024 -7.976 1.00 0.00 N ATOM 794 CA PHE A 61 2.371 -2.642 -8.491 1.00 0.00 C ATOM 795 C PHE A 61 2.631 -3.296 -9.849 1.00 0.00 C ATOM 796 O PHE A 61 2.427 -2.676 -10.895 1.00 0.00 O ATOM 797 CB PHE A 61 1.258 -1.595 -8.608 1.00 0.00 C ATOM 798 CG PHE A 61 -0.090 -2.184 -8.906 1.00 0.00 C ATOM 799 CD1 PHE A 61 -0.882 -2.676 -7.883 1.00 0.00 C ATOM 800 CD2 PHE A 61 -0.563 -2.251 -10.207 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.119 -3.223 -8.150 1.00 0.00 C ATOM 802 CE2 PHE A 61 -1.802 -2.799 -10.481 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.581 -3.286 -9.450 1.00 0.00 C ATOM 0 H PHE A 61 4.124 -1.509 -8.674 1.00 0.00 H new ATOM 0 HA PHE A 61 2.054 -3.417 -7.793 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.201 -1.031 -7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.518 -0.886 -9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.527 -2.631 -6.864 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.043 -1.871 -11.016 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.727 -3.602 -7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.160 -2.846 -11.499 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.550 -3.715 -9.660 1.00 0.00 H new ATOM 813 N ASP A 62 3.094 -4.549 -9.823 1.00 0.00 N ATOM 814 CA ASP A 62 3.397 -5.292 -11.050 1.00 0.00 C ATOM 815 C ASP A 62 4.316 -4.482 -11.974 1.00 0.00 C ATOM 816 O ASP A 62 4.171 -4.511 -13.199 1.00 0.00 O ATOM 817 CB ASP A 62 2.099 -5.666 -11.779 1.00 0.00 C ATOM 818 CG ASP A 62 1.610 -7.053 -11.410 1.00 0.00 C ATOM 819 OD1 ASP A 62 2.150 -8.038 -11.956 1.00 0.00 O ATOM 820 OD2 ASP A 62 0.688 -7.154 -10.573 1.00 0.00 O ATOM 0 H ASP A 62 3.268 -5.071 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 62 3.921 -6.206 -10.772 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.327 -4.935 -11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.262 -5.615 -12.856 1.00 0.00 H new ATOM 825 N GLY A 63 5.263 -3.758 -11.372 1.00 0.00 N ATOM 826 CA GLY A 63 6.192 -2.946 -12.142 1.00 0.00 C ATOM 827 C GLY A 63 5.741 -1.497 -12.290 1.00 0.00 C ATOM 828 O GLY A 63 6.225 -0.785 -13.170 1.00 0.00 O ATOM 0 H GLY A 63 5.402 -3.721 -10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.170 -2.968 -11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.314 -3.385 -13.132 1.00 0.00 H new ATOM 832 N GLN A 64 4.817 -1.057 -11.427 1.00 0.00 N ATOM 833 CA GLN A 64 4.314 0.314 -11.471 1.00 0.00 C ATOM 834 C GLN A 64 4.682 1.070 -10.193 1.00 0.00 C ATOM 835 O GLN A 64 4.010 0.934 -9.168 1.00 0.00 O ATOM 836 CB GLN A 64 2.794 0.323 -11.663 1.00 0.00 C ATOM 837 CG GLN A 64 2.364 0.328 -13.120 1.00 0.00 C ATOM 838 CD GLN A 64 1.798 1.668 -13.554 1.00 0.00 C ATOM 839 OE1 GLN A 64 2.502 2.677 -13.560 1.00 0.00 O ATOM 840 NE2 GLN A 64 0.520 1.686 -13.919 1.00 0.00 N ATOM 0 H GLN A 64 4.405 -1.632 -10.692 1.00 0.00 H new ATOM 0 HA GLN A 64 4.780 0.816 -12.319 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.369 -0.552 -11.171 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.379 1.201 -11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.218 0.077 -13.749 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.614 -0.448 -13.277 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.028 0.826 -13.899 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.088 2.560 -14.219 1.00 0.00 H new ATOM 849 N PRO A 65 5.763 1.877 -10.236 1.00 0.00 N ATOM 850 CA PRO A 65 6.219 2.655 -9.076 1.00 0.00 C ATOM 851 C PRO A 65 5.245 3.773 -8.710 1.00 