USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 461 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.07 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0342) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.393 K(o=-0.39,f=-0.93) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.137 F(o=-1.2,f=-0.14) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= -0.0128 (180deg=-0.158) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -0.0188 (180deg=-0.21) USER MOD Single : A 51 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.5!) USER MOD Single : A 52 TYR OH : rot -57:sc= 1.15 USER MOD Single : B 1 VAL N :NH3+ 175:sc= 0 (180deg=-0.0224) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.965 3.385 4.040 1.00 0.00 N ATOM 2 CA MET A 1 7.732 1.959 3.981 1.00 0.00 C ATOM 3 C MET A 1 7.374 1.643 2.524 1.00 0.00 C ATOM 4 O MET A 1 6.589 2.369 1.918 1.00 0.00 O ATOM 5 CB MET A 1 6.519 1.705 4.891 1.00 0.00 C ATOM 6 CG MET A 1 6.085 0.243 5.020 1.00 0.00 C ATOM 7 SD MET A 1 6.997 -0.593 6.327 1.00 0.00 S ATOM 8 CE MET A 1 5.609 -1.090 7.363 1.00 0.00 C ATOM 0 H1 MET A 1 7.604 3.759 4.941 1.00 0.00 H new ATOM 0 H2 MET A 1 8.986 3.573 3.971 1.00 0.00 H new ATOM 0 H3 MET A 1 7.473 3.850 3.250 1.00 0.00 H new ATOM 0 HA MET A 1 8.582 1.352 4.294 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.747 2.087 5.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.676 2.284 4.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.017 0.195 5.230 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.247 -0.272 4.073 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.980 -1.629 8.235 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.063 -0.205 7.689 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.943 -1.737 6.793 1.00 0.00 H new ATOM 18 N GLU A 2 7.984 0.560 1.985 1.00 0.00 N ATOM 19 CA GLU A 2 7.662 0.185 0.623 1.00 0.00 C ATOM 20 C GLU A 2 6.293 -0.506 0.687 1.00 0.00 C ATOM 21 O GLU A 2 5.882 -1.047 1.707 1.00 0.00 O ATOM 22 CB GLU A 2 8.765 -0.734 0.071 1.00 0.00 C ATOM 23 CG GLU A 2 8.528 -1.252 -1.355 1.00 0.00 C ATOM 24 CD GLU A 2 8.476 -0.123 -2.401 1.00 0.00 C ATOM 25 OE1 GLU A 2 9.534 0.387 -2.768 1.00 0.00 O ATOM 26 OE2 GLU A 2 7.384 0.227 -2.845 1.00 0.00 O ATOM 0 H GLU A 2 8.666 -0.032 2.459 1.00 0.00 H new ATOM 0 HA GLU A 2 7.611 1.040 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.711 -0.193 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.872 -1.589 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.323 -1.950 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.592 -1.810 -1.383 1.00 0.00 H new ATOM 33 N ALA A 3 5.593 -0.368 -0.440 1.00 0.00 N ATOM 34 CA ALA A 3 4.278 -0.951 -0.595 1.00 0.00 C ATOM 35 C ALA A 3 4.190 -1.462 -2.042 1.00 0.00 C ATOM 36 O ALA A 3 4.584 -0.770 -2.969 1.00 0.00 O ATOM 37 CB ALA A 3 3.298 0.135 -0.155 1.00 0.00 C ATOM 0 H ALA A 3 5.924 0.146 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 3 4.043 -1.823 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.278 -0.237 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.495 0.404 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.421 1.014 -0.787 1.00 0.00 H new ATOM 43 N ILE A 4 3.687 -2.707 -2.190 1.00 0.00 N ATOM 44 CA ILE A 4 3.625 -3.307 -3.522 1.00 0.00 C ATOM 45 C ILE A 4 2.339 -4.118 -3.670 1.00 0.00 C ATOM 46 O ILE A 4 2.066 -5.041 -2.915 1.00 0.00 O ATOM 47 CB ILE A 4 4.838 -4.244 -3.718 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.176 -3.486 -3.581 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.774 -4.991 -5.067 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.424 -4.355 -3.768 1.00 0.00 C ATOM 0 H ILE A 4 3.333 -3.289 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 4 3.641 -2.515 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 4 4.789 -4.986 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.198 -2.679 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.217 -3.022 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.645 -5.639 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.867 -5.594 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.765 -4.268 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.316 -3.739 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.432 -5.147 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.413 -4.798 -4.764 1.00 0.00 H new ATOM 62 N ALA A 5 1.581 -3.716 -4.704 1.00 0.00 N ATOM 63 CA ALA A 5 0.331 -4.388 -5.016 1.00 0.00 C ATOM 64 C ALA A 5 0.571 -5.837 -5.515 1.00 0.00 C ATOM 65 O ALA A 5 1.242 -6.077 -6.511 1.00 0.00 O ATOM 66 CB ALA A 5 -0.395 -3.566 -6.079 1.00 0.00 C ATOM 0 H ALA A 5 1.816 -2.940 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.276 -4.463 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.339 -4.050 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.592 -2.566 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.227 -3.495 -6.972 1.00 0.00 H new ATOM 72 N LYS A 6 -0.044 -6.770 -4.764 1.00 0.00 N ATOM 73 CA LYS A 6 0.019 -8.197 -5.081 1.00 0.00 C ATOM 74 C LYS A 6 -1.117 -8.577 -6.039 1.00 0.00 C ATOM 75 O LYS A 6 -1.045 -9.567 -6.758 1.00 0.00 O ATOM 76 CB LYS A 6 -0.160 -9.022 -3.816 1.00 0.00 C ATOM 77 CG LYS A 6 1.030 -8.870 -2.881 1.00 0.00 C ATOM 78 CD LYS A 6 1.267 -10.159 -2.111 1.00 0.00 C ATOM 79 CE LYS A 6 0.191 -10.421 -1.054 1.00 0.00 C ATOM 80 NZ LYS A 6 0.544 -11.556 -0.210 1.00 0.00 N ATOM 0 H LYS A 6 -0.591 -6.553 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 6 0.989 -8.396 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.070 -8.711 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.286 -10.072 -4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.921 -8.612 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.851 -8.051 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.295 -10.995 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.243 -10.114 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.061 -9.532 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.764 -10.612 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.204 -11.709 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.645 -12.408 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.443 -11.362 0.275 1.00 0.00 H new ATOM 94 N TYR A 7 -2.148 -7.711 -5.996 1.00 0.00 N ATOM 95 CA TYR A 7 -3.327 -7.887 -6.831 1.00 0.00 C ATOM 96 C TYR A 7 -3.764 -6.534 -7.387 1.00 0.00 C ATOM 97 O TYR A 7 -3.290 -5.474 -7.001 1.00 0.00 O ATOM 98 CB TYR A 7 -4.486 -8.459 -5.999 1.00 0.00 C ATOM 99 CG TYR A 7 -4.169 -9.824 -5.460 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.516 -9.980 -4.247 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.519 -10.951 -6.186 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.193 -11.240 -3.773 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.230 -12.216 -5.718 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.547 -12.379 -4.504 1.00 0.00 C ATOM 105 OH TYR A 7 -3.194 -13.641 -4.035 1.00 0.00 O ATOM 0 H TYR A 7 -2.178 -6.890 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.079 -8.572 -7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.706 -7.784 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.384 -8.512 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.256 -9.108 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.026 -10.837 -7.133 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.666 -11.344 -2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.530 -13.083 -6.288 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.516 -14.324 -4.660 1.00 0.00 H new ATOM 115 N ASP A 8 -4.693 -6.683 -8.345 1.00 0.00 N ATOM 116 CA ASP A 8 -5.313 -5.569 -9.036 1.00 0.00 C ATOM 117 C ASP A 8 -6.597 -5.240 -8.260 1.00 0.00 C ATOM 118 O ASP A 8 -7.423 -6.099 -7.972 1.00 0.00 O ATOM 119 CB ASP A 8 -5.562 -5.927 -10.511 1.00 0.00 C ATOM 120 CG ASP A 8 -6.522 -7.120 -10.705 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.215 -8.221 -10.244 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.570 -6.925 -11.322 1.00 0.00 O ATOM 0 H ASP A 8 -5.030 -7.594 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.673 -4.687 -9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.970 -5.056 -11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.608 -6.158 -10.986 1.00 0.00 H new ATOM 127 N PHE A 9 -6.668 -3.945 -7.908 1.00 0.00 N ATOM 128 CA PHE A 9 -7.795 -3.443 -7.138 1.00 0.00 C ATOM 129 C PHE A 9 -8.228 -2.064 -7.631 1.00 0.00 C ATOM 130 O PHE A 9 -7.479 -1.277 -8.192 1.00 0.00 O ATOM 131 CB PHE A 9 -7.366 -3.336 -5.669 1.00 0.00 C ATOM 132 CG PHE A 9 -8.508 -3.073 -4.721 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.541 -3.993 -4.593 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.548 -1.904 -3.964 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.598 -3.747 -3.732 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.602 -1.662 -3.091 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.629 -2.587 -2.969 1.00 0.00 C ATOM 0 H PHE A 9 -5.965 -3.244 -8.145 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.636 -4.127 -7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.869 -4.261 -5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.633 -2.535 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.520 -4.906 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.753 -1.179 -4.056 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.403 -4.462 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.622 -0.754 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.446 -2.406 -2.286 1.00 0.00 H new ATOM 147 N LYS A 10 -9.515 -1.849 -7.351 1.00 0.00 N ATOM 148 CA LYS A 10 -10.159 -0.585 -7.670 1.00 0.00 C ATOM 149 C LYS A 10 -10.941 -0.145 -6.438 1.00 0.00 C ATOM 150 O LYS A 10 -11.709 -0.911 -5.871 1.00 0.00 O ATOM 151 CB LYS A 10 -11.069 -0.695 -8.895 1.00 0.00 C ATOM 152 CG LYS A 10 -10.289 -0.912 -10.194 1.00 0.00 C ATOM 153 CD LYS A 10 -9.514 0.330 -10.649 1.00 0.00 C ATOM 154 CE LYS A 10 -8.733 0.098 -11.947 1.00 0.00 C ATOM 155 NZ LYS A 10 -9.589 -0.195 -13.095 1.00 0.00 N ATOM 0 H LYS A 10 -10.125 -2.534 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.403 0.157 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.765 -1.521 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.666 0.213 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.591 -1.738 -10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.982 -1.208 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.211 1.156 -10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.822 0.630 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.135 0.983 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.038 -0.729 -11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.010 -0.241 -13.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.065 -1.108 -12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.302 0.555 -13.197 1.00 0.00 H new ATOM 169 N ALA A 11 -10.671 1.126 -6.059 1.00 0.00 N ATOM 170 CA ALA A 11 -11.341 1.714 -4.889 1.00 0.00 C ATOM 171 C ALA A 11 -12.872 1.582 -4.934 1.00 0.00 C ATOM 172 O ALA A 11 -13.512 1.464 -5.973 1.00 0.00 O ATOM 173 CB ALA A 11 -11.014 3.190 -4.675 1.00 0.00 C ATOM 0 H ALA A 11 -10.013 1.744 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.945 1.130 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.543 3.556 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.940 3.307 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.325 3.762 -5.549 1.00 0.00 H new ATOM 179 N THR A 12 -13.368 1.652 -3.690 1.00 0.00 N ATOM 180 CA THR A 12 -14.781 1.572 -3.362 1.00 0.00 C ATOM 181 C THR A 12 -15.330 2.931 -2.896 1.00 0.00 C ATOM 182 O THR A 12 -16.534 3.141 -2.792 1.00 0.00 O ATOM 183 CB THR A 12 -14.884 0.588 -2.170 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.374 1.094 -0.894 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.345 -0.807 -2.603 1.00 0.00 C ATOM 0 H THR A 12 -12.774 1.769 -2.869 1.00 0.00 H new ATOM 0 HA THR A 12 -15.349 1.258 -4.238 1.00 0.00 H new ATOM 0 HB THR A 12 -15.940 0.470 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.482 0.407 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.417 -1.501 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.937 -1.183 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.303 -0.715 -2.910 1.00 0.00 H new ATOM 193 N ALA A 13 -14.358 3.831 -2.639 1.00 0.00 N ATOM 194 CA ALA A 13 -14.651 5.169 -2.143 1.00 0.00 C ATOM 195 C ALA A 13 -13.586 6.176 -2.585 1.00 0.00 C ATOM 196 O ALA A 13 -12.511 5.855 -3.071 1.00 0.00 O ATOM 197 CB ALA A 13 -14.701 5.078 -0.612 1.00 0.00 C ATOM 0 H ALA A 13 -13.364 3.643 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.600 5.520 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.919 6.062 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.481 4.377 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.739 4.730 -0.237 1.00 0.00 H new ATOM 203 N ASP A 14 -14.022 7.424 -2.360 1.00 0.00 N ATOM 204 CA ASP A 14 -13.313 8.659 -2.647 1.00 0.00 C ATOM 205 C ASP A 14 -12.061 8.858 -1.749 1.00 0.00 C ATOM 206 O ASP A 14 -11.144 9.588 -2.106 1.00 0.00 O ATOM 207 CB ASP A 14 -14.374 9.745 -2.419 1.00 0.00 C ATOM 208 CG ASP A 14 -15.216 9.981 -3.687 1.00 0.00 C ATOM 209 OD1 ASP A 14 -14.834 10.818 -4.501 1.00 0.00 O ATOM 210 OD2 ASP A 14 -16.255 9.338 -3.839 1.00 0.00 O ATOM 0 H ASP A 14 -14.938 7.598 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.905 8.675 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.026 9.452 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.888 10.675 -2.125 1.00 0.00 H new ATOM 215 N ASP A 15 -12.076 8.170 -0.579 1.00 0.00 N ATOM 216 CA ASP A 15 -10.963 8.239 0.375 1.00 0.00 C ATOM 217 C ASP A 15 -9.901 7.150 0.085 1.00 0.00 C ATOM 218 O ASP A 15 -8.766 7.221 0.540 1.00 0.00 O ATOM 219 CB ASP A 15 -11.513 8.181 1.811 1.00 0.00 C ATOM 220 CG ASP A 15 -11.966 6.789 2.292 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.670 6.107 1.553 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.610 6.408 3.407 1.00 0.00 O ATOM 0 H ASP A 15 -12.845 7.568 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.444 9.190 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.745 8.549 