USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 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 2 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.033) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.4!) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.12 (180deg=-0.7) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= 1.15 (180deg=0.482) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 27 SER OG : rot -78:sc= -11.5! USER MOD Single : A 28 HIS : no HD1:sc= -2.99! K(o=-3!,f=-1.5) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= -2.58! (180deg=-5.92!) USER MOD Single : A 36 ASN : amide:sc= -20.8! C(o=-21!,f=-14!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.301 K(o=0.3,f=-0.73) USER MOD Single : A 58 HIS : no HD1:sc= -0.969! K(o=-0.97!,f=-0.055) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -5.62! K(o=-5.6!,f=-0.91) USER MOD Single : A 65 SER OG : rot -167:sc= -2.89! USER MOD Single : A 72 TYR OH : rot 130:sc= -4.01! USER MOD Single : A 75 GLN : amide:sc= -3.71! C(o=-3.7!,f=-2.7!) USER MOD Single : A 76 ASN : amide:sc= -5.12! K(o=-5.1!,f=-3.1) USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.143) USER MOD Single : A 80 LYS NZ :NH3+ -95:sc= -0.474 (180deg=-1.44!) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -3.217 -6.907 12.405 1.00 0.00 N ATOM 21 CA ASN A 2 -2.593 -5.662 12.838 1.00 0.00 C ATOM 22 C ASN A 2 -1.369 -5.343 11.990 1.00 0.00 C ATOM 23 O ASN A 2 -1.037 -4.179 11.769 1.00 0.00 O ATOM 24 CB ASN A 2 -2.195 -5.745 14.311 1.00 0.00 C ATOM 25 CG ASN A 2 -3.398 -5.780 15.234 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.256 -5.803 16.457 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.591 -5.787 14.652 1.00 0.00 N ATOM 0 HA ASN A 2 -3.322 -4.862 12.712 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.591 -6.638 14.472 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.571 -4.888 14.565 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.436 -5.812 15.222 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.662 -5.767 13.635 1.00 0.00 H new ATOM 34 N ASP A 3 -0.699 -6.388 11.528 1.00 0.00 N ATOM 35 CA ASP A 3 0.499 -6.236 10.711 1.00 0.00 C ATOM 36 C ASP A 3 0.255 -5.301 9.532 1.00 0.00 C ATOM 37 O ASP A 3 1.186 -4.677 9.021 1.00 0.00 O ATOM 38 CB ASP A 3 0.973 -7.599 10.205 1.00 0.00 C ATOM 39 CG ASP A 3 -0.104 -8.661 10.310 1.00 0.00 C ATOM 40 OD1 ASP A 3 -0.808 -8.693 11.343 1.00 0.00 O ATOM 41 OD2 ASP A 3 -0.244 -9.460 9.361 1.00 0.00 O ATOM 0 H ASP A 3 -0.965 -7.356 11.705 1.00 0.00 H new ATOM 0 HA ASP A 3 1.274 -5.795 11.338 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.289 -7.508 9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.846 -7.913 10.778 1.00 0.00 H new ATOM 46 N VAL A 4 -0.995 -5.211 9.096 1.00 0.00 N ATOM 47 CA VAL A 4 -1.346 -4.354 7.971 1.00 0.00 C ATOM 48 C VAL A 4 -1.189 -2.878 8.327 1.00 0.00 C ATOM 49 O VAL A 4 -0.463 -2.146 7.661 1.00 0.00 O ATOM 50 CB VAL A 4 -2.785 -4.611 7.499 1.00 0.00 C ATOM 51 CG1 VAL A 4 -3.584 -3.317 7.470 1.00 0.00 C ATOM 52 CG2 VAL A 4 -2.788 -5.279 6.132 1.00 0.00 C ATOM 0 H VAL A 4 -1.780 -5.719 9.503 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.658 -4.599 7.162 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.262 -5.286 8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.600 -3.524 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.615 -2.886 8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.111 -2.613 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.816 -5.453 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.290 -4.632 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.260 -6.231 6.191 1.00 0.00 H new ATOM 62 N LEU A 5 -1.866 -2.451 9.387 1.00 0.00 N ATOM 63 CA LEU A 5 -1.791 -1.070 9.840 1.00 0.00 C ATOM 64 C LEU A 5 -0.407 -0.755 10.388 1.00 0.00 C ATOM 65 O LEU A 5 0.087 0.360 10.261 1.00 0.00 O ATOM 66 CB LEU A 5 -2.852 -0.790 10.901 1.00 0.00 C ATOM 67 CG LEU A 5 -3.948 -1.850 11.019 1.00 0.00 C ATOM 68 CD1 LEU A 5 -3.592 -2.866 12.089 1.00 0.00 C ATOM 69 CD2 LEU A 5 -5.288 -1.196 11.326 1.00 0.00 C ATOM 0 H LEU A 5 -2.475 -3.045 9.950 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.979 -0.425 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.359 -0.690 11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.319 0.170 10.681 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.030 -2.371 10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.383 -3.613 12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.653 -3.355 11.828 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.484 -2.361 13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.058 -1.964 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.219 -0.650 12.267 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.548 -0.505 10.524 1.00 0.00 H new ATOM 81 N THR A 6 0.203 -1.747 11.015 1.00 0.00 N ATOM 82 CA THR A 6 1.526 -1.584 11.603 1.00 0.00 C ATOM 83 C THR A 6 2.569 -1.221 10.551 1.00 0.00 C ATOM 84 O THR A 6 3.268 -0.215 10.672 1.00 0.00 O ATOM 85 CB THR A 6 1.945 -2.863 12.326 1.00 0.00 C ATOM 86 OG1 THR A 6 2.309 -2.584 13.666 1.00 0.00 O ATOM 87 CG2 THR A 6 3.115 -3.559 11.670 1.00 0.00 C ATOM 0 H THR A 6 -0.197 -2.678 11.131 1.00 0.00 H new ATOM 0 HA THR A 6 1.468 -0.764 12.318 1.00 0.00 H new ATOM 0 HB THR A 6 1.077 -3.521 12.282 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.573 -3.415 14.113 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.364 -4.460 12.231 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.851 -3.830 10.648 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.976 -2.890 11.657 1.00 0.00 H new ATOM 95 N ARG A 7 2.674 -2.055 9.528 1.00 0.00 N ATOM 96 CA ARG A 7 3.633 -1.843 8.458 1.00 0.00 C ATOM 97 C ARG A 7 3.152 -0.765 7.499 1.00 0.00 C ATOM 98 O ARG A 7 3.906 0.135 7.129 1.00 0.00 O ATOM 99 CB ARG A 7 3.877 -3.148 7.697 1.00 0.00 C ATOM 100 CG ARG A 7 3.560 -3.057 6.214 1.00 0.00 C ATOM 101 CD ARG A 7 4.699 -2.415 5.439 1.00 0.00 C ATOM 102 NE ARG A 7 5.425 -3.388 4.628 1.00 0.00 N ATOM 103 CZ ARG A 7 6.457 -4.096 5.077 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.879 -3.939 6.324 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.066 -4.962 4.279 1.00 0.00 N ATOM 0 H ARG A 7 2.101 -2.892 9.417 1.00 0.00 H new ATOM 0 HA ARG A 7 4.569 -1.511 8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.920 -3.440 7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.270 -3.937 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.368 -4.055 5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.649 -2.477 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.302 -1.630 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.388 -1.938 6.136 1.00 0.00 H new ATOM 0 HE ARG A 7 5.124 -3.533 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.412 -3.274 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.671 -4.483 6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.743 -5.086 3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.858 -5.505 4.625 1.00 0.00 H new ATOM 119 N VAL A 8 1.893 -0.864 7.099 1.00 0.00 N ATOM 120 CA VAL A 8 1.311 0.099 6.180 1.00 0.00 C ATOM 121 C VAL A 8 1.350 1.504 6.769 1.00 0.00 C ATOM 122 O VAL A 8 1.801 2.450 6.122 1.00 0.00 O ATOM 123 CB VAL A 8 -0.145 -0.261 5.829 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.114 0.456 6.755 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.441 0.071 4.375 1.00 0.00 C ATOM 0 H VAL A 8 1.256 -1.602 7.397 1.00 0.00 H new ATOM 0 HA VAL A 8 1.909 0.070 5.269 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.276 -1.334 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.137 0.188 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.917 0.162 7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.984 1.533 6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.474 -0.190 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.290 1.137 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.229 -0.496 3.729 1.00 0.00 H new ATOM 135 N LEU A 9 0.876 1.631 8.004 1.00 0.00 N ATOM 136 CA LEU A 9 0.859 2.919 8.691 1.00 0.00 C ATOM 137 C LEU A 9 2.257 3.523 8.753 1.00 0.00 C ATOM 138 O LEU A 9 2.443 4.712 8.493 1.00 0.00 O ATOM 139 CB LEU A 9 0.314 2.753 10.111 1.00 0.00 C ATOM 140 CG LEU A 9 1.329 2.243 11.132 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.280 3.358 11.542 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.619 1.674 12.349 1.00 0.00 C ATOM 0 H LEU A 9 0.498 0.857 8.551 1.00 0.00 H new ATOM 0 HA LEU A 9 0.212 3.591 8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.071 3.714 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.530 2.063 10.083 1.00 0.00 H new ATOM 0 HG LEU A 9 1.912 1.447 10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.996 2.976 12.270 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.814 3.722 10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.712 4.176 11.986 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.357 1.315 13.066 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.011 2.451 12.812 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.021 0.847 12.043 1.00 0.00 H new ATOM 154 N GLU A 10 3.237 2.697 9.105 1.00 0.00 N ATOM 155 CA GLU A 10 4.619 3.149 9.208 1.00 0.00 C ATOM 156 C GLU A 10 5.115 3.708 7.882 1.00 0.00 C ATOM 157 O GLU A 10 5.920 4.639 7.849 1.00 0.00 O ATOM 158 CB GLU A 10 5.523 2.003 9.664 1.00 0.00 C ATOM 159 CG GLU A 10 5.548 0.828 8.702 1.00 0.00 C ATOM 160 CD GLU A 10 6.822 0.012 8.807 