USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 794 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.7!) USER MOD Single : A 17 TYR OH : rot -173:sc= 0.0742 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.909 USER MOD Single : A 25 HIS : no HD1:sc= -0.0944 X(o=-0.094,f=-0.16) USER MOD Single : A 26 ASN : amide:sc= -0.0794 X(o=-0.079,f=-0.4) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= 0.454 K(o=0.45,f=-6.9!) USER MOD Single : A 45 THR OG1 : rot 77:sc= 0.0526 USER MOD Single : B 1 ASP N :NH3+ -173:sc=-0.00367 (180deg=-0.0447) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ -113:sc= 0.0484 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.4!) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0.0237 X(o=0.024,f=-0.27) USER MOD Single : B 17 TYR OH : rot -167:sc= 0.962 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -75:sc= -0.106 USER MOD Single : B 25 HIS : no HD1:sc= 1.02 K(o=1,f=-3.3!) USER MOD Single : B 26 ASN : amide:sc= 1.15 K(o=1.2,f=-0.59) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ -97:sc= 1.25 (180deg=-0.232) USER MOD Single : B 39 HIS : +bothHN:sc= 0.293 K(o=0.29,f=-5.5!) USER MOD Single : B 45 THR OG1 : rot 72:sc= 0.299 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 2.877 9.436 -9.105 1.00 0.00 N ATOM 20 CA TYR A 2 2.340 8.208 -8.504 1.00 0.00 C ATOM 21 C TYR A 2 1.642 7.300 -9.510 1.00 0.00 C ATOM 22 O TYR A 2 1.768 6.087 -9.418 1.00 0.00 O ATOM 23 CB TYR A 2 1.312 8.526 -7.406 1.00 0.00 C ATOM 24 CG TYR A 2 1.563 9.765 -6.575 1.00 0.00 C ATOM 25 CD1 TYR A 2 2.799 9.952 -5.930 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.554 10.741 -6.473 1.00 0.00 C ATOM 27 CE1 TYR A 2 3.030 11.130 -5.197 1.00 0.00 C ATOM 28 CE2 TYR A 2 0.779 11.915 -5.734 1.00 0.00 C ATOM 29 CZ TYR A 2 2.023 12.116 -5.093 1.00 0.00 C ATOM 30 OH TYR A 2 2.260 13.253 -4.383 1.00 0.00 O ATOM 0 HA TYR A 2 3.212 7.696 -8.097 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.333 8.624 -7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.258 7.670 -6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 2 3.566 9.195 -5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.396 10.587 -6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 2 3.982 11.282 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.003 12.662 -5.656 1.00 0.00 H new ATOM 0 HH TYR A 2 1.467 13.828 -4.411 1.00 0.00 H new ATOM 40 N LEU A 3 0.883 7.872 -10.451 1.00 0.00 N ATOM 41 CA LEU A 3 -0.020 7.109 -11.324 1.00 0.00 C ATOM 42 C LEU A 3 0.756 6.156 -12.242 1.00 0.00 C ATOM 43 O LEU A 3 0.397 4.986 -12.375 1.00 0.00 O ATOM 44 CB LEU A 3 -0.926 8.044 -12.141 1.00 0.00 C ATOM 45 CG LEU A 3 -1.750 9.005 -11.268 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.619 9.899 -12.150 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.664 8.297 -10.263 1.00 0.00 C ATOM 0 H LEU A 3 0.876 8.876 -10.630 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.657 6.502 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.312 8.625 -12.829 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.604 7.444 -12.748 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.021 9.585 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.199 10.576 -11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.983 10.479 -12.819 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.296 9.281 -12.739 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.213 9.040 -9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.369 7.661 -10.798 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.062 7.686 -9.591 1.00 0.00 H new ATOM 59 N ARG A 4 1.869 6.640 -12.809 1.00 0.00 N ATOM 60 CA ARG A 4 2.832 5.821 -13.554 1.00 0.00 C ATOM 61 C ARG A 4 3.511 4.793 -12.652 1.00 0.00 C ATOM 62 O ARG A 4 3.674 3.659 -13.077 1.00 0.00 O ATOM 63 CB ARG A 4 3.838 6.735 -14.281 1.00 0.00 C ATOM 64 CG ARG A 4 4.923 5.967 -15.064 1.00 0.00 C ATOM 65 CD ARG A 4 6.230 5.794 -14.273 1.00 0.00 C ATOM 66 NE ARG A 4 7.021 7.039 -14.244 1.00 0.00 N ATOM 67 CZ ARG A 4 8.244 7.189 -13.765 1.00 0.00 C ATOM 68 NH1 ARG A 4 8.893 6.211 -13.195 1.00 0.00 N ATOM 69 NH2 ARG A 4 8.852 8.335 -13.861 1.00 0.00 N ATOM 0 H ARG A 4 2.129 7.625 -12.762 1.00 0.00 H new ATOM 0 HA ARG A 4 2.300 5.244 -14.310 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.295 7.382 -14.970 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.321 7.383 -13.549 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.538 4.985 -15.337 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.135 6.496 -15.993 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.000 5.486 -13.253 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.823 4.997 -14.721 1.00 0.00 H new ATOM 0 HE ARG A 4 6.578 7.871 -14.634 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.458 5.293 -13.107 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.836 6.365 -12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.385 9.124 -14.308 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.796 8.444 -13.489 1.00 0.00 H new ATOM 83 N GLU A 5 3.882 5.140 -11.422 1.00 0.00 N ATOM 84 CA GLU A 5 4.504 4.195 -10.475 1.00 0.00 C ATOM 85 C GLU A 5 3.535 3.083 -9.999 1.00 0.00 C ATOM 86 O GLU A 5 3.947 1.939 -9.802 1.00 0.00 O ATOM 87 CB GLU A 5 5.120 4.999 -9.320 1.00 0.00 C ATOM 88 CG GLU A 5 6.014 4.161 -8.401 1.00 0.00 C ATOM 89 CD GLU A 5 6.960 5.048 -7.561 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.484 5.894 -6.764 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.199 4.893 -7.686 1.00 0.00 O ATOM 0 H GLU A 5 3.764 6.081 -11.046 1.00 0.00 H new ATOM 0 HA GLU A 5 5.296 3.648 -10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.705 5.821 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.319 5.443 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.392 3.561 -7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.603 3.466 -9.000 1.00 0.00 H new ATOM 98 N LEU A 6 2.238 3.395 -9.899 1.00 0.00 N ATOM 99 CA LEU A 6 1.117 2.476 -9.672 1.00 0.00 C ATOM 100 C LEU A 6 0.943 1.494 -10.843 1.00 0.00 C ATOM 101 O LEU A 6 1.001 0.274 -10.666 1.00 0.00 O ATOM 102 CB LEU A 6 -0.164 3.332 -9.470 1.00 0.00 C ATOM 103 CG LEU A 6 -0.743 3.294 -8.050 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.222 3.818 -6.986 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.999 