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.358 8.865 1.886 1.00 0.00 H new ATOM 227 N GLU A 16 -10.358 6.166 -0.717 1.00 0.00 N ATOM 228 CA GLU A 16 -9.561 5.027 -1.157 1.00 0.00 C ATOM 229 C GLU A 16 -9.082 5.297 -2.592 1.00 0.00 C ATOM 230 O GLU A 16 -9.663 6.071 -3.342 1.00 0.00 O ATOM 231 CB GLU A 16 -10.457 3.774 -1.214 1.00 0.00 C ATOM 232 CG GLU A 16 -10.590 3.074 0.138 1.00 0.00 C ATOM 233 CD GLU A 16 -11.501 1.838 0.077 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.437 1.090 -0.902 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.272 1.634 1.010 1.00 0.00 O ATOM 0 H GLU A 16 -11.312 6.151 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.726 4.880 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.448 4.058 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.047 3.073 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.602 2.775 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.987 3.778 0.870 1.00 0.00 H new ATOM 242 N LEU A 17 -7.984 4.589 -2.922 1.00 0.00 N ATOM 243 CA LEU A 17 -7.435 4.693 -4.281 1.00 0.00 C ATOM 244 C LEU A 17 -7.069 3.310 -4.823 1.00 0.00 C ATOM 245 O LEU A 17 -6.850 2.335 -4.115 1.00 0.00 O ATOM 246 CB LEU A 17 -6.366 5.788 -4.446 1.00 0.00 C ATOM 247 CG LEU A 17 -5.022 5.576 -3.726 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.067 4.678 -4.506 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.309 6.916 -3.546 1.00 0.00 C ATOM 0 H LEU A 17 -7.480 3.964 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.225 5.064 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.164 5.904 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.791 6.729 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.265 5.105 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.137 4.565 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.524 3.699 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.856 5.127 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.359 6.757 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.126 7.365 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.933 7.583 -2.951 1.00 0.00 H new ATOM 261 N SER A 18 -7.036 3.349 -6.160 1.00 0.00 N ATOM 262 CA SER A 18 -6.789 2.197 -6.997 1.00 0.00 C ATOM 263 C SER A 18 -5.287 1.948 -7.204 1.00 0.00 C ATOM 264 O SER A 18 -4.432 2.806 -7.019 1.00 0.00 O ATOM 265 CB SER A 18 -7.374 2.590 -8.387 1.00 0.00 C ATOM 266 OG SER A 18 -8.815 2.933 -8.542 1.00 0.00 O ATOM 0 H SER A 18 -7.185 4.208 -6.690 1.00 0.00 H new ATOM 0 HA SER A 18 -7.223 1.304 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.802 3.446 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.168 1.763 -9.066 1.00 0.00 H new ATOM 0 HG SER A 18 -9.000 3.154 -9.479 1.00 0.00 H new ATOM 272 N PHE A 19 -5.081 0.692 -7.640 1.00 0.00 N ATOM 273 CA PHE A 19 -3.765 0.166 -7.979 1.00 0.00 C ATOM 274 C PHE A 19 -3.961 -1.050 -8.874 1.00 0.00 C ATOM 275 O PHE A 19 -4.979 -1.726 -8.858 1.00 0.00 O ATOM 276 CB PHE A 19 -2.886 -0.186 -6.767 1.00 0.00 C ATOM 277 CG PHE A 19 -3.561 -1.051 -5.736 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.565 -2.436 -5.850 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.170 -0.466 -4.629 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.139 -3.226 -4.862 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.753 -1.251 -3.649 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.733 -2.633 -3.758 1.00 0.00 C ATOM 0 H PHE A 19 -5.835 0.016 -7.765 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.219 0.957 -8.493 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.990 -0.696 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.560 0.738 -6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.118 -2.903 -6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.188 0.610 -4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.123 -4.302 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.225 -0.785 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.178 -3.245 -2.987 1.00 0.00 H new ATOM 292 N LYS A 20 -2.902 -1.252 -9.663 1.00 0.00 N ATOM 293 CA LYS A 20 -2.820 -2.337 -10.616 1.00 0.00 C ATOM 294 C LYS A 20 -1.813 -3.323 -10.032 1.00 0.00 C ATOM 295 O LYS A 20 -0.805 -2.903 -9.479 1.00 0.00 O ATOM 296 CB LYS A 20 -2.290 -1.787 -11.961 1.00 0.00 C ATOM 297 CG LYS A 20 -2.731 -0.347 -12.284 1.00 0.00 C ATOM 298 CD LYS A 20 -2.015 0.226 -13.510 1.00 0.00 C ATOM 299 CE LYS A 20 -2.110 1.755 -13.560 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.387 2.305 -14.700 1.00 0.00 N ATOM 0 H LYS A 20 -2.075 -0.655 -9.650 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.788 -2.807 -10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.201 -1.825 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.624 -2.444 -12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.807 -0.330 -12.455 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.535 0.291 -11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.967 -0.073 -13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.451 -0.195 -14.416 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.157 2.053 -13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.708 2.175 -12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.475 3.341 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.383 2.042 -14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.787 1.924 -15.581 1.00 0.00 H new ATOM 314 N ARG A 21 -2.137 -4.624 -10.157 1.00 0.00 N ATOM 315 CA ARG A 21 -1.224 -5.675 -9.678 1.00 0.00 C ATOM 316 C ARG A 21 0.243 -5.416 -10.121 1.00 0.00 C ATOM 317 O ARG A 21 0.625 -5.677 -11.255 1.00 0.00 O ATOM 318 CB ARG A 21 -1.698 -7.035 -10.219 1.00 0.00 C ATOM 319 CG ARG A 21 -0.972 -8.232 -9.584 1.00 0.00 C ATOM 320 CD ARG A 21 0.306 -8.672 -10.304 1.00 0.00 C ATOM 321 NE ARG A 21 0.860 -9.844 -9.634 1.00 0.00 N ATOM 322 CZ ARG A 21 2.064 -10.351 -9.969 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.811 -9.783 -10.907 1.00 0.00 N ATOM 324 NH2 ARG A 21 2.516 -11.435 -9.351 1.00 0.00 N ATOM 0 H ARG A 21 -3.002 -4.965 -10.575 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.242 -5.671 -8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.769 -7.134 -10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.549 -7.060 -11.298 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.722 -7.980 -8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.660 -9.077 -9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.088 -8.904 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.034 -7.861 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 21 0.322 -10.292 -8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.477 -8.948 -11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.719 -10.181 -11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.953 -11.881 -8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.426 -11.822 -9.601 1.00 0.00 H new ATOM 338 N GLY A 22 1.017 -4.895 -9.142 1.00 0.00 N ATOM 339 CA GLY A 22 2.428 -4.589 -9.338 1.00 0.00 C ATOM 340 C GLY A 22 2.794 -3.100 -9.232 1.00 0.00 C ATOM 341 O GLY A 22 3.900 -2.736 -9.615 1.00 0.00 O ATOM 0 H GLY A 22 0.672 -4.681 