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.692 0.375 9.628 1.00 0.00 O ATOM 162 OE2 GLU A 10 6.951 -0.987 8.070 1.00 0.00 O ATOM 0 H GLU A 10 3.099 1.710 9.324 1.00 0.00 H new ATOM 0 HA GLU A 10 4.655 3.947 9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.538 2.380 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.189 1.655 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.691 0.184 8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.441 1.197 7.682 1.00 0.00 H new ATOM 169 N VAL A 11 4.630 3.132 6.792 1.00 0.00 N ATOM 170 CA VAL A 11 5.026 3.567 5.459 1.00 0.00 C ATOM 171 C VAL A 11 4.587 4.995 5.181 1.00 0.00 C ATOM 172 O VAL A 11 5.342 5.789 4.626 1.00 0.00 O ATOM 173 CB VAL A 11 4.463 2.657 4.370 1.00 0.00 C ATOM 174 CG1 VAL A 11 5.296 2.775 3.104 1.00 0.00 C ATOM 175 CG2 VAL A 11 4.396 1.216 4.851 1.00 0.00 C ATOM 0 H VAL A 11 3.961 2.362 6.803 1.00 0.00 H new ATOM 0 HA VAL A 11 6.114 3.514 5.437 1.00 0.00 H new ATOM 0 HB VAL A 11 3.446 2.976 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.884 2.121 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.278 3.806 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.324 2.482 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.992 0.586 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.397 0.873 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.751 1.155 5.728 1.00 0.00 H new ATOM 185 N VAL A 12 3.364 5.313 5.572 1.00 0.00 N ATOM 186 CA VAL A 12 2.826 6.652 5.369 1.00 0.00 C ATOM 187 C VAL A 12 3.525 7.652 6.281 1.00 0.00 C ATOM 188 O VAL A 12 3.972 8.714 5.840 1.00 0.00 O ATOM 189 CB VAL A 12 1.309 6.700 5.637 1.00 0.00 C ATOM 190 CG1 VAL A 12 0.587 7.396 4.494 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.759 5.298 5.849 1.00 0.00 C ATOM 0 H VAL A 12 2.724 4.665 6.031 1.00 0.00 H new ATOM 0 HA VAL A 12 3.005 6.916 4.327 1.00 0.00 H new ATOM 0 HB VAL A 12 1.138 7.274 6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.483 7.420 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.961 8.415 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.765 6.852 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.313 5.352 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.941 4.697 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.254 4.838 6.704 1.00 0.00 H new ATOM 201 N LYS A 13 3.622 7.298 7.556 1.00 0.00 N ATOM 202 CA LYS A 13 4.272 8.154 8.537 1.00 0.00 C ATOM 203 C LYS A 13 5.691 8.497 8.098 1.00 0.00 C ATOM 204 O LYS A 13 6.090 9.662 8.113 1.00 0.00 O ATOM 205 CB LYS A 13 4.300 7.463 9.901 1.00 0.00 C ATOM 206 CG LYS A 13 5.425 6.451 10.047 1.00 0.00 C ATOM 207 CD LYS A 13 5.628 6.051 11.500 1.00 0.00 C ATOM 208 CE LYS A 13 4.322 6.093 12.277 1.00 0.00 C ATOM 209 NZ LYS A 13 4.434 5.398 13.589 1.00 0.00 N ATOM 0 H LYS A 13 3.258 6.423 7.934 1.00 0.00 H new ATOM 0 HA LYS A 13 3.702 9.079 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.399 8.219 10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.347 6.960 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.199 5.566 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.349 6.873 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.048 5.046 11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.351 6.721 11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.029 7.130 12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.533 5.628 11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.523 5.449 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.688 4.402 13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.169 5.857 14.163 1.00 0.00 H new ATOM 223 N ASN A 14 6.451 7.475 7.708 1.00 0.00 N ATOM 224 CA ASN A 14 7.823 7.668 7.272 1.00 0.00 C ATOM 225 C ASN A 14 7.885 8.066 5.800 1.00 0.00 C ATOM 226 O ASN A 14 8.962 8.342 5.269 1.00 0.00 O ATOM 227 CB ASN A 14 8.638 6.395 7.503 1.00 0.00 C ATOM 228 CG ASN A 14 8.531 5.892 8.929 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.034 6.520 9.861 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.874 4.751 9.106 1.00 0.00 N ATOM 0 H ASN A 14 6.135 6.506 7.687 1.00 0.00 H new ATOM 0 HA ASN A 14 8.250 8.479 7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.295 5.618 6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.684 6.589 7.266 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.771 4.362 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.473 4.264 8.305 1.00 0.00 H new ATOM 237 N PHE A 15 6.728 8.105 5.146 1.00 0.00 N ATOM 238 CA PHE A 15 6.662 8.483 3.739 1.00 0.00 C ATOM 239 C PHE A 15 7.229 9.880 3.547 1.00 0.00 C ATOM 240 O PHE A 15 7.984 10.138 2.610 1.00 0.00 O ATOM 241 CB PHE A 15 5.217 8.432 3.241 1.00 0.00 C ATOM 242 CG PHE A 15 4.859 7.160 2.529 1.00 0.00 C ATOM 243 CD1 PHE A 15 5.810 6.180 2.310 1.00 0.00 C ATOM 244 CD2 PHE A 15 3.566 6.946 2.079 1.00 0.00 C ATOM 245 CE1 PHE A 15 5.481 5.009 1.655 1.00 0.00 C ATOM 246 CE2 PHE A 15 3.230 5.777 1.424 1.00 0.00 C ATOM 247 CZ PHE A 15 4.189 4.807 1.212 1.00 0.00 C ATOM 0 H PHE A 15 5.826 7.880 5.566 1.00 0.00 H new ATOM 0 HA PHE A 15 7.256 7.776 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.546 8.561 4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.046 9.273 2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.822 6.332 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.812 7.702 2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.234 4.252 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.219 5.622 1.078 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.929 3.892 0.701 1.00 0.00 H new ATOM 257 N GLU A 16 6.857 10.771 4.455 1.00 0.00 N ATOM 258 CA GLU A 16 7.318 12.157 4.423 1.00 0.00 C ATOM 259 C GLU A 16 6.140 13.123 4.386 1.00 0.00 C ATOM 260 O GLU A 16 6.319 14.328 4.206 1.00 0.00 O ATOM 261 CB GLU A 16 8.236 12.400 3.221 1.00 0.00 C ATOM 262 CG GLU A 16 7.528 12.364 1.879 1.00 0.00 C ATOM 263 CD GLU A 16 6.186 11.660 1.933 1.00 0.00 C ATOM 264 OE1 GLU A 16 5.202 12.290 2.370 1.00 0.00 O ATOM 265 OE2 GLU A 16 6.120 10.480 1.531 1.00 0.00 O ATOM 0 H GLU A 16 6.231 10.558 5.232 1.00 0.00 H new ATOM 0 HA GLU A 16 7.885 12.338 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.720 13.370 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.025 11.648 3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.382 13.384 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.166 11.862 1.152 1.00 0.00 H new ATOM 272 N LYS A 17 4.936 12.589 4.560 1.00 0.00 N ATOM 273 CA LYS A 17 3.733 13.401 4.548 1.00 0.00 C ATOM 274 C LYS A 17 3.381 13.876 5.953 1.00 0.00 C ATOM 275 O LYS A 17 3.127 15.061 6.172 1.00 0.00 O ATOM 276 CB LYS A 17 2.565 12.614 3.954 1.00 0.00 C ATOM 277 CG LYS A 17 2.005 13.226 2.680 1.00 0.00 C ATOM 278 CD LYS A 17 2.927 12.991 1.495 1.00 0.00 C ATOM 279 CE LYS A 17 3.974 14.088 1.377 1.00 0.00 C ATOM 280 NZ LYS A 17 3.357 15.418 1.117 1.00 0.00 N ATOM 0 H LYS A 17 4.771 11.594 4.711 1.00 0.00 H new ATOM 0 HA LYS A 17 3.924 14.276 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.893 11.596 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.769 12.546 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.025 12.798 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.861 14.297 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.421 12.025 1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.339 12.948 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.559 14.132 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.666 13.845 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.033 16.021 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.499 15.296 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.107 15.867 2.021 1.00 0.00 H new ATOM 294 N VAL A 18 3.367 12.946 6.903 1.00 0.00 N ATOM 295 CA VAL A 18 3.046 13.274 8.286 1.00 0.00 C ATOM 296 C VAL A 18 2.995 12.018 9.150 1.00 0.00 C ATOM 297 O VAL A 18 3.086 10.901 8.641 1.00 0.00 O ATOM 298 CB VAL A 18 1.696 14.009 8.390 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.910 15.514 8.437 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.791 13.628 7.230 1.00 0.00 C ATOM 0 H VAL A 18 3.574 11.961 6.740 1.00 0.00 H new ATOM 0 HA VAL A 18 3.838 13.930 8.648 1.00 0.00 H new ATOM 0 HB VAL A 18 1.208 13.706 9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.946 16.017 8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.519 15.768 9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.420 15.838 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.158 14.157 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.270 13.900 6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.611 12.553 7.247 1.00 0.00 H new ATOM 310 N ASP A 19 2.846 12.209 10.456 1.00 0.00 N ATOM 311 CA ASP A 19 2.779 11.091 11.387 1.00 0.00 C ATOM 312 C ASP A 19 1.521 10.262 11.149 1.00 0.00 C ATOM 313 O ASP A 19 0.404 10.775 11.231 1.00 0.00 O ATOM 314 CB ASP A 19 2.805 11.598 12.830 1.00 0.00 C ATOM 315 CG ASP A 19 4.175 11.467 13.465 1.00 0.00 C ATOM 316 OD1 ASP A 19 4.494 10.369 13.967 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.931 12.462 13.458 1.00 0.00 O ATOM 0 H ASP A 19 2.769 13.127 10.893 1.00 0.00 H new ATOM 0 HA ASP A 19 3.649 10.457 11.218 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.497 12.643 12.850 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.079 11.040 13.421 1.00 0.00 H new ATOM 322 N ALA A 20 1.707 8.981 10.852 1.00 0.00 N ATOM 323 CA ALA A 20 0.586 8.084 10.600 1.00 0.00 C ATOM 324 C ALA A 20 -0.347 8.020 11.804 1.00 0.00 C ATOM 325 O ALA A 20 -1.521 7.672 