0.00 C ATOM 852 O PRO A 65 5.148 4.779 -9.416 1.00 0.00 O ATOM 853 CB PRO A 65 7.559 3.239 -9.537 1.00 0.00 C ATOM 854 CG PRO A 65 7.476 3.264 -11.025 1.00 0.00 C ATOM 855 CD PRO A 65 6.624 2.089 -11.416 1.00 0.00 C ATOM 0 HA PRO A 65 6.297 2.040 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.713 4.240 -9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.394 2.626 -9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.036 4.198 -11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.468 3.192 -11.472 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.036 2.300 -12.309 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.230 1.209 -11.634 1.00 0.00 H new ATOM 863 N ILE A 66 4.525 3.589 -7.604 1.00 0.00 N ATOM 864 CA ILE A 66 3.556 4.582 -7.146 1.00 0.00 C ATOM 865 C ILE A 66 3.863 5.050 -5.722 1.00 0.00 C ATOM 866 O ILE A 66 4.328 4.272 -4.886 1.00 0.00 O ATOM 867 CB ILE A 66 2.108 4.040 -7.211 1.00 0.00 C ATOM 868 CG1 ILE A 66 1.994 2.694 -6.486 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.662 3.903 -8.662 1.00 0.00 C ATOM 870 CD1 ILE A 66 0.567 2.216 -6.314 1.00 0.00 C ATOM 0 H ILE A 66 4.595 2.763 -7.010 1.00 0.00 H new ATOM 0 HA ILE A 66 3.640 5.433 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 66 1.453 4.751 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.555 1.943 -7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.461 2.779 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.642 3.521 -8.694 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.700 4.878 -9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.325 3.212 -9.183 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.564 1.258 -5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.006 2.947 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.102 2.098 -7.293 1.00 0.00 H new ATOM 882 N ASN A 67 3.602 6.333 -5.460 1.00 0.00 N ATOM 883 CA ASN A 67 3.849 6.926 -4.143 1.00 0.00 C ATOM 884 C ASN A 67 2.646 6.731 -3.214 1.00 0.00 C ATOM 885 O ASN A 67 1.618 6.178 -3.619 1.00 0.00 O ATOM 886 CB ASN A 67 4.158 8.422 -4.291 1.00 0.00 C ATOM 887 CG ASN A 67 5.468 8.824 -3.637 1.00 0.00 C ATOM 888 OD1 ASN A 67 5.522 9.796 -2.885 1.00 0.00 O ATOM 889 ND2 ASN A 67 6.534 8.085 -3.926 1.00 0.00 N ATOM 0 H ASN A 67 3.218 6.984 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 67 4.707 6.421 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.194 8.677 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.346 9.001 -3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.440 8.316 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.446 7.287 -4.555 1.00 0.00 H new ATOM 896 N GLU A 68 2.773 7.202 -1.966 1.00 0.00 N ATOM 897 CA GLU A 68 1.690 7.084 -0.983 1.00 0.00 C ATOM 898 C GLU A 68 0.609 8.155 -1.191 1.00 0.00 C ATOM 899 O GLU A 68 0.031 8.659 -0.224 1.00 0.00 O ATOM 900 CB GLU A 68 2.246 7.165 0.450 1.00 0.00 C ATOM 901 CG GLU A 68 2.920 8.490 0.789 1.00 0.00 C ATOM 902 CD GLU A 68 4.435 8.409 0.746 1.00 0.00 C ATOM 903 OE1 GLU A 68 5.013 7.631 1.536 1.00 0.00 O ATOM 904 OE2 GLU A 68 5.043 9.127 -0.073 1.00 0.00 O ATOM 0 H GLU A 68 3.611 7.666 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 68 1.226 6.109 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.431 6.995 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.965 6.358 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.582 9.254 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.606 8.808 1.783 1.00 0.00 H new ATOM 911 