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.010 -5.143 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.729 -4.952 -10.321 1.00 0.00 H new ATOM 345 N ASP A 23 1.867 -2.244 -8.716 1.00 0.00 N ATOM 346 CA ASP A 23 2.233 -0.835 -8.600 1.00 0.00 C ATOM 347 C ASP A 23 3.238 -0.653 -7.448 1.00 0.00 C ATOM 348 O ASP A 23 3.382 -1.490 -6.566 1.00 0.00 O ATOM 349 CB ASP A 23 0.990 0.044 -8.328 1.00 0.00 C ATOM 350 CG ASP A 23 0.116 0.333 -9.567 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.379 -0.188 -10.650 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.825 1.113 -9.434 1.00 0.00 O ATOM 0 H ASP A 23 0.931 -2.495 -8.399 1.00 0.00 H new ATOM 0 HA ASP A 23 2.682 -0.524 -9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.375 -0.446 -7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.319 0.993 -7.904 1.00 0.00 H new ATOM 357 N ILE A 24 3.915 0.512 -7.544 1.00 0.00 N ATOM 358 CA ILE A 24 4.894 0.942 -6.552 1.00 0.00 C ATOM 359 C ILE A 24 4.161 2.006 -5.722 1.00 0.00 C ATOM 360 O ILE A 24 3.873 3.102 -6.189 1.00 0.00 O ATOM 361 CB ILE A 24 6.164 1.502 -7.229 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.835 0.426 -8.110 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.155 2.041 -6.181 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.006 0.953 -8.946 1.00 0.00 C ATOM 0 H ILE A 24 3.791 1.171 -8.313 1.00 0.00 H new ATOM 0 HA ILE A 24 5.246 0.121 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 24 5.865 2.331 -7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.191 -0.382 -7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.087 -0.001 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.041 2.430 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.682 2.840 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.445 1.236 -5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.426 0.140 -9.538 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.653 1.741 -9.611 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.774 1.354 -8.284 1.00 0.00 H new ATOM 376 N LEU A 25 3.866 1.587 -4.475 1.00 0.00 N ATOM 377 CA LEU A 25 3.134 2.410 -3.523 1.00 0.00 C ATOM 378 C LEU A 25 4.085 2.912 -2.458 1.00 0.00 C ATOM 379 O LEU A 25 5.187 2.412 -2.270 1.00 0.00 O ATOM 380 CB LEU A 25 2.042 1.557 -2.845 1.00 0.00 C ATOM 381 CG LEU A 25 0.989 1.069 -3.836 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.232 -0.390 -4.247 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.440 1.223 -3.310 1.00 0.00 C ATOM 0 H LEU A 25 4.132 0.672 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 25 2.681 3.252 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.505 0.699 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.558 2.144 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 25 1.092 1.709 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.462 -0.702 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.212 -0.477 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.194 -1.028 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.144 0.859 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.554 0.645 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.640 2.274 -3.104 1.00 0.00 H new ATOM 395 N LYS A 26 3.534 3.922 -1.764 1.00 0.00 N ATOM 396 CA LYS A 26 4.288 4.525 -0.669 1.00 0.00 C ATOM 397 C LYS A 26 3.418 4.680 0.563 1.00 0.00 C ATOM 398 O LYS A 26 2.613 5.588 0.673 1.00 0.00 O ATOM 399 CB LYS A 26 4.992 5.831 -1.060 1.00 0.00 C ATOM 400 CG LYS A 26 6.129 5.588 -2.064 1.00 0.00 C ATOM 401 CD LYS A 26 7.171 6.711 -2.093 1.00 0.00 C ATOM 402 CE LYS A 26 8.169 6.563 -0.944 1.00 0.00 C ATOM 403 NZ LYS A 26 9.063 7.704 -0.836 1.00 0.00 N ATOM 0 H LYS A 26 2.610 4.319 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 26 5.095 3.835 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.266 6.520 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.392 6.310 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.625 4.649 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.704 5.472 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.702 6.695 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.671 7.677 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.625 6.441 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.757 5.657 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.720 7.556 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.603 7.807 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.506 8.566 -0.668 1.00 0.00 H new ATOM 417 N VAL A 27 3.709 3.783 1.527 1.00 0.00 N ATOM 418 CA VAL A 27 2.961 3.775 2.765 1.00 0.00 C ATOM 419 C VAL A 27 3.706 4.754 3.679 1.00 0.00 C ATOM 420 O VAL A 27 4.815 4.553 4.158 1.00 0.00 O ATOM 421 CB VAL A 27 2.863 2.327 3.280 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.499 2.234 4.771 1.00 0.00 C ATOM 423 CG2 VAL A 27 1.822 1.562 2.443 1.00 0.00 C ATOM 0 H VAL A 27 4.442 3.077 1.460 1.00 0.00 H new ATOM 0 HA VAL A 27 1.924 4.102 2.682 1.00 0.00 H new ATOM 0 HB VAL A 27 3.852 1.881 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.447 1.187 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.260 2.742 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.532 2.708 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.748 0.536 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.851 2.050 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.128 1.558 1.397 1.00 0.00 H new ATOM 433 N LEU A 28 2.947 5.855 3.817 1.00 0.00 N ATOM 434 CA LEU A 28 3.333 7.032 4.564 1.00 0.00 C ATOM 435 C LEU A 28 2.870 6.894 6.014 1.00 0.00 C ATOM 436 O LEU A 28 3.528 7.347 6.941 1.00 0.00 O ATOM 437 CB LEU A 28 2.621 8.199 3.857 1.00 0.00 C ATOM 438 CG LEU A 28 2.810 9.579 4.511 1.00 0.00 C ATOM 439 CD1 LEU A 28 4.279 10.018 4.500 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.931 10.621 3.808 1.00 0.00 C ATOM 0 H LEU A 28 2.023 5.938 3.393 1.00 0.00 H new ATOM 0 HA LEU A 28 4.412 7.184 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.978 8.251 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.554 7.979 3.813 1.00 0.00 H new ATOM 0 HG LEU A 28 2.503 9.498 5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.370 10.997 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.879 9.294 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.634 10.076 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.073 11.594 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.211 10.683 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.884 10.328 3.889 1.00 0.00 H new ATOM 452 N ASN A 29 1.706 6.225 6.136 1.00 0.00 N ATOM 453 CA ASN A 29 1.129 6.002 7.449 1.00 0.00 C ATOM 454 C ASN A 29 0.084 4.876 7.363 1.00 0.00 C ATOM 455 O ASN A 29 -0.197 4.304 6.317 1.00 0.00 O ATOM 456 CB ASN A 29 0.552 7.321 8.013 1.00 0.00 C ATOM 457 CG ASN A 29 -0.636 7.866 7.210 1.00 0.00 C ATOM 458 OD1 ASN A 29 -1.787 7.678 7.576 1.00 0.00 O ATOM 459 ND2 ASN A 29 -0.294 8.562 6.114 1.00 0.00 N ATOM 0 H ASN A 29 1.170 5.844 5.356 1.00 0.00 H new ATOM 0 HA ASN A 29 1.899 5.679 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.239 7.159 