11.675 1.00 0.00 O ATOM 326 CB ALA A 20 1.091 6.693 10.246 1.00 0.00 C ATOM 0 H ALA A 20 2.624 8.540 10.780 1.00 0.00 H new ATOM 0 HA ALA A 20 0.020 8.478 9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.243 6.034 10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.710 6.748 9.351 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.682 6.299 11.073 1.00 0.00 H new ATOM 332 N SER A 21 0.184 8.357 12.972 1.00 0.00 N ATOM 333 CA SER A 21 -0.597 8.338 14.202 1.00 0.00 C ATOM 334 C SER A 21 -1.658 9.433 14.191 1.00 0.00 C ATOM 335 O SER A 21 -2.616 9.392 14.963 1.00 0.00 O ATOM 336 CB SER A 21 0.319 8.510 15.415 1.00 0.00 C ATOM 337 OG SER A 21 1.050 7.325 15.675 1.00 0.00 O ATOM 0 H SER A 21 1.154 8.647 13.094 1.00 0.00 H new ATOM 0 HA SER A 21 -1.099 7.373 14.269 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.009 9.335 15.239 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.276 8.773 16.289 1.00 0.00 H new ATOM 0 HG SER A 21 1.629 7.462 16.454 1.00 0.00 H new ATOM 343 N LYS A 22 -1.479 10.415 13.313 1.00 0.00 N ATOM 344 CA LYS A 22 -2.416 11.523 13.203 1.00 0.00 C ATOM 345 C LYS A 22 -3.687 11.096 12.475 1.00 0.00 C ATOM 346 O LYS A 22 -4.706 11.783 12.532 1.00 0.00 O ATOM 347 CB LYS A 22 -1.766 12.696 12.467 1.00 0.00 C ATOM 348 CG LYS A 22 -1.706 12.510 10.959 1.00 0.00 C ATOM 349 CD LYS A 22 -0.773 13.520 10.312 1.00 0.00 C ATOM 350 CE LYS A 22 -1.210 14.947 10.599 1.00 0.00 C ATOM 351 NZ LYS A 22 -2.154 15.458 9.567 1.00 0.00 N ATOM 0 H LYS A 22 -0.691 10.464 12.667 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.685 11.837 14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.321 13.607 12.691 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.755 12.838 12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.367 11.500 10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.706 12.614 10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.241 13.368 10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.748 13.356 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.685 14.991 11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.333 15.593 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.872 16.059 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.630 16.016 8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.620 14.657 9.096 1.00 0.00 H new ATOM 365 N VAL A 23 -3.617 9.961 11.789 1.00 0.00 N ATOM 366 CA VAL A 23 -4.759 9.446 11.049 1.00 0.00 C ATOM 367 C VAL A 23 -5.742 8.735 11.971 1.00 0.00 C ATOM 368 O VAL A 23 -5.373 7.811 12.695 1.00 0.00 O ATOM 369 CB VAL A 23 -4.318 8.472 9.940 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.986 8.904 9.346 1.00 0.00 C ATOM 371 CG2 VAL A 23 -4.234 7.053 10.479 1.00 0.00 C ATOM 0 H VAL A 23 -2.780 9.381 11.731 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.251 10.306 10.594 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.066 8.492 9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.692 8.203 8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.084 9.902 8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.226 8.916 10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.921 6.379 9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.509 7.015 11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.212 6.746 10.850 1.00 0.00 H new ATOM 381 N THR A 24 -6.998 9.171 11.938 1.00 0.00 N ATOM 382 CA THR A 24 -8.034 8.579 12.762 1.00 0.00 C ATOM 383 C THR A 24 -9.079 7.878 11.899 1.00 0.00 C ATOM 384 O THR A 24 -9.091 8.027 10.677 1.00 0.00 O ATOM 385 CB THR A 24 -8.694 9.643 13.641 1.00 0.00 C ATOM 386 OG1 THR A 24 -8.564 9.311 15.011 1.00 0.00 O ATOM 387 CG2 THR A 24 -10.167 9.834 13.353 1.00 0.00 C ATOM 0 H THR A 24 -7.319 9.936 11.345 1.00 0.00 H new ATOM 0 HA THR A 24 -7.570 7.834 13.408 1.00 0.00 H new ATOM 0 HB THR A 24 -8.174 10.572 13.407 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.991 10.004 15.557 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.570 10.603 14.012 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.298 10.141 12.315 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.696 8.896 13.524 1.00 0.00 H new ATOM 395 N PRO A 25 -9.970 7.099 12.528 1.00 0.00 N ATOM 396 CA PRO A 25 -11.024 6.362 11.821 1.00 0.00 C ATOM 397 C PRO A 25 -11.904 7.273 10.969 1.00 0.00 C ATOM 398 O PRO A 25 -12.362 6.880 9.896 1.00 0.00 O ATOM 399 CB PRO A 25 -11.848 5.724 12.948 1.00 0.00 C ATOM 400 CG PRO A 25 -11.441 6.439 14.193 1.00 0.00 C ATOM 401 CD PRO A 25 -10.020 6.867 13.977 1.00 0.00 C ATOM 0 HA PRO A 25 -10.605 5.637 11.123 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.917 5.834 12.764 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.646 4.656 13.025 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.084 7.300 14.377 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.524 5.787 15.063 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.779 7.769 14.540 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.313 6.098 14.289 1.00 0.00 H new ATOM 409 N GLU A 26 -12.142 8.487 11.453 1.00 0.00 N ATOM 410 CA GLU A 26 -12.968 9.445 10.736 1.00 0.00 C ATOM 411 C GLU A 26 -12.112 10.489 10.026 1.00 0.00 C ATOM 412 O GLU A 26 -12.633 11.402 9.384 1.00 0.00 O ATOM 413 CB GLU A 26 -13.940 10.133 11.698 1.00 0.00 C ATOM 414 CG GLU A 26 -15.327 10.343 11.115 1.00 0.00 C ATOM 415 CD GLU A 26 -15.321 10.397 9.600 1.00 0.00 C ATOM 416 OE1 GLU A 26 -15.117 11.497 9.046 1.00 0.00 O ATOM 417 OE2 GLU A 26 -15.520 9.338 8.968 1.00 0.00 O ATOM 0 H GLU A 26 -11.773 8.829 12.340 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.536 8.899 9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.023 9.536 12.606 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.527 11.099 11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.981 9.535 11.443 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.745 11.271 11.506 1.00 0.00 H new ATOM 424 N SER A 27 -10.797 10.352 10.149 1.00 0.00 N ATOM 425 CA SER A 27 -9.870 11.282 9.526 1.00 0.00 C ATOM 426 C SER A 27 -9.630 10.922 8.063 1.00 0.00 C ATOM 427 O SER A 27 -9.367 9.765 7.734 1.00 0.00 O ATOM 428 CB SER A 27 -8.542 11.299 10.283 1.00 0.00 C ATOM 429 OG SER A 27 -8.732 10.993 11.653 1.00 0.00 O ATOM 0 H SER A 27 -10.350 9.602 10.677 1.00 0.00 H new ATOM 0 HA SER A 27 -10.316 12.276 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.857 10.578 9.838 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.078 12.281 10.187 1.00 0.00 H new ATOM 0 HG SER A 27 -9.077 11.783 12.120 1.00 0.00 H new ATOM 435 N HIS A 28 -9.721 11.921 7.191 1.00 0.00 N ATOM 436 CA HIS A 28 -9.512 11.711 5.768 1.00 0.00 C ATOM 437 C HIS A 28 -8.024 11.656 5.441 1.00 0.00 C ATOM 438 O HIS A 28 -7.219 12.360 6.050 1.00 0.00 O ATOM 439 CB HIS A 28 -10.184 12.827 4.963 1.00 0.00 C ATOM 440 CG HIS A 28 -11.388 12.371 4.199 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.561 11.976 4.808 1.00 0.00 N ATOM 442 CD2 HIS A 28 -11.598 12.248 2.866 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.439 11.630 3.883 1.00 0.00 C ATOM 444 NE2 HIS A 28 -12.880 11.787 2.697 1.00 0.00 N ATOM 0 H HIS A 28 -9.938 12.884 7.448 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.961 10.756 5.496 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.476 13.628 5.642 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.459 13.248 4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.889 12.471 2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.444 11.278 4.066 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -13.328 11.597 1.801 1.00 0.00 H new ATOM 453 N PHE A 29 -7.664 10.815 4.478 1.00 0.00 N ATOM 454 CA PHE A 29 -6.272 10.668 4.075 1.00 0.00 C ATOM 455 C PHE A 29 -5.764 11.933 3.394 1.00 0.00 C ATOM 456 O PHE A 29 -5.186 12.810 4.035 1.00 0.00 O ATOM 457 CB PHE A 29 -6.115 9.467 3.139 1.00 0.00 C ATOM 458 CG PHE A 29 -4.687 9.050 2.929 1.00 0.00 C ATOM 459 CD1 PHE A 29 -3.712 9.989 2.630 1.00 0.00 C ATOM 460 CD2 PHE A 29 -4.319 7.717 3.028 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.398 9.607 2.436 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.007 7.330 2.834 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.045 8.277 2.538 1.00 0.00 C ATOM 0 H PHE A 29 -8.317 10.225 3.962 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.676 10.500 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.675 8.625 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.560 9.709 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.982 11.031 2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.066 6.973 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.648 10.349 2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.733 6.288 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.019 7.977 2.387 1.00 0.00 H new ATOM 473 N VAL A 30 -5.985 12.015 2.091 1.00 0.00 N ATOM 474 CA VAL A 30 -5.554 13.167 1.310 1.00 0.00 C ATOM 475 C VAL A 30 -5.936 14.474 1.989 1.00 0.00 C ATOM 476 O VAL A 30 -5.248 15.486 1.854 1.00 0.00 O ATOM 477 CB VAL A 30 -6.154 13.143 -0.109 1.00 0.00 C ATOM 478 CG1 VAL A 30 -5.077 12.842 -1.140 1.00 0.00 C ATOM 479 CG2 VAL A 30 -7.282 12.126 -0.194 1.00 0.00 C ATOM 0 H VAL A 30 -6.462 11.295 1.549 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.468 13.106 1.239 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.566 14.128 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.520 12.829 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.306 13.611 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.632 