N THR A 69 0.326 8.492 -2.453 1.00 0.00 N ATOM 912 CA THR A 69 -0.692 9.489 -2.775 1.00 0.00 C ATOM 913 C THR A 69 -1.570 9.035 -3.947 1.00 0.00 C ATOM 914 O THR A 69 -2.251 9.854 -4.569 1.00 0.00 O ATOM 915 CB THR A 69 -0.036 10.835 -3.112 1.00 0.00 C ATOM 916 OG1 THR A 69 0.844 10.712 -4.220 1.00 0.00 O ATOM 917 CG2 THR A 69 0.751 11.426 -1.961 1.00 0.00 C ATOM 0 H THR A 69 0.789 8.087 -3.267 1.00 0.00 H new ATOM 0 HA THR A 69 -1.327 9.606 -1.897 1.00 0.00 H new ATOM 0 HB THR A 69 -0.865 11.503 -3.344 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.248 11.583 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.187 12.376 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.087 11.589 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.546 10.738 -1.673 1.00 0.00 H new ATOM 925 N ASP A 70 -1.547 7.732 -4.256 1.00 0.00 N ATOM 926 CA ASP A 70 -2.341 7.199 -5.363 1.00 0.00 C ATOM 927 C ASP A 70 -3.841 7.284 -5.078 1.00 0.00 C ATOM 928 O ASP A 70 -4.261 7.448 -3.931 1.00 0.00 O ATOM 929 CB ASP A 70 -1.953 5.748 -5.657 1.00 0.00 C ATOM 930 CG ASP A 70 -2.066 5.412 -7.132 1.00 0.00 C ATOM 931 OD1 ASP A 70 -3.184 5.079 -7.581 1.00 0.00 O ATOM 932 OD2 ASP A 70 -1.039 5.488 -7.837 1.00 0.00 O ATOM 0 H ASP A 70 -0.992 7.036 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.126 7.814 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.930 5.573 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.594 5.079 -5.084 1.00 0.00 H new ATOM 937 N THR A 71 -4.639 7.161 -6.142 1.00 0.00 N ATOM 938 CA THR A 71 -6.098 7.216 -6.039 1.00 0.00 C ATOM 939 C THR A 71 -6.774 6.645 -7.294 1.00 0.00 C ATOM 940 O THR A 71 -7.604 5.742 -7.186 1.00 0.00 O ATOM 941 CB THR A 71 -6.586 8.654 -5.788 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.539 9.599 -5.955 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.165 8.847 -4.401 1.00 0.00 C ATOM 0 H THR A 71 -4.294 7.022 -7.092 1.00 0.00 H new ATOM 0 HA THR A 71 -6.380 6.598 -5.186 1.00 0.00 H new ATOM 0 HB THR A 71 -7.369 8.819 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.883 10.501 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.492 9.880 -4.284 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.016 8.180 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.404 8.620 -3.654 1.00 0.00 H new ATOM 951 N PRO A 72 -6.442 7.161 -8.505 1.00 0.00 N ATOM 952 CA PRO A 72 -7.045 6.681 -9.761 1.00 0.00 C ATOM 953 C PRO A 72 -6.995 5.159 -9.912 1.00 0.00 C ATOM 954 O PRO A 72 -8.020 4.526 -10.165 1.00 0.00 O ATOM 955 CB PRO A 72 -6.199 7.354 -10.843 1.00 0.00 C ATOM 956 CG PRO A 72 -5.683 8.593 -10.202 1.00 0.00 C ATOM 957 CD PRO A 72 -5.472 8.252 -8.751 1.00 0.00 C ATOM 0 HA PRO A 72 -8.106 6.925 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.384 6.707 -11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.795 7.584 -11.726 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.751 8.914 -10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.392 9.413 -10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.449 7.929 -8.560 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.661 9.110 -8.106 1.00 0.00 H new ATOM 965 N ALA A 73 -5.803 4.578 -9.753 1.00 0.00 N ATOM 966 CA ALA A 73 -5.632 3.129 -9.869 1.00 0.00 C ATOM 967 C ALA A 73 -6.424 2.397 -8.787 1.00 0.00 C ATOM 968 O ALA A 73 -7.039 1.360 -9.047 1.00 0.00 O ATOM 969 CB ALA A 73 -4.158 2.758 -9.791 1.00 0.00 C ATOM 0 H ALA A 73 -4.945 5.088 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.018 