9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.341 8.073 8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.018 8.975 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.690 8.678 5.870 1.00 0.00 H new ATOM 536 N ASN A 35 -5.903 -3.222 8.637 1.00 0.00 N ATOM 537 CA ASN A 35 -6.577 -3.753 7.476 1.00 0.00 C ATOM 538 C ASN A 35 -6.434 -2.774 6.294 1.00 0.00 C ATOM 539 O ASN A 35 -6.565 -3.198 5.154 1.00 0.00 O ATOM 540 CB ASN A 35 -8.067 -3.955 7.799 1.00 0.00 C ATOM 541 CG ASN A 35 -8.346 -5.288 8.491 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.119 -6.304 7.661 1.00 0.00 O flip ATOM 543 ND2 ASN A 35 -8.727 -5.377 9.650 1.00 0.00 N flip ATOM 0 HA ASN A 35 -6.128 -4.709 7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.410 -3.141 8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.645 -3.902 6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.872 -4.534 10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.900 -6.294 10.061 1.00 0.00 H new ATOM 550 N TRP A 36 -6.179 -1.470 6.594 1.00 0.00 N ATOM 551 CA TRP A 36 -6.028 -0.481 5.523 1.00 0.00 C ATOM 552 C TRP A 36 -4.858 0.472 5.842 1.00 0.00 C ATOM 553 O TRP A 36 -4.691 0.913 6.971 1.00 0.00 O ATOM 554 CB TRP A 36 -7.307 0.377 5.387 1.00 0.00 C ATOM 555 CG TRP A 36 -8.516 -0.484 5.084 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.204 -1.291 5.997 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.135 -0.704 3.800 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.168 -1.983 5.349 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.158 -1.658 3.999 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.914 -0.197 2.546 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.915 -2.074 2.943 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.686 -0.623 1.467 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.690 -1.563 1.665 1.00 0.00 C ATOM 0 H TRP A 36 -6.079 -1.101 7.540 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.841 -1.024 4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.475 0.932 6.310 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.172 1.111 4.593 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.997 -1.352 7.055 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.808 -2.646 5.787 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.137 0.537 2.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.695 -2.805 3.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.505 -0.224 0.480 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.293 -1.896 0.833 1.00 0.00 H new ATOM 574 N TYR A 37 -4.063 0.748 4.788 1.00 0.00 N ATOM 575 CA TYR A 37 -2.919 1.658 4.888 1.00 0.00 C ATOM 576 C TYR A 37 -3.212 2.898 4.055 1.00 0.00 C ATOM 577 O TYR A 37 -3.862 2.817 3.025 1.00 0.00 O ATOM 578 CB TYR A 37 -1.643 1.061 4.269 1.00 0.00 C ATOM 579 CG TYR A 37 -1.244 -0.252 4.867 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.336 -0.454 6.235 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.759 -1.273 4.060 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.948 -1.647 6.809 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.362 -2.479 4.615 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.447 -2.680 5.999 1.00 0.00 C ATOM 585 OH TYR A 37 -0.055 -3.904 6.528 1.00 0.00 O ATOM 0 H TYR A 37 -4.198 0.349 3.859 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.769 1.861 5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.795 0.931 3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.824 1.770 4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.718 0.337 6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.691 -1.126 2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.029 -1.786 7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.014 -3.266 3.979 1.00 0.00 H new ATOM 0 HH TYR A 37 0.262 -4.486 5.806 1.00 0.00 H new ATOM 595 N LYS A 38 -2.657 4.030 4.528 1.00 0.00 N ATOM 596 CA LYS A 38 -2.821 5.276 3.799 1.00 0.00 C ATOM 597 C LYS A 38 -1.495 5.504 3.054 1.00 0.00 C ATOM 598 O LYS A 38 -0.534 6.042 3.597 1.00 0.00 O ATOM 599 CB LYS A 38 -3.147 6.403 4.775 1.00 0.00 C ATOM 600 CG LYS A 38 -3.596 7.666 4.046 1.00 0.00 C ATOM 601 CD LYS A 38 -4.166 8.698 5.017 1.00 0.00 C ATOM 602 CE LYS A 38 -4.913 9.804 4.277 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.566 10.739 5.186 1.00 0.00 N ATOM 0 H LYS A 38 -2.110 4.097 5.386 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.646 5.244 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.932 6.078 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.269 6.625 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.751 8.097 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.350 7.410 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.841 8.207 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.357 9.133 5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.214 10.348 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.660 9.358 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.059 11.471 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.253 10.227 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.852 11.187 5.795 1.00 0.00 H new ATOM 617 N ALA A 39 -1.510 5.016 1.789 1.00 0.00 N ATOM 618 CA ALA A 39 -0.333 5.089 0.925 1.00 0.00 C ATOM 619 C ALA A 39 -0.481 6.166 -0.152 1.00 0.00 C ATOM 620 O ALA A 39 -1.451 6.909 -0.169 1.00 0.00 O ATOM 621 CB ALA A 39 -0.136 3.705 0.293 1.00 0.00 C ATOM 0 H ALA A 39 -2.322 4.574 1.359 1.00 0.00 H new ATOM 0 HA ALA A 39 0.539 5.369 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.737 3.724 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.015 2.964 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.019 3.442 -0.289 1.00 0.00 H new ATOM 627 N GLU A 40 0.534 6.189 -1.057 1.00 0.00 N ATOM 628 CA GLU A 40 0.527 7.168 -2.143 1.00 0.00 C ATOM 629 C GLU A 40 0.776 6.464 -3.483 1.00 0.00 C ATOM 630 O GLU A 40 1.659 5.625 -3.627 1.00 0.00 O ATOM 631 CB GLU A 40 1.602 8.241 -1.876 1.00 0.00 C ATOM 632 CG GLU A 40 1.537 9.507 -2.765 1.00 0.00 C ATOM 633 CD GLU A 40 1.938 9.289 -4.244 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.015 8.738 -4.485 1.00 0.00 O ATOM 635 OE2 GLU A 40 1.175 9.676 -5.134 1.00 0.00 O ATOM 0 H GLU A 40 1.335 5.558 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.447 7.656 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.527 8.550 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.583 7.783 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.522 9.903 -2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.189 10.268 -2.336 1.00 0.00 H new ATOM 642 N LEU A 41 -0.075 6.886 -4.434 1.00 0.00 N ATOM 643 CA LEU A 41 -0.017 6.415 -5.804 1.00 0.00 C ATOM 644 C LEU A 41 -0.737 7.332 -6.761 1.00 0.00 C ATOM 645 O LEU A 41 -1.825 7.833 -6.514 1.00 0.00 O ATOM 646 CB LEU A 41 -0.844 5.138 -6.019 1.00 0.00 C ATOM 647 CG LEU A 41 -0.142 3.817 -5.817 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.205 2.743 -5.992 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.904 3.639 -6.914 1.00 0.00 C ATOM 0 H LEU A 41 -0.818 7.563 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 41 