4.165 -7.979 1.00 0.00 C ATOM 0 H LEU A 6 1.922 4.362 -9.980 1.00 0.00 H new ATOM 0 HA LEU A 6 1.312 1.870 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.062 4.367 -9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.927 2.989 -10.168 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.953 2.244 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.252 3.762 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.128 3.212 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.479 4.854 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.406 4.135 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.744 5.193 -8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.743 3.789 -8.681 1.00 0.00 H new ATOM 117 N LEU A 7 0.754 2.040 -12.046 1.00 0.00 N ATOM 118 CA LEU A 7 0.575 1.293 -13.293 1.00 0.00 C ATOM 119 C LEU A 7 1.794 0.436 -13.660 1.00 0.00 C ATOM 120 O LEU A 7 1.638 -0.755 -13.942 1.00 0.00 O ATOM 121 CB LEU A 7 0.255 2.275 -14.437 1.00 0.00 C ATOM 122 CG LEU A 7 -1.169 2.861 -14.389 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.300 4.003 -15.388 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.215 1.814 -14.762 1.00 0.00 C ATOM 0 H LEU A 7 0.720 3.050 -12.184 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.255 0.603 -13.141 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.974 3.094 -14.409 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.393 1.763 -15.389 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.336 3.207 -13.369 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.310 4.410 -15.345 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.583 4.786 -15.141 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.100 3.632 -16.393 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.208 2.260 -14.718 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.024 1.453 -15.772 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.161 0.980 -14.062 1.00 0.00 H new ATOM 136 N LYS A 8 3.006 1.009 -13.611 1.00 0.00 N ATOM 137 CA LYS A 8 4.297 0.337 -13.848 1.00 0.00 C ATOM 138 C LYS A 8 4.725 -0.561 -12.676 1.00 0.00 C ATOM 139 O LYS A 8 5.844 -0.492 -12.161 1.00 0.00 O ATOM 140 CB LYS A 8 5.350 1.386 -14.243 1.00 0.00 C ATOM 141 CG LYS A 8 6.554 0.733 -14.928 1.00 0.00 C ATOM 142 CD LYS A 8 7.516 1.785 -15.483 1.00 0.00 C ATOM 143 CE LYS A 8 8.694 1.021 -16.082 1.00 0.00 C ATOM 144 NZ LYS A 8 9.660 1.921 -16.762 1.00 0.00 N ATOM 0 H LYS A 8 3.120 1.999 -13.395 1.00 0.00 H new ATOM 0 HA LYS A 8 4.187 -0.356 -14.682 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.902 2.120 -14.912 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.681 1.924 -13.355 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.079 0.097 -14.216 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.210 0.089 -15.737 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.026 2.398 -16.239 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.851 2.459 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.207 0.471 -15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.322 0.285 -16.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.442 1.359 -17.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.179 2.428 -17.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.036 2.608 -16.077 1.00 0.00 H new ATOM 158 N GLY A 9 3.810 -1.426 -12.261 1.00 0.00 N ATOM 159 CA GLY A 9 4.128 -2.556 -11.402 1.00 0.00 C ATOM 160 C GLY A 9 3.034 -3.542 -11.059 1.00 0.00 C ATOM 161 O GLY A 9 3.333 -4.723 -10.886 1.00 0.00 O ATOM 0 H GLY A 9 2.823 -1.363 -12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.937 -3.112 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.519 -2.159 -10.466 1.00 0.00 H new ATOM 165 N GLU A 10 1.771 -3.124 -11.027 1.00 0.00 N ATOM 166 CA GLU A 10 0.690 -4.121 -10.886 1.00 0.00 C ATOM 167 C GLU A 10 0.674 -5.114 -12.058 1.00 0.00 C ATOM 168 O GLU A 10 0.406 -6.299 -11.837 1.00 0.00 O ATOM 169 CB GLU A 10 -0.688 -3.463 -10.734 1.00 0.00 C ATOM 170 CG GLU A 10 -1.032 -2.977 -9.313 1.00 0.00 C ATOM 171 CD GLU A 10 -2.526 -3.091 -8.972 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.328 -3.912 -9.446 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.958 -2.913 -7.820 1.00 0.00 O ATOM 0 H GLU A 10 1.470 -2.152 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 10 0.903 -4.672 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.744 -2.613 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.450 -4.175 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.457 -3.556 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.722 -1.937 -9.208 1.00 0.00 H new ATOM 180 N LEU A 11 1.038 -4.696 -13.283 1.00 0.00 N ATOM 181 CA LEU A 11 1.064 -5.615 -14.416 1.00 0.00 C ATOM 182 C LEU A 11 2.094 -6.756 -14.277 1.00 0.00 C ATOM 183 O LEU A 11 1.888 -7.859 -14.787 1.00 0.00 O ATOM 184 CB LEU A 11 1.159 -4.766 -15.689 1.00 0.00 C ATOM 185 CG LEU A 11 2.590 -4.520 -16.179 1.00 0.00 C ATOM 186 CD1 LEU A 11 3.027 -5.579 -17.194 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.693 -3.145 -16.827 1.00 0.00 C ATOM 0 H LEU A 11 1.313 -3.739 -13.504 1.00 0.00 H new ATOM 0 HA LEU A 11 0.140 -6.192 -14.463 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.596 -5.258 -16.482 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.680 -3.804 -15.507 1.00 0.00 H new ATOM 0 HG LEU A 11 3.246 -4.577 -15.310 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.047 -5.372 -17.519 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.987 -6.565 -16.731 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.359 -5.555 -18.055 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.714 -2.981 -17.172 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.011 -3.090 -17.675 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.428 -2.379 -16.098 1.00 0.00 H new ATOM 199 N GLN A 12 3.170 -6.506 -13.528 1.00 0.00 N ATOM 200 CA GLN A 12 4.265 -7.433 -13.261 1.00 0.00 C ATOM 201 C GLN A 12 3.822 -8.621 -12.386 1.00 0.00 C ATOM 202 O GLN A 12 4.432 -9.690 -12.444 1.00 0.00 O ATOM 203 CB GLN A 12 5.419 -6.632 -12.626 1.00 0.00 C ATOM 204 CG GLN A 12 6.776 -7.343 -12.705 1.00 0.00 C ATOM 205 CD GLN A 12 7.950 -6.457 -12.274 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.817 -5.480 -11.548 1.00 0.00 O ATOM 207 NE2 GLN A 12 