2.820 -10.840 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.050 1.677 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.617 3.244 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.750 3.087 -8.835 1.00 0.00 H new ATOM 975 N GLN A 74 -6.411 2.955 -7.574 1.00 0.00 N ATOM 976 CA GLN A 74 -7.136 2.371 -6.450 1.00 0.00 C ATOM 977 C GLN A 74 -8.634 2.267 -6.759 1.00 0.00 C ATOM 978 O GLN A 74 -9.297 1.323 -6.330 1.00 0.00 O ATOM 979 CB GLN A 74 -6.913 3.208 -5.185 1.00 0.00 C ATOM 980 CG GLN A 74 -7.532 2.602 -3.933 1.00 0.00 C ATOM 981 CD GLN A 74 -8.912 3.156 -3.636 1.00 0.00 C ATOM 982 OE1 GLN A 74 -9.906 2.433 -3.683 1.00 0.00 O ATOM 983 NE2 GLN A 74 -8.980 4.446 -3.331 1.00 0.00 N ATOM 0 H GLN A 74 -5.905 3.811 -7.348 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.752 1.365 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.842 3.332 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.330 4.203 -5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.597 1.520 -4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.878 2.791 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.130 5.009 -3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.882 4.874 -3.124 1.00 0.00 H new ATOM 992 N LEU A 75 -9.156 3.235 -7.518 1.00 0.00 N ATOM 993 CA LEU A 75 -10.567 3.242 -7.893 1.00 0.00 C ATOM 994 C LEU A 75 -10.834 2.223 -8.998 1.00 0.00 C ATOM 995 O LEU A 75 -11.899 1.605 -9.037 1.00 0.00 O ATOM 996 CB LEU A 75 -10.989 4.638 -8.358 1.00 0.00 C ATOM 997 CG LEU A 75 -12.356 5.109 -7.855 1.00 0.00 C ATOM 998 CD1 LEU A 75 -12.533 6.599 -8.114 1.00 0.00 C ATOM 999 CD2 LEU A 75 -13.472 4.313 -8.518 1.00 0.00 C ATOM 0 H LEU A 75 -8.620 4.022 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.154 2.969 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.234 5.355 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.996 4.653 -9.448 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.406 4.938 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.510 6.918 -7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.753 7.154 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.463 6.793 -9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.436 4.661 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.426 4.452 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.354 3.255 -8.283 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.858 2.050 -9.893 1.00 0.00 N ATOM 1012 CA GLU A 76 -9.987 1.101 -10.996 1.00 0.00 C ATOM 1013 C GLU A 76 -10.250 -0.313 -10.473 1.00 0.00 C ATOM 1014 O GLU A 76 -11.002 -1.076 -11.079 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.727 1.108 -11.870 1.00 0.00 C ATOM 1016 CG GLU A 76 -8.509 2.409 -12.629 1.00 0.00 C ATOM 1017 CD GLU A 76 -9.398 2.532 -13.852 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -10.619 2.742 -13.683 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -8.874 2.421 -14.980 1.00 0.00 O ATOM 0 H GLU A 76 -8.972 2.555 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.837 1.412 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.859 0.917 -11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.788 0.288 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.698 3.250 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.465 2.475 -12.936 1.00 0.00 H new ATOM 1026 N MET A 77 -9.625 -0.653 -9.341 1.00 0.00 N ATOM 1027 CA MET A 77 -9.794 -1.973 -8.733 1.00 0.00 C ATOM 1028 C MET A 77 -11.200 -2.139 -8.149 1.00 0.00 C ATOM 1029 O MET A 77 -12.022 -1.221 -8.209 1.00 0.00 O ATOM 1030 CB MET A 77 -8.743 -2.189 -7.639 1.00 0.00 C ATOM 1031 CG MET A 77 -7.530 -2.971 -8.111 1.00 0.00 C ATOM 1032 SD MET A 77 -7.941 -4.658 -8.601 1.00 0.00 S ATOM 1033 CE MET A 77 -7.418 -4.651 -10.314 1.00 0.00 C ATOM 0 H MET A 77 -8.999 -0.032 -8.829 1.00 0.00 H new ATOM 0 HA MET A 77 -9.660 -2.722 -9.513 1.00 0.00 H new ATOM 0 HB2 MET A 77 -8.417 -1.219 -7.263 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.203 -2.716 -6.803 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.073 -2.453 -8.954 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.787 -2.999 -7.314 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.608 -5.629 -10.756 1.00 0.00 H new ATOM 0 HE2 MET A 77 -7.975 -3.891 -10.861 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.352 -4.429 -10.368 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.470 -3.316 -7.581 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.777 -3.598 -6.987 1.00 0.00 C ATOM 1045 C GLU A 78 -12.638 -4.210 -5.591 1.00 0.00 C ATOM 1046 O GLU A 78 -13.156 -3.658 -4.618 1.00 0.00 O ATOM 1047 CB GLU A 78 -13.605 -4.520 -7.896 1.00 0.00 C ATOM 1048 CG GLU A 78 -12.832 -5.701 -8.470 1.00 0.00 C ATOM 1049 CD GLU A 78 -13.488 -6.281 -9.709 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -13.307 -5.704 -10.802 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -14.184 -7.311 -9.586 1.00 0.00 O ATOM 0 H GLU A 78 -10.804 -4.086 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.301 -2.648 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.455 -4.899 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.008 -3.931 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.819 -5.383 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.747 -6.478 -7.711 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.942 -5.347 -5.495 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.749 -6.021 -4.212 1.00 0.00 C ATOM 1060 C ASP A 79 -10.382 -6.699 -4.141 1.00 0.00 C ATOM 1061 O ASP A 79 -9.527 -6.294 -3.355 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.857 -7.050 -3.981 1.00 0.00 C ATOM 1063 CG ASP A 79 -14.199 -6.402 -3.703 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -14.429 -5.987 -2.548 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -15.017 -6.306 -4.641 1.00 0.00 O ATOM 0 H ASP A 79 -11.505 -5.817 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.793 -5.265 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.941 -7.692 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.585 -7.690 -3.142 1.00 0.00 H new ATOM 1070 N GLU A 80 -10.186 -7.731 -4.963 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.922 -8.468 -4.992 1.00 0.00 C ATOM 1072 C GLU A 80 -7.843 -7.673 -5.726 1.00 0.00 C ATOM 1073 O GLU A 80 -7.993 -7.353 -6.907 1.00 0.00 O ATOM 1074 CB GLU A 80 -9.116 -9.832 -5.666 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.115 -11.003 -4.693 1.00 0.00 C ATOM 1076 CD GLU A 80 -8.299 -12.185 -5.189 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -7.126 -11.984 -5.571 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -8.835 -13.312 -5.191 1.00 0.00 O ATOM 0 H GLU A 80 -10.888 -8.076 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.597 -8.622 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.059 -9.826 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.324 -9.980 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.718 -10.671 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.142 -11.325 -4.519 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.755 -7.359 -5.020 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.653 -6.602 -5.607 1.00 0.00 C ATOM 1087 C ASP A 81 -4.307 -7.034 -5.019 1.00 0.00 C ATOM 1088 O ASP A 81 -4.208 -7.347 -3.830 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.872 -5.101 -5.399 1.00 0.00 C ATOM 1090 CG ASP A 81 -4.903 -4.258 -6.204 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -4.843 -4.440 -7.438 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -4.202 -3.419 -5.601 1.00 0.00 O ATOM 0 H ASP A 81 -6.616 -7.618 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.631 -6.811 -6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.893 -4.843 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.763 -4.864 -4.341 1.00 0.00 H new ATOM 1097 N THR A 82 -3.277 -7.054 -5.868 1.00 0.00 N ATOM 1098 CA THR A 82 -1.933 -7.457 -5.450 1.00 0.00 C ATOM 1099 C THR A 82 -0.961 -6.278 -5.502 1.00 0.00 C ATOM 1100 O THR A 82 -0.903 -5.553 -6.497 1.00 0.00 O ATOM 1101 CB THR A 82 -1.408 -8.596 -6.337 1.00 0.00 C ATOM 1102 OG1 THR A 82 -2.420 -9.084 -7.203 1.00 0.00 O ATOM 1103 CG2 THR A 82 -0.877 -9.774 -5.549 1.00 0.00 C ATOM 0 H THR A 82 -3.349 -6.795 -6.852 1.00 0.00 H new ATOM 0 HA THR A 82 -2.001 -7.807 -4.420 1.00 0.00 H new ATOM 0 HB THR A 82 -0.589 -8.153 -6.904 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.057 -9.807 -7.756 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.523 -10.542 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.053 -9.446 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.673 -10.184 -4.927 1.00 0.00 H new ATOM 1111 N ILE A 83 -0.195 -6.098 -4.423 1.00 0.00 N ATOM 1112 CA ILE A 83 0.783 -5.011 -4.339 1.00 0.00 C ATOM 1113 C ILE A 83 2.092 -5.500 -3.709 1.00 0.00 C ATOM 1114 O ILE A 83 2.150 -6.599 -3.151 1.00 0.00 O ATOM 1115 CB ILE A 83 0.242 -3.807 -3.524 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -1.290 -3.730 -3.599 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.856 -2.507 -4.026 1.00 0.00 C ATOM 1118 CD1 ILE A 83 -1.999 -4.597 -2.580 1.00 0.00 C ATOM 0 H ILE A 83 -0.234 -6.692 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 83 0.972 -4.680 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 83 0.525 -3.954 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.599 -2.694 -3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.610 -4.025 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.466 -1.672 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.940 -2.551 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.602 -2.367 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.077 -4.488 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.721 -5.640 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.710 -4.288 -1.575 1.00 0.00 H new ATOM 1130 N ASP A 84 3.140 -4.680 -3.806 1.00 0.00 N ATOM 1131 CA ASP A 84 4.452 -5.029 -3.256 1.00 0.00 C ATOM 1132 C ASP A 84 5.144 -3.806 -2.655 1.00 0.00 C ATOM 1133 O ASP A 84 5.564 -2.905 -3.382 1.00 0.00 O ATOM 1134 CB ASP A 84 5.339 -5.628 -4.352 1.00 0.00 C ATOM 1135 CG ASP A 84 5.027 -7.087 -4.627 1.00 0.00 C ATOM 1136 OD1 ASP A 84 4.115 -7.357 -5.434 1.00 0.00 O ATOM 1137 OD2 ASP A 84 5.700 -7.958 -4.038 1.00 0.00 O ATOM 0 H ASP A 84 3.106 -3.768 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 84 4.298 -5.763 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.212 -5.054 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.385 -5.533 -4.059 1.00 0.00 H new ATOM 1142 N VAL A 85 5.270 -3.781 -1.330 1.00 0.00 N ATOM 1143 CA VAL A 85 5.922 -2.664 -0.649 1.00 0.00 C ATOM 1144 C VAL A 85 7.415 -2.938 -0.445 1.00 0.00 C ATOM 1145 O VAL A 85 7.799 -3.840 0.302 1.00 0.00 O ATOM 1146 CB VAL A 85 5.256 -2.348 0.711 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.383 -3.520 1.675 1.00 0.00 C ATOM 1148 CG2 VAL A 85 5.849 -1.080 1.314 1.00 0.00 C ATOM 0 H VAL A 85 4.932 -4.516 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 85 5.806 -1.793 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 85 4.193 -2.181 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.905 -3.266 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.898 -4.397 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.437 -3.737 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.369 -0.873 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.920 -1.216 1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.683 -0.243 0.636 1.00 0.00 H new ATOM 1158 N PHE A 86 8.249 -2.147 -1.120 1.00 0.00 N ATOM 1159 CA PHE A 86 9.701 -2.292 -1.024 1.00 0.00 C ATOM 1160 C PHE A 86 10.368 -0.940 -0.753 1.00 0.00 C ATOM 1161 O PHE A 86 9.719 0.105 -0.818 1.00 0.00 O ATOM 1162 CB PHE A 86 10.260 -2.901 -2.319 1.00 0.00 C ATOM 1163 CG PHE A 86 9.678 -4.248 -2.670 1.00 0.00 C ATOM 1164 CD1 PHE A 86 9.471 -5.210 -1.693 1.00 0.00 C ATOM 1165 CD2 PHE A 86 9.342 -4.550 -3.981 1.00 0.00 C ATOM 1166 CE1 PHE A 86 8.940 -6.443 -2.015 1.00 0.00 C ATOM 1167 CE2 PHE A 86 8.810 -5.783 -4.308 1.00 0.00 C ATOM 1168 CZ PHE A 86 8.608 -6.730 -3.324 1.00 0.00 C ATOM 0 H PHE A 86 7.943 -1.398 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 86 9.922 -2.959 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.073 -2.211 -3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.341 -2.998 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.728 -4.992 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.498 -3.813 -4.755 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.784 -7.183 -1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.552 -6.006 -5.333 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.191 -7.693 -3.578 1.00 0.00 H new ATOM 1178 N GLN A 87 11.667 -0.967 -0.450 1.00 0.00 N ATOM 1179 CA GLN A 87 12.420 0.258 -0.174 1.00 0.00 C ATOM 1180 C GLN A 87 12.941 0.882 -1.470 1.00 0.00 C ATOM 1181 O GLN A 87 13.183 0.178 -2.452 1.00 0.00 O ATOM 1182 CB GLN A 87 13.588 -0.038 0.773 1.00 0.00 C ATOM 1183 CG GLN A 87 13.253 0.176 2.244 1.00 0.00 C ATOM 1184 CD GLN A 87 13.851 -0.887 3.151 1.00 0.00 C ATOM 1185 OE1 GLN A 87 14.489 -1.834 2.688 1.00 0.00 O ATOM 1186 NE2 GLN A 87 13.646 -0.737 4.455 1.00 0.00 N ATOM 0 H GLN A 87 12.219 -1.823 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 87 11.747 0.970 0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.909 -1.070 0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.432 0.598 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.615 1.156 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 87 12.170 0.183 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.112 0.061 4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.022 -1.420 5.112 1.00 0.00 H new ATOM 1195 N GLN A 88 13.106 2.209 -1.468 1.00 0.00 N ATOM 1196 CA GLN A 88 13.594 2.931 -2.648 1.00 0.00 C ATOM 1197 C GLN A 88 14.997 2.462 -3.045 1.00 0.00 C ATOM 1198 O GLN A 88 