11.870 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.694 12.123 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.897 11.135 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.065 12.391 0.517 1.00 0.00 H new ATOM 489 N LYS A 31 -7.045 14.446 2.707 1.00 0.00 N ATOM 490 CA LYS A 31 -7.540 15.622 3.402 1.00 0.00 C ATOM 491 C LYS A 31 -6.813 15.838 4.727 1.00 0.00 C ATOM 492 O LYS A 31 -6.825 16.939 5.277 1.00 0.00 O ATOM 493 CB LYS A 31 -9.044 15.497 3.651 1.00 0.00 C ATOM 494 CG LYS A 31 -9.772 14.685 2.593 1.00 0.00 C ATOM 495 CD LYS A 31 -9.694 15.351 1.228 1.00 0.00 C ATOM 496 CE LYS A 31 -9.954 16.846 1.323 1.00 0.00 C ATOM 497 NZ LYS A 31 -8.688 17.623 1.423 1.00 0.00 N ATOM 0 H LYS A 31 -7.624 13.615 2.825 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.348 16.486 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.205 15.036 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.480 16.495 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.339 13.686 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.816 14.564 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.709 15.179 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.423 14.896 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.513 17.174 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.576 17.052 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.788 18.519 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.482 17.823 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.908 17.071 1.013 1.00 0.00 H new ATOM 511 N ASP A 32 -6.190 14.783 5.244 1.00 0.00 N ATOM 512 CA ASP A 32 -5.477 14.866 6.506 1.00 0.00 C ATOM 513 C ASP A 32 -3.967 14.743 6.319 1.00 0.00 C ATOM 514 O ASP A 32 -3.227 14.600 7.293 1.00 0.00 O ATOM 515 CB ASP A 32 -5.971 13.783 7.467 1.00 0.00 C ATOM 516 CG ASP A 32 -5.547 14.045 8.899 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.358 13.830 9.215 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.404 14.466 9.706 1.00 0.00 O ATOM 0 H ASP A 32 -6.167 13.862 4.805 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.681 15.850 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.058 13.725 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.586 12.815 7.148 1.00 0.00 H new ATOM 523 N LEU A 33 -3.508 14.800 5.072 1.00 0.00 N ATOM 524 CA LEU A 33 -2.079 14.695 4.789 1.00 0.00 C ATOM 525 C LEU A 33 -1.790 14.897 3.307 1.00 0.00 C ATOM 526 O LEU A 33 -0.730 15.400 2.933 1.00 0.00 O ATOM 527 CB LEU A 33 -1.547 13.335 5.246 1.00 0.00 C ATOM 528 CG LEU A 33 -2.440 12.142 4.904 1.00 0.00 C ATOM 529 CD1 LEU A 33 -1.605 10.881 4.742 1.00 0.00 C ATOM 530 CD2 LEU A 33 -3.501 11.947 5.976 1.00 0.00 C ATOM 0 H LEU A 33 -4.098 14.917 4.248 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.570 15.484 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.567 13.176 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.402 13.363 6.326 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.941 12.346 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.257 10.042 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.882 11.024 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.077 10.672 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.128 11.094 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.019 11.764 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.118 12.843 6.044 1.00 0.00 H new ATOM 542 N GLY A 34 -2.738 14.504 2.470 1.00 0.00 N ATOM 543 CA GLY A 34 -2.569 14.651 1.035 1.00 0.00 C ATOM 544 C GLY A 34 -1.255 14.078 0.544 1.00 0.00 C ATOM 545 O GLY A 34 -0.219 14.741 0.601 1.00 0.00 O ATOM 0 H GLY A 34 -3.623 14.085 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.393 14.154 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.622 15.708 0.773 1.00 0.00 H new ATOM 549 N LEU A 35 -1.299 12.843 0.062 1.00 0.00 N ATOM 550 CA LEU A 35 -0.108 12.174 -0.442 1.00 0.00 C ATOM 551 C LEU A 35 0.080 12.441 -1.932 1.00 0.00 C ATOM 552 O LEU A 35 -0.824 12.202 -2.732 1.00 0.00 O ATOM 553 CB LEU A 35 -0.197 10.669 -0.187 1.00 0.00 C ATOM 554 CG LEU A 35 -1.604 10.077 -0.285 1.00 0.00 C ATOM 555 CD1 LEU A 35 -2.211 10.370 -1.649 1.00 0.00 C ATOM 556 CD2 LEU A 35 -1.569 8.578 -0.025 1.00 0.00 C ATOM 0 H LEU A 35 -2.150 12.283 0.010 1.00 0.00 H new ATOM 0 HA LEU A 35 0.755 12.575 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.447 10.156 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.200 10.460 0.806 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.230 10.543 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.212 9.942 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.270 11.448 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.587 9.930 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.578 8.172 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.929 8.095 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.175 8.391 0.974 1.00 0.00 H new ATOM 568 N ASN A 36 1.258 12.934 -2.297 1.00 0.00 N ATOM 569 CA ASN A 36 1.561 13.230 -3.692 1.00 0.00 C ATOM 570 C ASN A 36 1.502 11.964 -4.543 1.00 0.00 C ATOM 571 O ASN A 36 1.348 10.860 -4.020 1.00 0.00 O ATOM 572 CB ASN A 36 2.941 13.883 -3.817 1.00 0.00 C ATOM 573 CG ASN A 36 3.844 13.569 -2.643 1.00 0.00 C ATOM 574 OD1 ASN A 36 4.680 14.384 -2.250 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.680 12.384 -2.077 1.00 0.00 N ATOM 0 H ASN A 36 2.018 13.137 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 36 0.808 13.928 -4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.417 13.544 -4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.821 14.963 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.259 12.114 -1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.975 11.741 -2.436 1.00 0.00 H new ATOM 582 N SER A 37 1.618 12.133 -5.856 1.00 0.00 N ATOM 583 CA SER A 37 1.573 11.005 -6.781 1.00 0.00 C ATOM 584 C SER A 37 2.669 9.995 -6.471 1.00 0.00 C ATOM 585 O SER A 37 2.401 8.811 -6.261 1.00 0.00 O ATOM 586 CB SER A 37 1.707 11.494 -8.223 1.00 0.00 C ATOM 587 OG SER A 37 0.613 12.318 -8.587 1.00 0.00 O ATOM 0 H SER A 37 1.744 13.041 -6.304 1.00 0.00 H new ATOM 0 HA SER A 37 0.609 10.511 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.638 12.049 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.762 10.639 -8.897 1.00 0.00 H new ATOM 0 HG SER A 37 0.724 12.619 -9.513 1.00 0.00 H new ATOM 592 N LEU A 38 3.902 10.473 -6.446 1.00 0.00 N ATOM 593 CA LEU A 38 5.051 9.620 -6.166 1.00 0.00 C ATOM 594 C LEU A 38 4.802 8.770 -4.929 1.00 0.00 C ATOM 595 O LEU A 38 5.397 7.705 -4.761 1.00 0.00 O ATOM 596 CB LEU A 38 6.309 10.466 -5.967 1.00 0.00 C ATOM 597 CG LEU A 38 6.423 11.123 -4.594 1.00 0.00 C ATOM 598 CD1 LEU A 38 5.208 11.992 -4.322 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.580 10.068 -3.508 1.00 0.00 C ATOM 0 H LEU A 38 4.136 11.451 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 38 5.198 8.960 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.184 9.836 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.332 11.244 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 38 7.310 11.756 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.304 12.454 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.139 12.769 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.308 11.378 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.660 10.555 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.712 9.409 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.481 9.484 -3.696 1.00 0.00 H new ATOM 611 N ASP A 39 3.917 9.248 -4.065 1.00 0.00 N ATOM 612 CA ASP A 39 3.582 8.532 -2.842 1.00 0.00 C ATOM 613 C ASP A 39 2.749 7.298 -3.152 1.00 0.00 C ATOM 614 O ASP A 39 3.279 6.202 -3.333 1.00 0.00 O ATOM 615 CB ASP A 39 2.820 9.445 -1.881 1.00 0.00 C ATOM 616 CG ASP A 39 3.729 10.092 -0.853 1.00 0.00 C ATOM 617 OD1 ASP A 39 4.802 10.596 -1.243 1.00 0.00 O ATOM 618 OD2 ASP A 39 3.366 10.094 0.342 1.00 0.00 O ATOM 0 H ASP A 39 3.418 10.129 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 39 4.512 8.216 -2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.310 10.222 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.050 8.867 -1.369 1.00 0.00 H new ATOM 623 N VAL A 40 1.439 7.490 -3.212 1.00 0.00 N ATOM 624 CA VAL A 40 0.517 6.400 -3.501 1.00 0.00 C ATOM 625 C VAL A 40 1.185 5.314 -4.339 1.00 0.00 C ATOM 626 O VAL A 40 0.901 4.130 -4.171 1.00 0.00 O ATOM 627 CB VAL A 40 -0.740 6.904 -4.237 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.778 6.372 -5.662 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.996 6.507 -3.478 1.00 0.00 C ATOM 0 H VAL A 40 0.989 8.393 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 40 0.221 5.978 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.699 7.992 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.673 6.740 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.106 6.712 -6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.794 5.282 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.874 6.871 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.045 5.421 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.971 6.944 -2.480 1.00 0.00 H new ATOM 639 N VAL A 41 2.069 5.722 -5.244 1.00 0.00 N ATOM 640 CA VAL A 41 2.767 4.773 -6.103 1.00 0.00 C ATOM 641 C VAL A 41 3.703 3.880 -5.297 1.00 0.00 C ATOM 642 O VAL A 41 3.659 2.656 -5.413 1.00 0.00 O ATOM 643 CB VAL A 41 3.582 5.484 -7.201 1.00 0.00 C ATOM 644 CG1 VAL A 41 4.046 6.852 -6.729 1.00 0.00 C ATOM 645 CG2 VAL A 41 4.767 