9.152 -6.747 -12.731 1.00 0.00 N ATOM 0 H GLN A 12 3.305 -5.605 -13.069 1.00 0.00 H new ATOM 0 HA GLN A 12 4.604 -7.882 -14.194 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.495 -5.665 -13.123 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.182 -6.435 -11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.750 -8.232 -12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.942 -7.682 -13.728 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.286 -7.556 -13.337 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.949 -6.162 -12.478 1.00 0.00 H new ATOM 216 N GLY A 13 2.730 -8.459 -11.624 1.00 0.00 N ATOM 217 CA GLY A 13 2.127 -9.525 -10.823 1.00 0.00 C ATOM 218 C GLY A 13 1.091 -10.329 -11.607 1.00 0.00 C ATOM 219 O GLY A 13 1.087 -11.558 -11.511 1.00 0.00 O ATOM 0 H GLY A 13 2.237 -7.569 -11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.910 -10.195 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.655 -9.091 -9.942 1.00 0.00 H new ATOM 223 N ILE A 14 0.271 -9.670 -12.447 1.00 0.00 N ATOM 224 CA ILE A 14 -0.807 -10.338 -13.214 1.00 0.00 C ATOM 225 C ILE A 14 -0.267 -11.535 -14.005 1.00 0.00 C ATOM 226 O ILE A 14 -0.860 -12.619 -14.001 1.00 0.00 O ATOM 227 CB ILE A 14 -1.520 -9.326 -14.147 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.250 -8.252 -13.313 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.527 -10.016 -15.090 1.00 0.00 C ATOM 230 CD1 ILE A 14 -2.797 -7.066 -14.118 1.00 0.00 C ATOM 0 H ILE A 14 0.333 -8.666 -12.615 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.540 -10.720 -12.504 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.750 -8.859 -14.761 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.077 -8.725 -12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.563 -7.872 -12.557 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.002 -9.268 -15.725 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.004 -10.741 -15.713 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.288 -10.527 -14.499 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.292 -6.366 -13.444 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.975 -6.561 -14.626 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.513 -7.427 -14.857 1.00 0.00 H new ATOM 242 N LYS A 15 0.898 -11.355 -14.638 1.00 0.00 N ATOM 243 CA LYS A 15 1.497 -12.353 -15.524 1.00 0.00 C ATOM 244 C LYS A 15 2.285 -13.472 -14.841 1.00 0.00 C ATOM 245 O LYS A 15 2.609 -14.463 -15.494 1.00 0.00 O ATOM 246 CB LYS A 15 2.264 -11.653 -16.649 1.00 0.00 C ATOM 247 CG LYS A 15 3.515 -10.829 -16.300 1.00 0.00 C ATOM 248 CD LYS A 15 4.778 -11.681 -16.109 1.00 0.00 C ATOM 249 CE LYS A 15 6.021 -10.785 -16.164 1.00 0.00 C ATOM 250 NZ LYS A 15 7.274 -11.572 -16.010 1.00 0.00 N ATOM 0 H LYS A 15 1.454 -10.505 -14.547 1.00 0.00 H new ATOM 0 HA LYS A 15 0.667 -12.911 -15.958 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.563 -12.416 -17.367 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.566 -10.990 -17.160 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.694 -10.102 -17.092 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.325 -10.265 -15.387 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.736 -12.202 -15.152 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.834 -12.444 -16.885 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.042 -10.250 -17.113 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.964 -10.034 -15.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.093 -10.932 -16.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.265 -12.063 -15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.341 -12.272 -16.777 1.00 0.00 H new ATOM 264 N GLN A 16 2.561 -13.355 -13.541 1.00 0.00 N ATOM 265 CA GLN A 16 3.152 -14.416 -12.741 1.00 0.00 C ATOM 266 C GLN A 16 2.068 -15.283 -12.099 1.00 0.00 C ATOM 267 O GLN A 16 2.207 -16.503 -12.044 1.00 0.00 O ATOM 268 CB GLN A 16 4.031 -13.782 -11.657 1.00 0.00 C ATOM 269 CG GLN A 16 5.407 -13.277 -12.119 1.00 0.00 C ATOM 270 CD GLN A 16 6.413 -14.397 -12.403 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.172 -15.332 -13.153 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.598 -14.342 -11.833 1.00 0.00 N ATOM 0 H GLN A 16 2.375 -12.504 -13.011 1.00 0.00 H new ATOM 0 HA GLN A 16 3.755 -15.058 -13.383 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.487 -12.945 -11.219 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.182 -14.515 -10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.280 -12.678 -13.021 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.817 -12.618 -11.354 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.826 -13.573 -11.203 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.289 -15.068 -12.021 1.00 0.00 H new ATOM 281 N TYR A 17 0.957 -14.674 -11.679 1.00 0.00 N ATOM 282 CA TYR A 17 -0.169 -15.376 -11.074 1.00 0.00 C ATOM 283 C TYR A 17 -0.769 -16.454 -11.980 1.00 0.00 C ATOM 284 O TYR A 17 -1.028 -17.567 -11.516 1.00 0.00 O ATOM 285 CB TYR A 17 -1.245 -14.356 -10.685 1.00 0.00 C ATOM 286 CG TYR A 17 -0.950 -13.541 -9.434 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.507 -14.171 -8.251 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.161 -12.147 -9.439 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.259 -13.410 -7.093 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.927 -11.385 -8.278 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.479 -12.018 -7.098 1.00 0.00 C ATOM 292 OH TYR A 17 -0.366 -11.319 -5.938 1.00 0.00 O ATOM 0 H TYR A 17 0.816 -13.666 -11.752 1.00 0.00 H new ATOM 0 HA TYR A 17 0.208 -15.894 -10.192 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.390 -13.670 -11.519 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.187 -14.885 -10.540 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.358 -15.241 -8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.505 -11.660 -10.340 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.101 -13.895 -6.198 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.090 -10.317 -8.290 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.658 -10.395 -6.083 1.00 0.00 H new ATOM 302 N ARG A 18 -0.948 -16.165 -13.278 1.00 0.00 N ATOM 303 CA ARG A 18 -1.490 -17.161 -14.216 1.00 0.00 C ATOM 304 C ARG A 18 -0.542 -18.349 -14.436 1.00 0.00 C ATOM 305 O