15.159 1.744 -4.034 1.00 0.00 O ATOM 1199 CB GLN A 88 13.591 4.444 -2.391 1.00 0.00 C ATOM 1200 CG GLN A 88 12.400 5.162 -3.009 1.00 0.00 C ATOM 1201 CD GLN A 88 11.486 5.804 -1.979 1.00 0.00 C ATOM 1202 OE1 GLN A 88 11.671 5.643 -0.771 1.00 0.00 O ATOM 1203 NE2 GLN A 88 10.486 6.537 -2.457 1.00 0.00 N ATOM 0 H GLN A 88 12.909 2.804 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 88 12.919 2.713 -3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.594 4.622 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.511 4.874 -2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.762 5.930 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.825 4.452 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.369 6.645 -3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.836 6.992 -1.816 1.00 0.00 H new ATOM 1212 N GLN A 89 16.004 2.869 -2.271 1.00 0.00 N ATOM 1213 CA GLN A 89 17.391 2.483 -2.541 1.00 0.00 C ATOM 1214 C GLN A 89 17.966 1.641 -1.397 1.00 0.00 C ATOM 1215 O GLN A 89 18.787 0.755 -1.631 1.00 0.00 O ATOM 1216 CB GLN A 89 18.261 3.726 -2.761 1.00 0.00 C ATOM 1217 CG GLN A 89 19.169 3.632 -3.979 1.00 0.00 C ATOM 1218 CD GLN A 89 20.286 4.660 -3.957 1.00 0.00 C ATOM 1219 OE1 GLN A 89 21.155 4.630 -3.086 1.00 0.00 O ATOM 1220 NE2 GLN A 89 20.268 5.577 -4.919 1.00 0.00 N ATOM 0 H GLN A 89 15.886 3.466 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 89 17.396 1.878 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.614 4.597 -2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.873 3.891 -1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 89 19.601 2.633 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 89 18.574 3.767 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.528 5.565 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.994 6.293 -4.955 1.00 0.00 H new ATOM 1229 N THR A 90 17.526 1.935 -0.162 1.00 0.00 N ATOM 1230 CA THR A 90 17.979 1.228 1.044 1.00 0.00 C ATOM 1231 C THR A 90 19.493 0.992 1.029 1.00 0.00 C ATOM 1232 O THR A 90 19.968 -0.089 0.672 1.00 0.00 O ATOM 1233 CB THR A 90 17.210 -0.096 1.234 1.00 0.00 C ATOM 1234 OG1 THR A 90 17.777 -0.869 2.282 1.00 0.00 O ATOM 1235 CG2 THR A 90 17.159 -0.970 -0.004 1.00 0.00 C ATOM 0 H THR A 90 16.845 2.671 0.027 1.00 0.00 H new ATOM 0 HA THR A 90 17.760 1.869 1.898 1.00 0.00 H new ATOM 0 HB THR A 90 16.192 0.213 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.272 -1.702 2.384 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.601 -1.880 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 90 16.667 -0.428 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.173 -1.231 -0.307 1.00 0.00 H new ATOM 1243 N GLY A 91 20.242 2.018 1.428 1.00 0.00 N ATOM 1244 CA GLY A 91 21.692 1.922 1.466 1.00 0.00 C ATOM 1245 C GLY A 91 22.368 2.911 0.532 1.00 0.00 C ATOM 1246 O GLY A 91 23.331 2.563 -0.153 1.00 0.00 O ATOM 0 H GLY A 91 19.868 2.918 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 91 22.037 2.096 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 91 21.993 0.910 1.196 1.00 0.00 H new ATOM 1250 N GLY A 92 21.863 4.146 0.506 1.00 0.00 N ATOM 1251 CA GLY A 92 22.433 5.168 -0.351 1.00 0.00 C ATOM 1252 C GLY A 92 23.462 6.019 0.366 1.00 0.00 C ATOM 1253 O GLY A 92 23.087 6.724 1.326 1.00 0.00 O ATOM 0 H GLY A 92 21.068 4.454 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 92 22.897 4.695 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 92 21.635 5.808 -0.727 1.00 0.00 H new TER 1257 GLY A 92