4.628 -7.620 1.00 0.00 C ATOM 0 H VAL A 41 2.318 6.699 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 41 1.996 4.162 -6.574 1.00 0.00 H new ATOM 0 HB VAL A 41 2.937 5.628 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.619 7.335 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.179 7.465 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.673 6.738 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.332 5.144 -8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.411 4.451 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.408 3.674 -8.006 1.00 0.00 H new ATOM 655 N GLU A 42 4.554 4.497 -4.484 1.00 0.00 N ATOM 656 CA GLU A 42 5.501 3.753 -3.667 1.00 0.00 C ATOM 657 C GLU A 42 4.777 2.943 -2.602 1.00 0.00 C ATOM 658 O GLU A 42 5.167 1.819 -2.285 1.00 0.00 O ATOM 659 CB GLU A 42 6.504 4.703 -3.013 1.00 0.00 C ATOM 660 CG GLU A 42 7.598 5.171 -3.958 1.00 0.00 C ATOM 661 CD GLU A 42 8.924 5.382 -3.256 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.040 4.991 -2.074 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.848 5.938 -3.886 1.00 0.00 O ATOM 0 H GLU A 42 4.606 5.510 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 42 6.041 3.064 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.971 5.572 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.961 4.204 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.725 4.436 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.290 6.103 -4.432 1.00 0.00 H new ATOM 670 N VAL A 43 3.720 3.524 -2.062 1.00 0.00 N ATOM 671 CA VAL A 43 2.926 2.870 -1.034 1.00 0.00 C ATOM 672 C VAL A 43 2.183 1.675 -1.609 1.00 0.00 C ATOM 673 O VAL A 43 2.081 0.625 -0.976 1.00 0.00 O ATOM 674 CB VAL A 43 1.921 3.848 -0.395 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.047 5.227 -1.022 1.00 0.00 C ATOM 676 CG2 VAL A 43 0.501 3.326 -0.523 1.00 0.00 C ATOM 0 H VAL A 43 3.389 4.454 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 43 3.612 2.526 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 43 2.154 3.931 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.330 5.904 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.057 5.606 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.845 5.161 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.190 4.034 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.251 3.206 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.421 2.363 -0.019 1.00 0.00 H new ATOM 686 N VAL A 44 1.676 1.845 -2.821 1.00 0.00 N ATOM 687 CA VAL A 44 0.950 0.786 -3.502 1.00 0.00 C ATOM 688 C VAL A 44 1.872 -0.394 -3.775 1.00 0.00 C ATOM 689 O VAL A 44 1.497 -1.549 -3.575 1.00 0.00 O ATOM 690 CB VAL A 44 0.346 1.276 -4.829 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.731 2.318 -4.574 1.00 0.00 C ATOM 692 CG2 VAL A 44 1.430 1.832 -5.739 1.00 0.00 C ATOM 0 H VAL A 44 1.755 2.711 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 44 0.136 0.475 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.115 0.425 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.146 2.652 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.523 1.881 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.297 3.169 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.982 2.173 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.924 2.669 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.162 1.053 -5.952 1.00 0.00 H new ATOM 702 N PHE A 45 3.087 -0.092 -4.222 1.00 0.00 N ATOM 703 CA PHE A 45 4.070 -1.124 -4.510 1.00 0.00 C ATOM 704 C PHE A 45 4.571 -1.746 -3.213 1.00 0.00 C ATOM 705 O PHE A 45 4.981 -2.907 -3.180 1.00 0.00 O ATOM 706 CB PHE A 45 5.241 -0.538 -5.302 1.00 0.00 C ATOM 707 CG PHE A 45 4.982 -0.452 -6.781 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.057 -1.585 -7.575 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.664 0.760 -7.375 1.00 0.00 C ATOM 710 CE1 PHE A 45 4.820 -1.512 -8.935 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.426 0.838 -8.734 1.00 0.00 C ATOM 712 CZ PHE A 45 4.504 -0.298 -9.515 1.00 0.00 C ATOM 0 H PHE A 45 3.412 0.860 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 45 3.596 -1.899 -5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.464 0.459 -4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.127 -1.150 -5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.303 -2.536 -7.126 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.602 1.652 -6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.882 -2.402 -9.543 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.179 1.788 -9.185 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.318 -0.238 -10.577 1.00 0.00 H new ATOM 722 N ALA A 46 4.522 -0.960 -2.143 1.00 0.00 N ATOM 723 CA ALA A 46 4.956 -1.415 -0.833 1.00 0.00 C ATOM 724 C ALA A 46 3.950 -2.386 -0.236 1.00 0.00 C ATOM 725 O ALA A 46 4.173 -3.599 -0.199 1.00 0.00 O ATOM 726 CB ALA A 46 5.162 -0.229 0.096 1.00 0.00 C ATOM 0 H ALA A 46 4.183 0.002 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 46 5.905 -1.938 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.487 -0.585 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.922 0.432 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.225 0.317 0.202 1.00 0.00 H new ATOM 732 N ILE A 47 2.837 -1.841 0.226 1.00 0.00 N ATOM 733 CA ILE A 47 1.781 -2.648 0.819 1.00 0.00 C ATOM 734 C ILE A 47 1.451 -3.839 -0.071 1.00 0.00 C ATOM 735 O ILE A 47 1.260 -4.953 0.413 1.00 0.00 O ATOM 736 CB ILE A 47 0.504 -1.822 1.056 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.106 -1.079 -0.220 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.713 -0.844 2.203 1.00 0.00 C ATOM 739 CD1 ILE A 47 -0.487 0.288 0.033 1.00 0.00 C ATOM 0 H ILE A 47 2.640 -0.840 0.202 1.00 0.00 H new ATOM 0 HA ILE A 47 2.149 -3.003 1.781 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.306 -2.500 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.984 -0.972 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.616 -1.682 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.198 -0.267 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.954 -1.395 3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.533 -0.169 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.745 0.754 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.385 0.188 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.240 0.909 0.556 1.00 0.00 H new ATOM 751 N GLU A 48 1.401 -3.603 -1.378 1.00 0.00 N ATOM 752 CA GLU A 48 1.104 -4.669 -2.326 1.00 0.00 C ATOM 753 C GLU A 48 2.081 -5.817 -2.139 1.00 0.00 C ATOM 754 O GLU A 48 1.719 -6.989 -2.259 1.00 0.00 O ATOM 755 CB GLU A 48 1.175 -4.147 -3.762 1.00 0.00 C ATOM 756 CG GLU A 48 -0.114 -3.502 -4.240 1.00 0.00 C ATOM 757 CD GLU A 48 -1.178 -3.454 -3.161 1.00 0.00 C ATOM 758 OE1 GLU A 48 -0.816 -3.270 -1.980 1.00 0.00 O ATOM 759 OE2 GLU A 48 -2.372 -3.599 -3.497 1.00 0.00 O ATOM 0 H GLU A 48 1.561 -2.689 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 48 0.092 -5.028 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.984 -3.420 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.427 -4.973 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.097 -2.489 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.496 -4.055 -5.098 1.00 0.00 H new ATOM 766 N GLN A 49 3.320 -5.468 -1.822 1.00 0.00 N ATOM 767 CA GLN A 49 4.358 -6.460 -1.593 1.00 0.00 C ATOM 768 C GLN A 49 3.978 -7.352 -0.419 1.00 0.00 C ATOM 769 O GLN A 49 4.142 -8.571 -0.471 1.00 0.00 O ATOM 770 CB GLN A 49 5.700 -5.777 -1.322 1.00 0.00 C ATOM 771 CG GLN A 49 6.786 -6.156 -2.315 1.00 0.00 C ATOM 772 CD GLN A 49 6.239 -6.431 -3.702 1.00 0.00 C ATOM 773 OE1 GLN A 49 6.339 -7.546 -4.212 1.00 0.00 O ATOM 774 NE2 GLN A 49 5.655 -5.410 -4.320 1.00 0.00 N ATOM 0 H GLN A 49 3.630 -4.502 -1.718 1.00 0.00 H new ATOM 0 HA GLN A 49 4.456 -7.074 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.559 -4.696 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.033 -6.034 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.519 -5.351 -2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.311 -7.040 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.594 -4.502 -3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.267 -5.534 -5.255 1.00 0.00 H new ATOM 783 N GLU A 50 3.459 -6.734 0.640 1.00 0.00 N ATOM 784 CA GLU A 50 3.048 -7.470 1.819 1.00 0.00 C ATOM 785 C GLU A 50 1.526 -7.518 1.934 1.00 0.00 C ATOM 786 O GLU A 50 0.974 -7.485 3.034 1.00 0.00 O ATOM 787 CB GLU A 50 3.648 -6.838 3.078 1.00 0.00 C ATOM 788 CG GLU A 50 2.652 -6.020 3.884 1.00 0.00 C ATOM 789 CD GLU A 50 2.094 -6.785 5.068 1.00 0.00 C ATOM 790 OE1 GLU A 50 2.719 -7.785 5.477 1.00 0.00 O ATOM 791 OE2 GLU A 50 1.029 -6.384 5.586 1.00 0.00 O ATOM 0 H GLU A 50 3.316 -5.726 0.699 1.00 0.00 H new ATOM 0 HA GLU A 50 3.417 -8.491 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.054 -7.626 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.482 -6.198 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.137 -5.111 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.832 -5.711 3.236 1.00 0.00 H new ATOM 798 N PHE A 51 0.854 -7.596 0.789 1.00 0.00 N ATOM 799 CA PHE A 51 -0.597 -7.647 0.753 1.00 0.00 C ATOM 800 C PHE A 51 -1.105 -8.687 -0.247 1.00 0.00 C ATOM 801 O PHE A 51 -2.285 -9.037 -0.236 1.00 0.00 O ATOM 802 CB PHE A 51 -1.173 -6.273 0.405 1.00 0.00 C ATOM 803 CG PHE A 51 -1.679 -5.511 1.598 1.00 0.00 C ATOM 804 CD1 PHE A 51 -2.923 -5.793 2.138 1.00 0.00 C ATOM 805 CD2 PHE A 51 -0.911 -4.513 2.177 1.00 0.00 C ATOM 806 CE1 PHE A 51 -3.392 -5.093 