ARG A 18 -0.996 -19.470 -14.650 1.00 0.00 O ATOM 306 CB ARG A 18 -1.903 -16.512 -15.548 1.00 0.00 C ATOM 307 CG ARG A 18 -3.323 -16.949 -15.937 1.00 0.00 C ATOM 308 CD ARG A 18 -3.696 -16.515 -17.358 1.00 0.00 C ATOM 309 NE ARG A 18 -5.102 -16.860 -17.657 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.622 -17.196 -18.827 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.913 -17.254 -19.918 1.00 0.00 N ATOM 312 NH2 ARG A 18 -6.888 -17.486 -18.919 1.00 0.00 N ATOM 0 H ARG A 18 -0.729 -15.262 -13.698 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.388 -17.568 -13.751 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.861 -15.426 -15.460 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.201 -16.796 -16.332 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.401 -18.033 -15.858 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.037 -16.526 -15.231 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.549 -15.440 -17.466 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.036 -17.001 -18.077 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.748 -16.836 -16.868 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.917 -17.036 -19.891 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.354 -17.518 -20.799 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.480 -17.454 -18.089 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.288 -17.745 -19.821 1.00 0.00 H new ATOM 326 N GLU A 19 0.767 -18.111 -14.337 1.00 0.00 N ATOM 327 CA GLU A 19 1.812 -19.143 -14.405 1.00 0.00 C ATOM 328 C GLU A 19 1.918 -19.977 -13.112 1.00 0.00 C ATOM 329 O GLU A 19 2.269 -21.154 -13.152 1.00 0.00 O ATOM 330 CB GLU A 19 3.173 -18.476 -14.672 1.00 0.00 C ATOM 331 CG GLU A 19 3.945 -19.115 -15.837 1.00 0.00 C ATOM 332 CD GLU A 19 3.362 -18.726 -17.212 1.00 0.00 C ATOM 333 OE1 GLU A 19 2.368 -19.350 -17.657 1.00 0.00 O ATOM 334 OE2 GLU A 19 3.911 -17.812 -17.873 1.00 0.00 O ATOM 0 H GLU A 19 1.143 -17.172 -14.204 1.00 0.00 H new ATOM 0 HA GLU A 19 1.536 -19.819 -15.214 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.016 -17.419 -14.886 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.781 -18.532 -13.769 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.990 -18.809 -15.788 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.926 -20.200 -15.731 1.00 0.00 H new ATOM 341 N ALA A 20 1.633 -19.372 -11.956 1.00 0.00 N ATOM 342 CA ALA A 20 1.838 -19.957 -10.633 1.00 0.00 C ATOM 343 C ALA A 20 0.817 -21.044 -10.293 1.00 0.00 C ATOM 344 O ALA A 20 1.191 -22.011 -9.628 1.00 0.00 O ATOM 345 CB ALA A 20 1.817 -18.834 -9.588 1.00 0.00 C ATOM 0 H ALA A 20 1.241 -18.431 -11.916 1.00 0.00 H new ATOM 0 HA ALA A 20 2.808 -20.455 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.969 -19.258 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.613 -18.121 -9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.854 -18.324 -9.621 1.00 0.00 H new ATOM 351 N LEU A 21 -0.421 -20.948 -10.808 1.00 0.00 N ATOM 352 CA LEU A 21 -1.461 -21.981 -10.673 1.00 0.00 C ATOM 353 C LEU A 21 -0.970 -23.369 -11.089 1.00 0.00 C ATOM 354 O LEU A 21 -1.441 -24.361 -10.542 1.00 0.00 O ATOM 355 CB LEU A 21 -2.748 -21.537 -11.390 1.00 0.00 C ATOM 356 CG LEU A 21 -3.944 -22.507 -11.270 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.260 -21.728 -11.250 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.025 -23.487 -12.446 1.00 0.00 C ATOM 0 H LEU A 21 -0.732 -20.135 -11.340 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.704 -22.087 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.048 -20.567 -10.993 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.523 -21.394 -12.447 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.789 -23.061 -10.344 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.094 -22.425 -11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.267 -21.048 -10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.358 -21.156 -12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.883 -24.146 -12.312 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.137 -22.930 -13.376 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.113 -24.083 -12.487 1.00 0.00 H new ATOM 370 N GLU A 22 0.028 -23.458 -11.974 1.00 0.00 N ATOM 371 CA GLU A 22 0.639 -24.752 -12.331 1.00 0.00 C ATOM 372 C GLU A 22 1.359 -25.472 -11.177 1.00 0.00 C ATOM 373 O GLU A 22 1.524 -26.693 -11.226 1.00 0.00 O ATOM 374 CB GLU A 22 1.628 -24.578 -13.485 1.00 0.00 C ATOM 375 CG GLU A 22 1.075 -25.101 -14.820 1.00 0.00 C ATOM 376 CD GLU A 22 0.971 -26.642 -14.847 1.00 0.00 C ATOM 377 OE1 GLU A 22 -0.017 -27.204 -14.313 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.873 -27.304 -15.418 1.00 0.00 O ATOM 0 H GLU A 22 0.432 -22.656 -12.457 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.204 -25.382 -12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.878 -23.522 -13.588 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.553 -25.103 -13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.090 -24.669 -14.997 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.720 -24.768 -15.633 1.00 0.00 H new ATOM 385 N TYR A 23 1.760 -24.740 -10.137 1.00 0.00 N ATOM 386 CA TYR A 23 2.426 -25.271 -8.942 1.00 0.00 C ATOM 387 C TYR A 23 1.551 -25.139 -7.688 1.00 0.00 C ATOM 388 O TYR A 23 1.620 -25.985 -6.793 1.00 0.00 O ATOM 389 CB TYR A 23 3.759 -24.538 -8.742 1.00 0.00 C ATOM 390 CG TYR A 23 4.809 -24.845 -9.794 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.614 -25.994 -9.657 1.00 0.00 C ATOM 392 CD2 TYR A 23 4.986 -23.989 -10.900 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.601 -26.282 -10.619 1.00 0.00 C ATOM 394 CE2 TYR A 23 5.975 -24.274 -11.864 1.00 0.00 C ATOM 395 CZ TYR A 23 6.787 -25.423 -11.724 1.00 0.00 C ATOM 396 OH TYR A 23 7.750 -25.710 -12.643 1.00 0.00 O ATOM 0 H TYR A 23 1.627 -23.729 -10.100 1.00 0.00 H new ATOM 0 HA TYR A 23 2.604 -26.335 -9.095 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.572 -23.464 -8.736 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.158 -24.797 -7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.474 -26.654 -8.814 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.363 -23.113 -11.009 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.217 -27.162 -10.511 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.112 -23.615 -12.709 1.00 0.00 H new ATOM 0 HH TYR A 23 7.750 -25.023 -13.342 1.00 0.00 H new ATOM 406 N THR A 24 0.701 -24.112 -7.626 1.00 0.00 N ATOM 407 CA THR A 24 -0.143 -23.795 -6.464 1.00 0.00 C ATOM 408 C THR A 24 -1.536 -24.433 -6.509 1.00 0.00 C ATOM 409 O THR A 24 -2.108 -24.688 -5.449 1.00 0.00 O ATOM 410 CB THR A 24 -0.297 -22.275 -6.338 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.758 -21.748 -7.542 1.00 0.00 O ATOM 412 CG2 THR A 24 1.021 -21.568 -6.017 1.00 0.00 C ATOM 0 H THR A 24 0.575 -23.459 -8.400 1.00 0.00 H new ATOM 0 HA THR A 24 0.368 -24.217 -5.599 1.00 0.00 H new ATOM 0 HB THR A 24 -0.998 -22.107 -5.520 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.299 -20.902 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.849 -20.494 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.413 -21.941 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.742 -21.764 -6.811 1.00 0.00 H new ATOM 420 N HIS A 25 -2.066 -24.725 -7.709 1.00 0.00 N ATOM 421 CA HIS A 25 -3.375 -25.353 -8.002 1.00 0.00 C ATOM 422 C HIS A 25 -4.513 -25.028 -6.997 1.00 0.00 C ATOM 423 O HIS A 25 -5.178 -25.932 -6.483 1.00 0.00 O ATOM 424 CB HIS A 25 -3.193 -26.871 -8.242 1.00 0.00 C ATOM 425 CG HIS A 25 -2.669 -27.212 -9.614 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.431 -27.470 -10.741 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.356 -27.314 -9.970 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.590 -27.716 -11.768 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.322 -27.631 -11.319 1.00 0.00 N ATOM 0 H HIS A 25 -1.556 -24.514 -8.567 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.733 -24.890 -8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.508 -27.268 -7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.151 -27.370 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.503 -27.174 -9.322 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.885 -27.943 -12.782 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.480 -27.775 -11.877 1.00 0.00 H new ATOM 438 N ASN A 26 -4.740 -23.743 -6.702 1.00 0.00 N ATOM 439 CA ASN A 26 -5.647 -23.288 -5.634 1.00 0.00 C ATOM 440 C ASN A 26 -6.780 -22.370 -6.144 1.00 0.00 C ATOM 441 O ASN A 26 -6.615 -21.692 -7.161 1.00 0.00 O ATOM 442 CB ASN A 26 -4.799 -22.641 -4.507 1.00 0.00 C ATOM 443 CG ASN A 26 -4.692 -23.499 -3.248 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.762 -24.719 -3.263 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.556 -22.883 -2.095 1.00 0.00 N ATOM 0 H ASN A 26 -4.293 -22.976 -7.204 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.174 -24.152 -5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.797 -22.443 -4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.236 -21.678 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.510 -23.423 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.496 -21.865 -2.064 1.00 0.00 H new ATOM 452 N PRO A 27 -7.911 -22.267 -5.413 1.00 0.00 N ATOM 453 CA PRO A 27 -9.041 -21.388 -5.757 1.00 0.00 C ATOM 454 C PRO A 27 -8.774 -19.904 -5.450 1.00 0.00 C ATOM 455 O PRO A 27 -9.692 -19.084 -5.465 1.00 0.00 O ATOM 456 CB PRO A 27 -10.210 -21.933 -4.923 1.00 0.00 C ATOM 457 CG PRO A 27 -9.519 -22.414 -3.649 1.00 0.00 C ATOM 458 CD PRO A 27 -8.213 -22.998 -4.183 1.00 0.00 C ATOM 0 HA PRO A 27 -9.239 -21.402 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.952 -21.163 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.728 -22.745 -5.434 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.342 -21.597 -2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.113 -23.161 -3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.410 -22.884 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.316 -24.065 -4.380 1.00 0.00 H new ATOM 466 N VAL A 28 -7.524 -19.545 -5.142 1.00 0.00 N ATOM 467 CA VAL A 28 -7.139 -18.246 -4.590 1.00 0.00 C ATOM 468 C VAL A 28 -6.574 -17.362 -5.692 1.00 0.00 C ATOM 469 O VAL A 28 -6.864 -16.174 -5.742 1.00 0.00 O ATOM 470 CB VAL A 28 -6.136 -18.458 -3.449 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.879 -17.143 -2.741 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.610 -19.454 -2.377 1.00 0.00 C ATOM 0 H VAL A 28 -6.729 -20.171 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.011 -17.736 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.242 -18.862 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.166 -17.299 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.472 -16.422 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.814 -16.761 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.846 -19.549 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.536 -19.093 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.785 -20.427 -2.836 1.00 0.00 H new ATOM 482 N LEU A 29 -5.868 -17.944 -6.659 1.00 0.00 N ATOM 483 CA LEU A 29 -5.409 -17.246 -7.858 1.00 0.00 C ATOM 484 C LEU A 29 -6.602 -16.780 -8.720 1.00 0.00 C ATOM 485 O LEU A 29 -6.561 -15.691 -9.294 1.00 0.00 O ATOM 486 CB LEU A 29 -4.432 -18.169 -8.606 1.00 0.00 C ATOM 487 CG LEU A 29 -3.299 -18.716 -7.703 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.503 -20.202 -7.419 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.927 -18.506 -8.335 1.00 0.00 C ATOM 0 H LEU A 29 -5.595 -18.926 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.877 -16.332 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.986 -19.006 -9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.992 -17.622 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.339 -18.159 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.696 -20.565 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.457 -20.348 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.502 -20.755 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.157 -18.902 -7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.884 -19.025 -9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.758 -17.441 -8.492 1.00 0.00 H new ATOM 501 N ALA A 30 -7.712 -17.534 -8.683 1.00 0.00 N ATOM 502 CA ALA A 30 -9.033 -17.157 -9.205 1.00 0.00 C ATOM 503 C ALA A 30 -9.756 -16.035 -8.411 1.00 0.00 C ATOM 504 O ALA A 30 -10.905 -15.706 -8.715 1.00 0.00 O ATOM 505 CB ALA A 30 -9.886 -18.433 -9.273 1.00 0.00 C ATOM 0 H ALA A 30 -7.712 -18.466 