1.054 6.312 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.699 5.172 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.239 5.159 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 41 0.341 3.764 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.755 1.760 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.992 2.886 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.631 2.812 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.417 2.687 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.415 3.651 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.628 4.452 -6.862 1.00 0.00 H new ATOM 661 N ASN A 42 -0.046 7.405 -7.913 1.00 0.00 N ATOM 662 CA ASN A 42 -0.602 8.062 -9.076 1.00 0.00 C ATOM 663 C ASN A 42 -1.072 9.514 -8.832 1.00 0.00 C ATOM 664 O ASN A 42 -2.094 9.959 -9.342 1.00 0.00 O ATOM 665 CB ASN A 42 -1.707 7.066 -9.512 1.00 0.00 C ATOM 666 CG ASN A 42 -1.661 6.745 -11.001 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.089 7.504 -11.862 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.095 5.545 -11.215 1.00 0.00 N ATOM 0 H ASN A 42 0.888 7.017 -8.048 1.00 0.00 H new ATOM 0 HA ASN A 42 0.130 8.244 -9.863 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.602 6.142 -8.943 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.683 7.483 -9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.991 5.193 -12.167 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.769 4.987 -10.426 1.00 0.00 H new ATOM 675 N GLY A 43 -0.253 10.204 -8.008 1.00 0.00 N ATOM 676 CA GLY A 43 -0.519 11.593 -7.652 1.00 0.00 C ATOM 677 C GLY A 43 -1.696 11.770 -6.678 1.00 0.00 C ATOM 678 O GLY A 43 -2.260 12.853 -6.571 1.00 0.00 O ATOM 0 H GLY A 43 0.590 9.814 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.378 12.022 -7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.724 12.158 -8.561 1.00 0.00 H new ATOM 682 N LYS A 44 -2.041 10.656 -5.991 1.00 0.00 N ATOM 683 CA LYS A 44 -3.127 10.637 -5.030 1.00 0.00 C ATOM 684 C LYS A 44 -2.637 9.895 -3.781 1.00 0.00 C ATOM 685 O LYS A 44 -1.577 9.287 -3.771 1.00 0.00 O ATOM 686 CB LYS A 44 -4.319 9.916 -5.685 1.00 0.00 C ATOM 687 CG LYS A 44 -4.873 10.701 -6.879 1.00 0.00 C ATOM 688 CD LYS A 44 -6.116 10.052 -7.497 1.00 0.00 C ATOM 689 CE LYS A 44 -6.618 10.832 -8.714 1.00 0.00 C ATOM 690 NZ LYS A 44 -5.660 10.808 -9.817 1.00 0.00 N ATOM 0 H LYS A 44 -1.567 9.759 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.441 11.639 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.008 8.925 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.108 9.773 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.120 11.713 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.098 10.788 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.883 9.029 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.907 9.996 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.566 10.410 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.813 11.865 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.115 11.167 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.844 11.408 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.338 9.832 -9.976 1.00 0.00 H new ATOM 704 N ASP A 45 -3.491 9.977 -2.749 1.00 0.00 N ATOM 705 CA ASP A 45 -3.226 9.326 -1.465 1.00 0.00 C ATOM 706 C ASP A 45 -4.572 8.766 -0.968 1.00 0.00 C ATOM 707 O ASP A 45 -5.616 9.391 -1.120 1.00 0.00 O ATOM 708 CB ASP A 45 -2.593 10.310 -0.462 1.00 0.00 C ATOM 709 CG ASP A 45 -3.546 11.454 -0.059 1.00 0.00 C ATOM 710 OD1 ASP A 45 -4.289 11.296 0.913 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.531 12.491 -0.716 1.00 0.00 O ATOM 0 H ASP A 45 -4.372 10.490 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.503 8.518 -1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.290 9.765 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.689 10.734 -0.899 1.00 0.00 H new ATOM 716 N GLY A 46 -4.502 7.547 -0.401 1.00 0.00 N ATOM 717 CA GLY A 46 -5.756 6.946 0.032 1.00 0.00 C ATOM 718 C GLY A 46 -5.541 5.604 0.699 1.00 0.00 C ATOM 719 O GLY A 46 -4.437 5.079 0.776 1.00 0.00 O ATOM 0 H GLY A 46 -3.655 7.001 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.260 7.619 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.415 6.822 -0.828 1.00 0.00 H new ATOM 723 N PHE A 47 -6.694 5.083 1.149 1.00 0.00 N ATOM 724 CA PHE A 47 -6.718 3.803 1.830 1.00 0.00 C ATOM 725 C PHE A 47 -6.663 2.658 0.810 1.00 0.00 C ATOM 726 O PHE A 47 -7.252 2.698 -0.262 1.00 0.00 O ATOM 727 CB PHE A 47 -7.960 3.752 2.717 1.00 0.00 C ATOM 728 CG PHE A 47 -7.838 4.791 3.801 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.080 4.542 4.942 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.451 6.030 3.659 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.930 5.522 5.917 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.301 7.010 4.628 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.539 6.758 5.760 1.00 0.00 C ATOM 0 H PHE A 47 -7.605 5.531 1.050 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.842 3.684 2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.855 3.934 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.067 2.761 3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.605 3.581 5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.051 6.232 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.338 5.320 6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.778 7.971 4.502 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.421 7.521 6.515 1.00 0.00 H new ATOM 743 N ILE A 48 -5.869 1.654 1.218 1.00 0.00 N ATOM 744 CA ILE A 48 -5.655 0.459 0.412 1.00 0.00 C ATOM 745 C ILE A 48 -5.654 -0.744 1.374 1.00 0.00 C ATOM 746 O ILE A 48 -5.121 -0.641 2.466 1.00 0.00 O ATOM 747 CB ILE A 48 -4.321 0.572 -0.352 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.120 0.911 0.565 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.411 1.595 -1.498 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.955 -0.067 0.438 1.00 0.00 C ATOM 0 H ILE A 48 -5.367 1.655 2.106 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.441 0.336 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.140 -0.418 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.767 1.915 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.458 0.926 1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.453 1.648 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.185 1.287 -2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.659 2.576 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.152 0.235 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.291 -1.070 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.589 -0.066 -0.589 1.00 0.00 H new ATOM 762 N PRO A 49 -6.258 -1.893 0.960 1.00 0.00 N ATOM 763 CA PRO A 49 -6.321 -3.080 1.814 1.00 0.00 C ATOM 764 C PRO A 49 -4.965 -3.776 1.969 1.00 0.00 C ATOM 765 O PRO A 49 -4.287 -4.026 0.980 1.00 0.00 O ATOM 766 CB PRO A 49 -7.298 -4.019 1.108 1.00 0.00 C ATOM 767 CG PRO A 49 -7.479 -3.484 -0.315 1.00 0.00 C ATOM 768 CD PRO A 49 -6.896 -2.073 -0.341 1.00 0.00 C ATOM 0 HA PRO A 49 -6.629 -2.805 