3.234 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.375 -3.810 3.273 1.00 0.00 C ATOM 808 CZ PHE A 51 -2.617 -4.101 3.802 1.00 0.00 C ATOM 0 H PHE A 51 1.298 -7.625 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.934 -7.941 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.404 -5.682 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.989 -6.400 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.533 -6.568 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.061 -4.282 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.364 -5.322 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.767 -3.034 3.715 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.982 -3.554 4.659 1.00 0.00 H new ATOM 818 N ILE A 52 -0.219 -9.175 -1.114 1.00 0.00 N ATOM 819 CA ILE A 52 -0.592 -10.167 -2.117 1.00 0.00 C ATOM 820 C ILE A 52 -1.827 -9.726 -2.892 1.00 0.00 C ATOM 821 O ILE A 52 -2.733 -10.521 -3.145 1.00 0.00 O ATOM 822 CB ILE A 52 -0.850 -11.555 -1.491 1.00 0.00 C ATOM 823 CG1 ILE A 52 -1.779 -11.448 -0.288 1.00 0.00 C ATOM 824 CG2 ILE A 52 0.463 -12.212 -1.094 1.00 0.00 C ATOM 825 CD1 ILE A 52 -3.223 -11.184 -0.656 1.00 0.00 C ATOM 0 H ILE A 52 0.762 -8.898 -1.141 1.00 0.00 H new ATOM 0 HA ILE A 52 0.253 -10.250 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.338 -12.178 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.723 -12.373 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.427 -10.647 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.263 -13.189 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.091 -12.333 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.978 -11.585 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.824 -11.120 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.293 -10.244 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.594 -11.997 -1.281 1.00 0.00 H new ATOM 837 N LEU A 53 -1.855 -8.452 -3.269 1.00 0.00 N ATOM 838 CA LEU A 53 -2.974 -7.895 -4.017 1.00 0.00 C ATOM 839 C LEU A 53 -2.669 -6.469 -4.462 1.00 0.00 C ATOM 840 O LEU A 53 -1.980 -5.725 -3.763 1.00 0.00 O ATOM 841 CB LEU A 53 -4.247 -7.918 -3.168 1.00 0.00 C ATOM 842 CG LEU A 53 -5.468 -7.260 -3.814 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.437 -5.755 -3.603 1.00 0.00 C ATOM 844 CD2 LEU A 53 -5.530 -7.592 -5.297 1.00 0.00 C ATOM 0 H LEU A 53 -1.111 -7.784 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.130 -8.509 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.492 -8.954 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.043 -7.419 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.365 -7.654 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.313 -5.304 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.442 -5.537 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.534 -5.343 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.405 -7.116 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.629 -7.226 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.601 -8.672 -5.425 1.00 0.00 H new ATOM 856 N ASP A 54 -3.177 -6.094 -5.632 1.00 0.00 N ATOM 857 CA ASP A 54 -2.951 -4.762 -6.168 1.00 0.00 C ATOM 858 C ASP A 54 -3.882 -3.742 -5.520 1.00 0.00 C ATOM 859 O ASP A 54 -5.042 -4.037 -5.235 1.00 0.00 O ATOM 860 CB ASP A 54 -3.151 -4.760 -7.685 1.00 0.00 C ATOM 861 CG ASP A 54 -1.895 -4.359 -8.434 1.00 0.00 C ATOM 862 OD1 ASP A 54 -1.176 -3.460 -7.948 1.00 0.00 O ATOM 863 OD2 ASP A 54 -1.631 -4.942 -9.505 1.00 0.00 O ATOM 0 H ASP A 54 -3.748 -6.696 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.923 -4.479 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.462 -5.753 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.958 -4.074 -7.941 1.00 0.00 H new ATOM 868 N ILE A 55 -3.361 -2.540 -5.289 1.00 0.00 N ATOM 869 CA ILE A 55 -4.138 -1.476 -4.675 1.00 0.00 C ATOM 870 C ILE A 55 -4.423 -0.348 -5.664 1.00 0.00 C ATOM 871 O ILE A 55 -5.548 0.139 -5.753 1.00 0.00 O ATOM 872 CB ILE A 55 -3.418 -0.891 -3.444 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.570 -1.826 -2.243 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.966 0.492 -3.117 1.00 0.00 C ATOM 875 CD1 ILE A 55 -4.570 -2.940 -2.465 1.00 0.00 C ATOM 0 H ILE A 55 -2.402 -2.282 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.081 -1.923 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.357 -0.796 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.599 -2.262 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.876 -1.242 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.448 0.892 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.811 1.155 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.032 0.420 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.625 -3.563 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.551 -2.512 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.255 -3.548 -3.313 1.00 0.00 H new ATOM 887 N PRO A 56 -3.399 0.084 -6.420 1.00 0.00 N ATOM 888 CA PRO A 56 -3.542 1.162 -7.403 1.00 0.00 C ATOM 889 C PRO A 56 -4.759 0.975 -8.301 1.00 0.00 C ATOM 890 O PRO A 56 -5.709 0.280 -7.941 1.00 0.00 O ATOM 891 CB PRO A 56 -2.251 1.064 -8.215 1.00 0.00 C ATOM 892 CG PRO A 56 -1.256 0.498 -7.263 1.00 0.00 C ATOM 893 CD PRO A 56 -2.023 -0.444 -6.374 1.00 0.00 C ATOM 0 HA PRO A 56 -3.693 2.132 -6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.378 0.421 -9.086 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.938 2.041 -8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.462 -0.026 -7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.782 1.287 -6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.974 -1.470 -6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.628 -0.448 -5.358 1.00 0.00 H new ATOM 901 N ASP A 57 -4.725 1.605 -9.471 1.00 0.00 N ATOM 902 CA ASP A 57 -5.828 1.511 -10.419 1.00 0.00 C ATOM 903 C ASP A 57 -7.040 2.290 -9.916 1.00 0.00 C ATOM 904 O ASP A 57 -7.133 2.612 -8.732 1.00 0.00 O ATOM 905 CB ASP A 57 -6.207 0.048 -10.651 1.00 0.00 C ATOM 906 CG ASP A 57 -5.172 -0.694 -11.473 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.963 -0.511 -11.212 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.567 -1.459 -12.378 1.00 0.00 O ATOM 0 H ASP A 57 -3.947 2.185 -9.784 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.503 1.947 -11.364 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.328 -0.450 -9.689 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.171 0.001 -11.158 1.00 0.00 H new ATOM 913 N HIS A 58 -7.963 2.589 -10.822 1.00 0.00 N ATOM 914 CA HIS A 58 -9.167 3.330 -10.467 1.00 0.00 C ATOM 915 C HIS A 58 -9.586 3.032 -9.031 1.00 0.00 C ATOM 916 O HIS A 58 -10.199 3.867 -8.366 1.00 0.00 O ATOM 917 CB HIS A 58 -10.307 2.983 -11.426 1.00 0.00 C ATOM 918 CG HIS A 58 -9.982 1.856 -12.357 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.375 0.553 -12.130 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.297 1.841 -13.526 1.00 0.00 C ATOM 921 CE1 HIS A 58 -9.944 -0.212 -13.118 1.00 0.00 C ATOM 922 NE2 HIS A 58 -9.290 0.545 -13.977 1.00 0.00 N ATOM 0 H HIS A 58 -7.901 2.330 -11.807 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.945 4.394 -10.548 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.192 2.721 -10.846 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.560 3.867 -12.012 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.841 2.691 -14.012 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.101 -1.277 -13.207 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.850 0.220 -14.838 1.00 0.00 H new ATOM 931 N ASP A 59 -9.253 1.835 -8.559 1.00 0.00 N ATOM 932 CA ASP A 59 -9.596 1.425 -7.204 1.00 0.00 C ATOM 933 C ASP A 59 -8.844 2.258 -6.172 1.00 0.00 C ATOM 934 O ASP A 59 -9.423 2.715 -5.187 1.00 0.00 O ATOM 935 CB ASP A 59 -9.283 -0.059 -7.003 1.00 0.00 C ATOM 936 CG ASP A 59 -10.464 -0.950 -7.339 1.00 0.00 C ATOM 937 OD1 ASP A 59 -11.528 -0.788 -6.705 1.00 0.00 O ATOM 938 OD2 ASP A 59 -10.324 -1.809 -8.234 1.00 0.00 O ATOM 0 H ASP A 59 -8.745 1.132 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.665 1.588 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.433 -0.336 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.987 -0.228 -5.968 1.00 0.00 H new ATOM 943 N ALA A 60 -7.548 2.451 -6.402 1.00 0.00 N ATOM 944 CA ALA A 60 -6.719 3.228 -5.491 1.00 0.00 C ATOM 945 C ALA A 60 -7.102 4.701 -5.521 1.00 0.00 C ATOM 946 O ALA A 60 -6.957 5.415 -4.528 1.00 0.00 O ATOM 947 CB ALA A 60 -5.248 3.055 -5.837 1.00 0.00 C ATOM 0 H ALA A 60 -7.051 2.079 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.888 2.857 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.641 3.642 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.976 2.003 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.072 3.397 -6.857 1.00 0.00 H new ATOM 953 N GLU A 61 -7.588 5.149 -6.670 1.00 0.00 N ATOM 954 CA GLU A 61 -7.994 6.536 -6.843 1.00 0.00 C ATOM 955 C GLU A 61 -9.351 6.792 -6.197 1.00 0.00 C ATOM 956 O GLU A 61 -9.639 7.904 -5.755 1.00 0.00 O ATOM 957 CB GLU A 61 -8.047 6.893 -8.330 1.00 0.00 C ATOM 958 CG GLU A 61 -6.708 6.758 -9.036 1.00 0.00 C ATOM 959 CD GLU A 61 -5.565 7.354 -8.237 1.00 0.00 C ATOM 960 OE1 GLU A 61 -5.792 8.362 -7.537 1.00 0.00 O ATOM 961 OE2 GLU A 61 -4.443 6.810 -8.311 1.00 0.00 O ATOM 0 H GLU A 61 -7.711 4.569 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.254 7.168 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.775 6.250 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.403 7.918 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.505 