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.911 -5.038 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.252 -4.049 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.970 -4.125 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.534 -3.470 -0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.175 -1.961 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.676 -1.329 -0.503 1.00 0.00 H new ATOM 776 N LYS A 50 -4.616 -4.119 3.237 1.00 0.00 N ATOM 777 CA LYS A 50 -3.320 -4.770 3.405 1.00 0.00 C ATOM 778 C LYS A 50 -3.280 -6.233 2.891 1.00 0.00 C ATOM 779 O LYS A 50 -2.192 -6.762 2.710 1.00 0.00 O ATOM 780 CB LYS A 50 -2.845 -4.641 4.847 1.00 0.00 C ATOM 781 CG LYS A 50 -3.767 -5.378 5.788 1.00 0.00 C ATOM 782 CD LYS A 50 -3.261 -5.384 7.237 1.00 0.00 C ATOM 783 CE LYS A 50 -3.946 -6.462 8.081 1.00 0.00 C ATOM 784 NZ LYS A 50 -3.522 -7.804 7.692 1.00 0.00 N ATOM 0 H LYS A 50 -5.168 -3.967 4.081 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.615 -4.241 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.834 -5.038 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.800 -3.588 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.755 -4.918 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.883 -6.406 5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.184 -5.549 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.437 -4.406 7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.717 -6.299 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.027 -6.376 7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.752 -8.475 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.016 -8.085 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.496 -7.809 7.525 1.00 0.00 H new ATOM 798 N ASN A 51 -4.458 -6.874 2.650 1.00 0.00 N ATOM 799 CA ASN A 51 -4.395 -8.250 2.114 1.00 0.00 C ATOM 800 C ASN A 51 -4.170 -8.259 0.586 1.00 0.00 C ATOM 801 O ASN A 51 -3.880 -9.299 0.006 1.00 0.00 O ATOM 802 CB ASN A 51 -5.489 -9.217 2.602 1.00 0.00 C ATOM 803 CG ASN A 51 -6.927 -8.709 2.598 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.496 -8.479 3.651 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.502 -8.578 1.399 1.00 0.00 N ATOM 0 H ASN A 51 -5.391 -6.492 2.805 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.505 -8.685 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.447 -10.113 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.242 -9.520 3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.472 -8.270 1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.971 -8.786 0.553 1.00 0.00 H new ATOM 812 N TYR A 52 -4.256 -7.053 -0.022 1.00 0.00 N ATOM 813 CA TYR A 52 -4.004 -6.948 -1.460 1.00 0.00 C ATOM 814 C TYR A 52 -2.542 -6.559 -1.757 1.00 0.00 C ATOM 815 O TYR A 52 -2.137 -6.600 -2.910 1.00 0.00 O ATOM 816 CB TYR A 52 -4.909 -5.853 -2.046 1.00 0.00 C ATOM 817 CG TYR A 52 -6.243 -6.413 -2.429 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.109 -6.881 -1.454 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.616 -6.493 -3.761 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.315 -7.464 -1.794 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.815 -7.074 -4.123 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.667 -7.585 -3.151 1.00 0.00 C ATOM 823 OH TYR A 52 -9.840 -8.181 -3.584 1.00 0.00 O ATOM 0 H TYR A 52 -4.489 -6.177 0.446 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.208 -7.922 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.041 -5.055 -1.315 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.431 -5.410 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.838 -6.789 -0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.962 -6.097 -4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.982 -7.824 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.092 -7.132 -5.165 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.887 -9.098 -3.241 1.00 0.00 H new ATOM 833 N ILE A 53 -1.782 -6.183 -0.695 1.00 0.00 N ATOM 834 CA ILE A 53 -0.375 -5.780 -0.884 1.00 0.00 C ATOM 835 C ILE A 53 0.594 -6.483 0.111 1.00 0.00 C ATOM 836 O ILE A 53 0.219 -7.002 1.153 1.00 0.00 O ATOM 837 CB ILE A 53 -0.241 -4.221 -0.863 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.947 -3.701 -0.028 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.535 -3.498 -0.482 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.079 -2.205 0.104 1.00 0.00 C ATOM 0 H ILE A 53 -2.112 -6.152 0.270 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.065 -6.123 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.026 -3.971 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.871 -4.125 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.867 -4.086 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.366 -2.421 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.316 -3.747 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.846 -3.810 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.951 -1.969 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.196 -1.761 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.185 -1.801 0.579 1.00 0.00 H new ATOM 852 N GLU A 54 1.873 -6.425 -0.332 1.00 0.00 N ATOM 853 CA GLU A 54 3.071 -6.876 0.364 1.00 0.00 C ATOM 854 C GLU A 54 3.768 -5.564 0.794 1.00 0.00 C ATOM 855 O GLU A 54 3.961 -4.675 -0.024 1.00 0.00 O ATOM 856 CB GLU A 54 3.973 -7.663 -0.595 1.00 0.00 C ATOM 857 CG GLU A 54 5.289 -8.118 0.063 1.00 0.00 C ATOM 858 CD GLU A 54 6.190 -8.955 -0.866 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.674 -9.608 -1.772 1.00 0.00 O ATOM 860 OE2 GLU A 54 7.406 -8.949 -0.668 1.00 0.00 O ATOM 0 H GLU A 54 2.094 -6.033 -1.247 1.00 0.00 H new ATOM 0 HA GLU A 54 2.850 -7.533 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.433 -8.537 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.201 -7.044 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.842 -7.239 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.057 -8.703 0.953 1.00 0.00 H new ATOM 927 N VAL B 1 -7.820 -15.177 -8.120 1.00 0.00 N ATOM 928 CA VAL B 1 -8.923 -14.235 -7.934 1.00 0.00 C ATOM 929 C VAL B 1 -8.611 -13.366 -6.688 1.00 0.00 C ATOM 930 O VAL B 1 -8.456 -13.894 -5.594 1.00 0.00 O ATOM 931 CB VAL B 1 -10.267 -14.980 -7.807 1.00 0.00 C ATOM 932 CG1 VAL B 1 -10.312 -16.012 -6.669 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.442 -13.996 -7.694 1.00 0.00 C ATOM 0 H1 VAL B 1 -8.046 -15.827 -8.900 1.00 0.00 H new ATOM 0 H2 VAL B 1 -6.951 -14.653 -8.347 1.00 0.00 H new ATOM 0 H3 VAL B 1 -7.677 -15.722 -7.245 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.019 -13.585 -8.804 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.365 -15.551 -8.731 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -11.291 -16.490 -6.650 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -9.543 -16.767 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -10.133 -15.512 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.375 -14.552 -7.606 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.308 -13.369 -6.812 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -11.477 -13.367 -8.584 1.00 0.00 H new ATOM 943 N PRO B 2 -8.495 -12.018 -6.877 1.00 0.00 N ATOM 944 CA PRO B 2 -8.182 -11.126 -5.763 1.00 0.00 C ATOM 945 C PRO B 2 -9.042 -11.327 -4.454 1.00 0.00 C ATOM 946 O PRO B 2 -10.264 -11.381 -4.513 1.00 0.00 O ATOM 947 CB PRO B 2 -8.149 -9.735 -6.412 1.00 0.00 C ATOM 948 CG PRO B 2 -7.852 -9.978 -7.883 1.00 0.00 C ATOM 949 CD PRO B 2 -8.515 -11.321 -8.169 1.00 0.00 C ATOM 0 HA PRO B 2 -7.221 -11.345 -5.299 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.101 -9.220 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.383 -9.108 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.263 -9.187 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.780 -10.012 -8.075 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.533 -11.192 -8.536 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.971 -11.879 -8.931 1.00 0.00 H new ATOM 957 N PRO B 3 -8.333 -11.457 -3.276 1.00 0.00 N ATOM 958 CA PRO B 3 -8.893 -11.709 -1.930 1.00 0.00 C ATOM 959 C PRO B 3 -10.151 -10.951 -1.466 1.00 0.00 C ATOM 960 O PRO B 3 -10.525 -9.921 -1.995 1.00 0.00 O ATOM 961 CB PRO B 3 -7.743 -11.251 -1.004 1.00 0.00 C ATOM 962 CG PRO B 3 -6.475 -11.562 -1.777 1.00 0.00 C ATOM 963 CD PRO B 3 -6.873 -11.336 -3.226 1.00 0.00 C ATOM 0 HA PRO B 3 -9.224 -12.747 -1.920 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.817 -10.187 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.766 -11.782 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.655 -10.909 -1.480 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.144 -12.587 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.553 -10.352 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.400 -12.070 -3.878 1.00 0.00 H new ATOM 971 N PRO B 4 -10.817 -11.484 -0.409 1.00 0.00 N ATOM 972 CA PRO B 4 -11.963 -10.781 0.164 1.00 0.00 C ATOM 973 C PRO B 4 -11.400 -9.604 0.973 1.00 0.00 C ATOM 974 O PRO B 4 -10.732 -9.756 1.991 1.00 0.00 O ATOM 975 CB PRO B 4 -12.618 -11.835 1.064 1.00 0.00 C ATOM 976 CG PRO B 4 -11.486 -12.803 1.428 1.00 0.00 C ATOM 977 CD PRO B 4 -10.533 -12.767 0.228 1.00 0.00 C ATOM 0 HA PRO B 4 -12.681 -10.382 -0.553 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.050 -11.380 1.955 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.426 -12.350 0.545 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -10.981 -12.493 2.343 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -11.867 -13.810 1.599 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.492 -12.835 0.543 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.715 -13.599 -0.452 1.00 0.00 H new ATOM 985 N VAL B 5 -11.705 -8.427 0.403 1.00 0.00 N ATOM 986 CA VAL B 5 -11.259 -7.162 0.954 1.00 0.00 C ATOM 987 C VAL B 5 -11.861 -6.964 2.371 1.00 0.00 C ATOM 988 O VAL B 5 -13.030 -7.263 2.583 1.00 0.00 O ATOM 989 CB VAL B 5 -11.611 -6.022 0.010 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.688 -4.820 0.245 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.605 -6.324 -1.495 1.00 0.00 C ATOM 0 H VAL B 5 -12.264 -8.338 -0.446 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.174 -7.167 1.057 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.651 -5.820 0.267 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.956 -4.016 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.797 -4.473 1.273 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.654 -5.116 0.070 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.873 -5.424 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.610 -6.652 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.327 -7.111 -1.711 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.037 -6.464 3.338 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.519 -6.243 4.702 1.00 0.00 C ATOM 1003 C PRO B 6 -12.690 -5.251 4.825 1.00 0.00 C ATOM 1004 O PRO B 6 -12.970 -4.475 3.922 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.315 -5.620 5.428 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.089 -5.968 4.594 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.623 -6.118 3.173 1.00 0.00 C ATOM 0 HA PRO B 6 -11.889 -7.187 5.101 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.431 -4.540 5.518 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.223 -6.016 6.439 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.333 -5.185 4.653 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.621 -6.889 4.941 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.506 -5.194 2.607 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.087 -6.895 2.629 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.376 -5.310 5.992 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.452 -4.373 6.275 1.00 0.00 C ATOM 1017 C PRO B 7 -13.842 -3.066 6.842 1.00 0.00 C ATOM 1018 O PRO B 7 -13.300 -3.040 7.941 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.256 -5.082 7.369 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.234 -5.972 8.090 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.236 -6.363 6.999 1.00 0.00 C ATOM 0 HA PRO B 7 -15.051 -4.113 5.402 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.710 -4.366 8.054 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.066 -5.674 6.944 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.744 -5.437 8.903 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.710 -6.850 8.527 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.219 -6.410 7.388 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.464 -7.345 6.584 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.953 -1.997 6.024 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.451 -0.687 6.453 1.00 0.00 C ATOM 1031 C ARG B 8 -14.546 -0.044 7.319 1.00 0.00 C ATOM 1032 O ARG B 8 -15.687 0.109 6.897 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.044 0.239 5.288 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.822 0.060 3.972 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.192 1.386 3.308 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.161 2.109 4.122 1.00 0.00 N ATOM 1037 CZ ARG B 8 -15.770 3.217 3.654 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -15.501 3.682 2.440 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -16.650 3.856 4.411 1.00 0.00 N ATOM 0 H ARG B 8 -14.372 -2.017 5.094 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.530 -0.833 7.017 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -13.159 1.272 5.616 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.985 0.086 5.083 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.222 -0.531 3.280 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.732 -0.507 4.169 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -13.297 1.993 3.171 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -14.606 1.201 2.317 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.382 1.772 5.059 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -14.825 3.200 1.847 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -15.970 4.522 2.100 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.865 3.509 5.346 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.112 4.694 4.059 1.00 0.00 H new