5.704 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.762 7.249 -10.007 1.00 0.00 H new ATOM 968 N LYS A 62 -10.183 5.757 -6.150 1.00 0.00 N ATOM 969 CA LYS A 62 -11.511 5.869 -5.562 1.00 0.00 C ATOM 970 C LYS A 62 -11.430 5.962 -4.042 1.00 0.00 C ATOM 971 O LYS A 62 -12.453 6.020 -3.359 1.00 0.00 O ATOM 972 CB LYS A 62 -12.374 4.672 -5.967 1.00 0.00 C ATOM 973 CG LYS A 62 -12.358 4.388 -7.459 1.00 0.00 C ATOM 974 CD LYS A 62 -13.754 4.458 -8.055 1.00 0.00 C ATOM 975 CE LYS A 62 -14.306 3.073 -8.348 1.00 0.00 C ATOM 976 NZ LYS A 62 -15.783 3.091 -8.535 1.00 0.00 N ATOM 0 H LYS A 62 -9.960 4.830 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.970 6.783 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.027 3.787 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.402 4.852 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.711 5.108 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.934 3.400 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.419 4.977 -7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.729 5.043 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.831 2.676 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.052 2.400 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.120 2.127 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.238 3.446 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.024 3.713 -9.333 1.00 0.00 H new ATOM 990 N ILE A 63 -10.209 5.976 -3.518 1.00 0.00 N ATOM 991 CA ILE A 63 -9.997 6.061 -2.082 1.00 0.00 C ATOM 992 C ILE A 63 -9.487 7.440 -1.681 1.00 0.00 C ATOM 993 O ILE A 63 -8.445 7.890 -2.157 1.00 0.00 O ATOM 994 CB ILE A 63 -9.001 4.992 -1.596 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.545 4.282 -0.356 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.647 5.623 -1.301 1.00 0.00 C ATOM 997 CD1 ILE A 63 -9.556 2.773 -0.480 1.00 0.00 C ATOM 0 H ILE A 63 -9.352 5.929 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.963 5.885 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.871 4.253 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.942 4.563 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.560 4.630 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.954 4.854 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.256 6.086 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.760 6.381 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.954 2.336 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.182 2.482 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.540 2.414 -0.642 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.228 8.107 -0.801 1.00 0.00 N ATOM 1010 CA GLN A 64 -9.856 9.428 -0.336 1.00 0.00 C ATOM 1011 C GLN A 64 -9.611 9.430 1.170 1.00 0.00 C ATOM 1012 O GLN A 64 -8.741 10.147 1.666 1.00 0.00 O ATOM 1013 CB GLN A 64 -10.942 10.444 -0.691 1.00 0.00 C ATOM 1014 CG GLN A 64 -11.230 10.530 -2.182 1.00 0.00 C ATOM 1015 CD GLN A 64 -12.478 9.765 -2.579 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -13.524 10.357 -2.844 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -12.372 8.442 -2.621 1.00 0.00 N ATOM 0 H GLN A 64 -11.093 7.747 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.929 9.711 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.860 10.180 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.640 11.427 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.343 11.576 -2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.377 10.139 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.484 7.994 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.178 7.874 -2.881 1.00 0.00 H new ATOM 1026 N SER A 65 -10.384 8.626 1.892 1.00 0.00 N ATOM 1027 CA SER A 65 -10.253 8.537 3.342 1.00 0.00 C ATOM 1028 C SER A 65 -9.289 7.422 3.736 1.00 0.00 C ATOM 1029 O SER A 65 -9.281 6.351 3.130 1.00 0.00 O ATOM 1030 CB SER A 65 -11.619 8.297 3.984 1.00 0.00 C ATOM 1031 OG SER A 65 -12.042 6.957 3.800 1.00 0.00 O ATOM 0 H SER A 65 -11.108 8.026 1.497 1.00 0.00 H new ATOM 0 HA SER A 65 -9.850 9.483 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.568 8.522 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.353 8.976 3.549 1.00 0.00 H new ATOM 0 HG SER A 65 -12.991 6.879 4.032 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.481 7.682 4.759 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.514 6.702 5.238 1.00 0.00 C ATOM 1039 C ILE A 66 -8.186 5.376 5.588 1.00 0.00 C ATOM 1040 O ILE A 66 -7.638 4.306 5.318 1.00 0.00 O ATOM 1041 CB ILE A 66 -6.749 7.216 6.474 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.600 8.219 7.255 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.430 7.849 6.053 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -7.564 8.004 8.752 1.00 0.00 C ATOM 0 H ILE A 66 -8.477 8.564 5.272 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.809 6.542 4.422 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.535 6.369 7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.254 9.228 7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.632 8.153 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.900 8.208 6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.818 7.108 5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.626 8.686 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -8.189 8.750 9.242 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.938 7.007 8.986 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.538 8.099 9.109 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.386 5.424 6.193 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.126 4.218 6.577 1.00 0.00 C ATOM 1058 C PRO A 67 -10.313 3.260 5.405 1.00 0.00 C ATOM 1059 O PRO A 67 -9.516 2.346 5.207 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.483 4.749 7.061 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.540 6.172 6.613 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.117 6.645 6.553 1.00 0.00 C ATOM 0 HA PRO A 67 -9.594 3.645 7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.304 4.171 6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.569 4.676 8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.020 6.255 5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.123 6.777 7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.983 7.431 5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.784 7.049 7.509 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.371 3.476 4.630 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.656 2.628 3.478 1.00 0.00 C ATOM 1072 C ASP A 68 -10.371 2.253 2.746 1.00 0.00 C ATOM 1073 O ASP A 68 -10.323 1.258 2.023 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.615 3.337 2.520 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.976 2.672 2.468 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.026 1.430 2.347 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.993 3.393 2.547 1.00 0.00 O ATOM 0 H ASP A 68 -12.043 4.229 4.778 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.126 1.714 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.733 4.375 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.182 3.350 1.520 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.333 3.059 2.941 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.045 2.820 2.302 1.00 0.00 C ATOM 1084 C ALA A 69 -7.426 1.508 2.771 1.00 0.00 C ATOM 1085 O ALA A 69 -7.650 0.453 2.176 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.098 3.979 2.580 1.00 0.00 C ATOM 0 H ALA A 69 -9.359 3.886 3.538 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.212 2.745 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.139 3.789 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.526 4.901 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.950 4.078 3.655 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.644 1.587 3.838 1.00 0.00 N ATOM 1093 CA VAL A 70 -5.981 0.414 4.392 1.00 0.00 C ATOM 1094 C VAL A 70 -6.993 -0.580 4.952 1.00 0.00 C ATOM 1095 O VAL A 70 -6.673 -1.747 5.174 1.00 0.00 O ATOM 1096 CB VAL A 70 -4.991 0.802 5.507 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.718 1.492 6.651 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.241 -0.424 6.004 1.00 0.00 C ATOM 0 H VAL A 70 -6.452 2.454 4.339 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.433 -0.053 3.574 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.264 1.502 5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.002 1.758 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.205 2.394 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.469 0.818 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.546 -0.131 6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.952 -1.150 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.687 -0.871 5.179 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.215 -0.109 5.175 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.274 -0.954 5.705 1.00 0.00 C ATOM 1110 C GLU A 71 -9.676 -2.020 4.690 1.00 0.00 C ATOM 1111 O GLU A 71 -9.686 -3.212 4.997 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.492 -0.109 6.083 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.280 0.740 7.326 1.00 0.00 C ATOM 1114 CD GLU A 71 -10.592 -0.013 8.605 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -11.074 -1.162 8.515 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -10.354 0.546 9.696 1.00 0.00 O ATOM 0 H GLU A 71 -8.495 0.855 4.996 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.895 -1.450 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.746 0.543 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.345 -0.768 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.246 1.085 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.911 1.627 7.268 1.00 0.00 H new ATOM 1123 N TYR A 72 -10.005 -1.581 3.480 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.405 -2.494 2.417 1.00 0.00 C ATOM 1125 C TYR A 72 -9.263 -3.430 2.047 1.00 0.00 C ATOM 1126 O TYR A 72 -9.473 -4.614 1.784 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.864 -1.711 1.186 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.801 -1.577 0.119 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -9.360 -2.687 -0.591 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.241 -0.342 -0.180 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -8.389 -2.569 -1.568 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.270 -0.216 -1.157 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.849 -1.332 -1.847 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.883 -1.211 -2.819 1.00 0.00 O ATOM 0 H TYR A 72 -10.002 -0.597 3.211 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.237 -3.095 2.783 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.736 -2.204 0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.181 -0.716 1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.783 -3.657 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.569 0.534 0.359 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -8.055 -3.442 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.844 0.752 -1.378 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.127 -0.489 -3.435 1.00 0.00 H new ATOM 1144 N ILE A 73 -8.055 -2.889 2.033 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.871 -3.667 1.699 1.00 0.00 C ATOM 1146 C ILE A 73 -6.574 -4.707 2.768 1.00 0.00 C ATOM 1147 O ILE A 73 -6.260 -5.858 2.463 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.641 -2.769 1.517 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.868 -1.772 0.380 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -4.402 -3.611 1.254 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.657 -0.331 0.788 1.00 0.00 C ATOM 0 H ILE A 73 -7.868 -1.910 2.250 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.084 -4.172 0.757 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.484 -2.207 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.193 -2.011 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.884 -1.889 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.539 -2.958 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.231 -4.280 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.548 -4.200 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.835 0.319 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.350 -0.074 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.633 -0.198 1.138 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.679 -4.290 4.020 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.425 -5.176 5.150 1.00 0.00 C ATOM 1165 C ALA A 74 -7.282 -6.429 5.069 1.00 0.00 C ATOM 1166 O ALA A 74 -6.831 -7.529 5.389 1.00 0.00 O ATOM 1167 CB ALA A 74 -6.675 -4.445 6.461 1.00 0.00 C ATOM 0 H ALA A 74 -6.940 -3.339 4.282 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.379 -5.482 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.481 -5.119 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.012 -3.583 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.711 -4.109 6.498 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.520 -6.254 4.635 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.450 -7.363 4.506 1.00 0.00 C ATOM 1175 C GLN A 75 -9.181 -8.142 3.225 1.00 0.00 C ATOM 1176 O GLN A 75 -9.564 -9.306 3.101 1.00 0.00 O ATOM 1177 CB GLN A 75 -10.892 -6.853 4.518 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.147 -5.727 3.530 1.00 0.00 C ATOM 1179 CD GLN A 75 -12.436 -4.981 3.816 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -13.525 -5.455 3.495 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -12.318 -3.806 4.423 1.00 0.00 N ATOM 0 H GLN A 75 -8.905 -5.349 4.365 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.306 -8.031 5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.564 -7.682 4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.138 -6.507 5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.312 -5.027 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.185 -6.136 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.395 -3.451 4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.151 -3.259 4.641 1.00 0.00 H new ATOM 1190 N ASN A 76 -8.516 -7.492 2.277 1.00 0.00 N ATOM 1191 CA ASN A 76 -8.190 -8.123 1.005 1.00 0.00 C ATOM 1192 C ASN A 76 -7.402 -9.409 1.228 1.00 0.00 C ATOM 1193 O ASN A 76 -7.822 -10.485 0.806 1.00 0.00 O ATOM 1194 CB ASN A 76 -7.389 -7.163 0.124 1.00 0.00 C ATOM 1195 CG ASN A 76 -8.229 -6.560 -0.982 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -8.423 -7.168 -2.035 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -8.733 -5.356 -0.748 1.00 0.00 N ATOM 0 H ASN A 76 -8.192 -6.529 2.366 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.123 -8.371 0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.978 -6.364 0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.544 -7.695 -0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.307 -4.897 -1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.547 -4.889 0.139 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.246 -9.312 1.901 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.398 -10.470 2.184 1.00 0.00 C ATOM 1206 C PRO A 77 -5.905 -11.278 3.376 1.00 0.00 C ATOM 1207 O PRO A 77 -5.723 -12.494 3.437 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.050 -9.835 2.506 1.00 0.00 C ATOM 1209 CG PRO A 77 -4.397 -8.517 3.108 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.672 -8.068 2.440 1.00 0.00 C ATOM 0 HA PRO A 77 -5.369 -11.176 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.476 -10.450 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.443 -9.715 1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.533 -8.606 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.598 -7.793 2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.348 -7.591 3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.475 -7.343 1.650 1.00 0.00 H new ATOM 1218 N MET A 78 -6.539 -10.591 4.320 1.00 0.00 N ATOM 1219 CA MET A 78 -7.070 -11.239 5.513 1.00 0.00 C ATOM 1220 C MET A 78 -8.329 -12.038 5.193 1.00 0.00 C ATOM 1221 O MET A 78 -8.867 -12.735 6.054 1.00 0.00 O ATOM 1222 CB MET A 78 -7.374 -10.196 6.590 1.00 0.00 C ATOM 1223 CG MET A 78 -7.113 -10.688 8.004 1.00 0.00 C ATOM 1224 SD MET A 78 -6.916 -9.339 9.184 1.00 0.00 S ATOM 1225 CE MET A 78 -8.494 -8.508 9.014 1.00 0.00 C ATOM 0 H MET A 78 -6.698 -9.584 4.282 1.00 0.00 H new ATOM 0 HA MET A 78 -6.313 -11.930 5.885 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.769 -9.308 6.406 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.418 -9.893 6.506 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.939 -11.325 8.321 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.214 -11.305 8.010 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.584 -7.737 9.779 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.559 -8.049 8.027 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.301 -9.231 9.132 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.798 -11.934 3.954 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.989 -12.647 3.529 1.00 0.00 C ATOM 1237 C ALA A 79 -9.837 -13.196 2.115 1.00 0.00 C ATOM 1238 O ALA A 79 -10.775 -13.764 1.556 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.208 -11.742 3.621 1.00 0.00 C ATOM 0 H ALA A 79 -8.368 -11.361 3.228 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.128 -13.495 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.093 -12.290 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.340 -11.413 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.066 -10.873 2.978 1.00 0.00 H new ATOM 1245 N LYS A 80 -8.650 -13.025 1.540 1.00 0.00 N ATOM 1246 CA LYS A 80 -8.379 -13.505 0.190 1.00 0.00 C ATOM 1247 C LYS A 80 -9.286 -14.680 -0.161 1.00 0.00 C ATOM 1248 O LYS A 80 -8.814 -15.834 -0.090 1.00 0.00 O ATOM 1249 CB LYS A 80 -6.913 -13.923 0.060 1.00 0.00 C ATOM 1250 CG LYS A 80 -6.072 -13.576 1.277 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.587 -13.740 0.993 1.00 0.00 C ATOM 1252 CE LYS A 80 -4.346 -14.621 -0.221 1.00 0.00 C ATOM 1253 NZ LYS A 80 -4.646 -16.051 0.061 1.00 0.00 N ATOM 1254 OXT LYS A 80 -10.462 -14.436 -0.505 1.00 0.00 O ATOM 0 H LYS A 80 -7.862 -12.558 1.988 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.582 -12.691 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.864 -14.998 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.483 -13.441 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.274 -12.549 1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.357 -14.216 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.137 -12.761 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.095 -14.175 1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.967 -14.276 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.308 -14.524 -0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.770 -16.543 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.332 -16.115 0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.045 -16.496 -0.790 1.00 0.00 H new