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.887 -16.719 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.876 -18.189 -9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.408 -19.155 -9.935 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.980 -18.862 -8.275 1.00 0.00 H new ATOM 511 N LYS A 31 -9.088 -15.427 -7.420 1.00 0.00 N ATOM 512 CA LYS A 31 -9.492 -14.210 -6.705 1.00 0.00 C ATOM 513 C LYS A 31 -8.407 -13.133 -6.749 1.00 0.00 C ATOM 514 O LYS A 31 -8.733 -11.968 -6.958 1.00 0.00 O ATOM 515 CB LYS A 31 -9.878 -14.523 -5.247 1.00 0.00 C ATOM 516 CG LYS A 31 -11.006 -15.556 -5.107 1.00 0.00 C ATOM 517 CD LYS A 31 -11.406 -15.732 -3.635 1.00 0.00 C ATOM 518 CE LYS A 31 -12.482 -16.817 -3.510 1.00 0.00 C ATOM 519 NZ LYS A 31 -12.960 -16.958 -2.109 1.00 0.00 N ATOM 0 H LYS A 31 -8.200 -15.794 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.369 -13.818 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.997 -14.889 -4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.183 -13.599 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.871 -15.237 -5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.682 -16.512 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.533 -16.004 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.780 -14.789 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.323 -16.572 -4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.080 -17.770 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.687 -17.701 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.162 -17.216 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.366 -16.056 -1.788 1.00 0.00 H new ATOM 533 N ILE A 32 -7.128 -13.511 -6.639 1.00 0.00 N ATOM 534 CA ILE A 32 -6.006 -12.560 -6.661 1.00 0.00 C ATOM 535 C ILE A 32 -5.910 -11.853 -8.015 1.00 0.00 C ATOM 536 O ILE A 32 -6.243 -10.674 -8.109 1.00 0.00 O ATOM 537 CB ILE A 32 -4.650 -13.191 -6.265 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.606 -13.885 -4.885 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.617 -12.055 -6.224 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.481 -14.933 -4.812 1.00 0.00 C ATOM 0 H ILE A 32 -6.840 -14.484 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.227 -11.819 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.455 -13.968 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.458 -13.137 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.564 -14.365 -4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.643 -12.459 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.551 -11.588 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.923 -11.311 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.482 -15.399 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.643 -15.695 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.520 -14.448 -4.983 1.00 0.00 H new ATOM 552 N LEU A 33 -5.495 -12.550 -9.082 1.00 0.00 N ATOM 553 CA LEU A 33 -5.346 -11.907 -10.391 1.00 0.00 C ATOM 554 C LEU A 33 -6.715 -11.566 -11.004 1.00 0.00 C ATOM 555 O LEU A 33 -6.805 -10.688 -11.855 1.00 0.00 O ATOM 556 CB LEU A 33 -4.410 -12.727 -11.304 1.00 0.00 C ATOM 557 CG LEU A 33 -5.103 -13.748 -12.225 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.095 -13.302 -13.686 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.478 -15.141 -12.158 1.00 0.00 C ATOM 0 H LEU A 33 -5.260 -13.543 -9.065 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.850 -10.944 -10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.839 -12.035 -11.923 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.694 -13.258 -10.677 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.126 -13.800 -11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.594 -14.053 -14.298 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.619 -12.351 -13.779 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.066 -13.184 -14.025 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.013 -15.812 -12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.432 -15.085 -12.458 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.544 -15.521 -11.138 1.00 0.00 H new ATOM 571 N GLU A 34 -7.784 -12.225 -10.533 1.00 0.00 N ATOM 572 CA GLU A 34 -9.161 -11.867 -10.868 1.00 0.00 C ATOM 573 C GLU A 34 -9.488 -10.421 -10.450 1.00 0.00 C ATOM 574 O GLU A 34 -10.130 -9.698 -11.210 1.00 0.00 O ATOM 575 CB GLU A 34 -10.115 -12.878 -10.219 1.00 0.00 C ATOM 576 CG GLU A 34 -11.585 -12.749 -10.647 1.00 0.00 C ATOM 577 CD GLU A 34 -11.823 -13.038 -12.144 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.241 -14.005 -12.694 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.631 -12.317 -12.778 1.00 0.00 O ATOM 0 H GLU A 34 -7.712 -13.026 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.287 -11.908 -11.950 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.770 -13.884 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.056 -12.767 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.189 -13.435 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.933 -11.741 -10.421 1.00 0.00 H new ATOM 586 N ASP A 35 -8.998 -9.957 -9.292 1.00 0.00 N ATOM 587 CA ASP A 35 -9.071 -8.546 -8.900 1.00 0.00 C ATOM 588 C ASP A 35 -8.079 -7.660 -9.650 1.00 0.00 C ATOM 589 O ASP A 35 -8.472 -6.607 -10.156 1.00 0.00 O ATOM 590 CB ASP A 35 -8.778 -8.424 -7.406 1.00 0.00 C ATOM 591 CG ASP A 35 -9.811 -9.029 -6.445 1.00 0.00 C ATOM 592 OD1 ASP A 35 -11.005 -9.171 -6.809 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.405 -9.305 -5.290 1.00 0.00 O ATOM 0 H ASP A 35 -8.540 -10.551 -8.601 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.076 -8.205 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.815 -8.895 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.670 -7.366 -7.166 1.00 0.00 H new ATOM 598 N GLU A 36 -6.814 -8.077 -9.781 1.00 0.00 N ATOM 599 CA GLU A 36 -5.814 -7.315 -10.538 1.00 0.00 C ATOM 600 C GLU A 36 -6.238 -7.043 -12.002 1.00 0.00 C ATOM 601 O GLU A 36 -5.757 -6.090 -12.615 1.00 0.00 O ATOM 602 CB GLU A 36 -4.450 -8.023 -10.498 1.00 0.00 C ATOM 603 CG GLU A 36 -3.870 -8.410 -9.123 1.00 0.00 C ATOM 604 CD GLU A 36 -3.455 -7.245 -8.226 1.00 0.00 C ATOM 605 OE1 GLU A 36 -4.004 -6.122 -8.312 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.584 -7.415 -7.330 1.00 0.00 O ATOM 0 H GLU A 36 -6.458 -8.941 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.732 -6.344 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.529 -8.932 -11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.725 -7.378 -10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.611 -9.007 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.001 -9.049 -9.283 1.00 0.00 H new ATOM 613 N GLU A 37 -7.183 -7.819 -12.548 1.00 0.00 N ATOM 614 CA GLU A 37 -7.741 -7.616 -13.895 1.00 0.00 C ATOM 615 C GLU A 37 -8.646 -6.371 -13.977 1.00 0.00 C ATOM 616 O GLU A 37 -8.659 -5.679 -15.000 1.00 0.00 O ATOM 617 CB GLU A 37 -8.521 -8.871 -14.326 1.00 0.00 C ATOM 618 CG GLU A 37 -8.756 -8.915 -15.842 1.00 0.00 C ATOM 619 CD GLU A 37 -9.491 -10.201 -16.266 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.827 -11.245 -16.478 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.737 -10.168 -16.422 1.00 0.00 O ATOM 0 H GLU A 37 -7.589 -8.618 -12.061 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.906 -7.446 -14.575 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.972 -9.761 -14.019 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.481 -8.895 -13.810 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.339 -8.045 -16.146 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.799 -8.854 -16.361 1.00 0.00 H new ATOM 628 N LYS A 38 -9.364 -6.047 -12.889 1.00 0.00 N ATOM 629 CA LYS A 38 -10.121 -4.788 -12.755 1.00 0.00 C ATOM 630 C LYS A 38 -9.215 -3.640 -12.369 1.00 0.00 C ATOM 631 O LYS A 38 -9.353 -2.569 -12.943 1.00 0.00 O ATOM 632 CB LYS A 38 -11.241 -4.857 -11.699 1.00 0.00 C ATOM 633 CG LYS A 38 -12.445 -5.723 -12.085 1.00 0.00 C ATOM 634 CD LYS A 38 -12.304 -7.166 -11.606 1.00 0.00 C ATOM 635 CE LYS A 38 -12.744 -7.366 -10.150 1.00 0.00 C ATOM 636 NZ LYS A 38 -14.180 -7.745 -10.063 1.00 0.00 N ATOM 0 H LYS A 38 -9.437 -6.654 -12.072 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.566 -4.627 -13.737 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.820 -5.241 -10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.591 -3.845 -11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.351 -5.290 -11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.563 -5.713 -13.169 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.897 -7.815 -12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.264 -7.477 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.133 -8.141 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.574 -6.448 -9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.446 -7.873 -9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.763 -6.994 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.336 -8.634 -10.579 1.00 0.00 H new ATOM 650 N HIS A 39 -8.301 -3.849 -11.417 1.00 0.00 N ATOM 651 CA HIS A 39 -7.525 -2.816 -10.747 1.00 0.00 C ATOM 652 C HIS A 39 -6.906 -1.785 -11.690 1.00 0.00 C ATOM 653 O HIS A 39 -7.084 -0.586 -11.488 1.00 0.00 O ATOM 654 CB HIS A 39 -6.443 -3.533 -9.960 1.00 0.00 C ATOM 655 CG HIS A 39 -6.844 -4.040 -8.612 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.931 -4.185 -7.567 1.00 0.00 N ATOM 657 CD2 HIS A 39 -8.091 -4.393 -8.188 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.666 -4.617 -6.523 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.957 -4.754 -6.870 1.00 0.00 N ATOM 0 H HIS A 39 -8.076 -4.786 -11.082 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.192 -2.237 -10.109 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.087 -4.376 -10.553 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.600 -2.853 -9.835 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.927 -4.004 -7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.000 -4.389 -8.771 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.271 -4.825 -5.540 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.709 -5.072 -6.259 1.00 0.00 H new ATOM 667 N ILE A 40 -6.220 -2.240 -12.739 1.00 0.00 N ATOM 668 CA ILE A 40 -5.552 -1.347 -13.692 1.00 0.00 C ATOM 669 C ILE A 40 -6.519 -0.472 -14.493 1.00 0.00 C ATOM 670 O ILE A 40 -6.176 0.660 -14.830 1.00 0.00 O ATOM 671 CB ILE A 40 -4.614 -2.188 -14.582 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.473 -2.770 -13.723 1.00 0.00 C ATOM 673 CG2 ILE A 40 -4.021 -1.430 -15.782 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.608 -1.739 -12.988 1.00 0.00 C ATOM 0 H ILE A 40 -6.111 -3.231 -12.953 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.958 -0.625 -13.133 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.233 -2.979 -15.006 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.905 -3.447 -12.986 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.827 -3.369 -14.365 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.375 -2.098 -16.351 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.828 -1.073 -16.422 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.439 -0.580 -15.424 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.837 -2.254 -12.414 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.138 -1.075 -13.713 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.233 -1.155 -12.313 1.00 0.00 H new ATOM 686 N GLU A 41 -7.745 -0.937 -14.735 1.00 0.00 N ATOM 687 CA GLU A 41 -8.819 -0.103 -15.281 1.00 0.00 C ATOM 688 C GLU A 41 -9.479 0.763 -14.192 1.00 0.00 C ATOM 689 O GLU A 41 -9.729 1.948 -14.403 1.00 0.00 O ATOM 690 CB GLU A 41 -9.840 -0.996 -16.014 1.00 0.00 C ATOM 691 CG GLU A 41 -10.349 -0.320 -17.292 1.00 0.00 C ATOM 692 CD GLU A 41 -11.292 -1.247 -18.081 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.800 -2.145 -18.804 1.00 0.00 O ATOM 694 OE2 GLU A 41 -12.530 -1.077 -18.000 1.00 0.00 O ATOM 0 H GLU A 41 -8.023 -1.902 -14.558 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.393 0.595 -16.001 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.379 -1.951 -16.264 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.680 -1.211 -15.353 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.873 0.601 -17.035 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.503 -0.040 -17.919 1.00 0.00 H new ATOM 701 N TRP A 42 -9.673 0.211 -12.992 1.00 0.00 N ATOM 702 CA TRP A 42 -10.205 0.882 -11.794 1.00 0.00 C ATOM 703 C TRP A 42 -9.451 2.158 -11.350 1.00 0.00 C ATOM 704 O TRP A 42 -10.072 3.050 -10.780 1.00 0.00 O ATOM 705 CB TRP A 42 -10.295 -0.189 -10.687 1.00 0.00 C ATOM 706 CG TRP A 42 -11.563 -0.988 -10.600 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.583 -0.969 -11.488 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.934 -1.986 -9.596 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.578 -1.831 -11.077 1.00 0.00 N ATOM 710 CE2 TRP A 42 -13.221 -2.509 -9.930 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.295 -2.535 -8.461 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.840 -3.521 -9.181 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.904 -3.557 -7.708 1.00 0.00 C ATOM 714 CH2 TRP A 42 -13.172 -4.050 -8.063 1.00 0.00 C ATOM 0 H TRP A 42 -9.453 -0.769 -12.816 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.189 1.287 -12.032 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.467 -0.885 -10.823 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.142 0.305 -9.727 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.614 -0.368 -12.385 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.468 -1.952 -11.561 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.324 -2.165 -8.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.817 -3.889 -9.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.392 -3.966 -6.849 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.632 -4.833 -7.478 1.00 0.00 H new ATOM 725 N LEU A 43 -8.164 2.302 -11.682 1.00 0.00 N ATOM 726 CA LEU A 43 -7.323 3.510 -11.493 1.00 0.00 C ATOM 727 C LEU A 43 -6.967 4.263 -12.792 1.00 0.00 C ATOM 728 O LEU A 43 -6.065 5.098 -12.809 1.00 0.00 O ATOM 729 CB LEU A 43 -6.130 3.181 -10.579 1.00 0.00 C ATOM 730 CG LEU A 43 -5.206 2.081 -11.129 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.883 2.639 -11.635 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.871 1.061 -10.046 1.00 0.00 C ATOM 0 H LEU A 43 -7.642 1.540 -12.115 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.929 4.254 -10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.545 4.087 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.507 2.871 -9.604 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.752 1.619 -11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.265 1.824 -12.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.072 3.353 -12.436 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.363 3.140 -10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.217 0.293 -10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.367 1.561 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.790 0.599 -9.685 1.00 0.00 H new ATOM 744 N GLU A 44 -7.738 4.041 -13.857 1.00 0.00 N ATOM 745 CA GLU A 44 -7.719 4.776 -15.122 1.00 0.00 C ATOM 746 C GLU A 44 -9.104 5.393 -15.399 1.00 0.00 C ATOM 747 O GLU A 44 -9.204 6.560 -15.776 1.00 0.00 O ATOM 748 CB GLU A 44 -7.317 3.778 -16.223 1.00 0.00 C ATOM 749 CG GLU A 44 -5.949 4.065 -16.863 1.00 0.00 C ATOM 750 CD GLU A 44 -5.985 5.112 -17.999 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.911 5.953 -18.056 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.068 5.092 -18.856 1.00 0.00 O ATOM 0 H GLU A 44 -8.436 3.297 -13.859 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.005 5.599 -15.089 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.305 2.773 -15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.079 3.787 -17.002 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.264 4.410 -16.089 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.542 3.133 -17.256 1.00 0.00 H new ATOM 759 N THR A 45 -10.187 4.669 -15.092 1.00 0.00 N ATOM 760 CA THR A 45 -11.569 5.155 -15.115 1.00 0.00 C ATOM 761 C THR A 45 -11.748 6.468 -14.341 1.00 0.00 C ATOM 762 O THR A 45 -12.475 7.356 -14.790 1.00 0.00 O ATOM 763 CB THR A 45 -12.514 4.061 -14.597 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.523 2.990 -15.519 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.964 4.504 -14.419 1.00 0.00 C ATOM 0 H THR A 45 -10.121 3.691 -14.810 1.00 0.00 H new ATOM 0 HA THR A 45 -11.824 5.383 -16.150 1.00 0.00 H new ATOM 0 HB THR A 45 -12.131 3.786 -13.615 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.706 2.460 -15.412 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.557 3.667 -14.050 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.009 5.324 -13.702 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.363 4.837 -15.377 1.00 0.00 H new ATOM 773 N ILE A 46 -11.043 6.624 -13.211 1.00 0.00 N ATOM 774 CA ILE A 46 -11.053 7.863 -12.408 1.00 0.00 C ATOM 775 C ILE A 46 -10.451 9.056 -13.158 1.00 0.00 C ATOM 776 O ILE A 46 -11.044 10.136 -13.201 1.00 0.00 O ATOM 777 CB ILE A 46 -10.315 7.685 -11.058 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.638 6.366 -10.335 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.608 8.872 -10.123 1.00 0.00 C ATOM 780 CD1 ILE A 46 -12.131 6.090 -10.090 1.00 0.00 C ATOM 0 H ILE A 46 -10.446 5.893 -12.824 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.105 8.074 -12.214 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.254 7.650 -11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.226 5.543 -10.918 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.124 6.364 -9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.081 8.730 -9.179 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.270 9.796 -10.592 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.680 8.931 -9.935 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.245 5.136 -9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.552 6.886 -9.476 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.655 6.052 -11.045 1.00 0.00 H new ATOM 792 N LEU A 47 -9.263 8.861 -13.737 1.00 0.00 N ATOM 793 CA LEU A 47 -8.465 9.938 -14.329 1.00 0.00 C ATOM 794 C LEU A 47 -8.999 10.404 -15.697 1.00 0.00 C ATOM 795 O LEU A 47 -8.807 11.565 -16.068 1.00 0.00 O ATOM 796 CB LEU A 47 -6.961 9.580 -14.306 1.00 0.00 C ATOM 797 CG LEU A 47 -6.412 8.705 -15.455 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.971 9.529 -16.669 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.181 7.928 -14.985 1.00 0.00 C ATOM 0 H LEU A 47 -8.824 7.943 -13.809 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.574 10.824 -13.703 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.395 10.511 -14.294 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.753 9.069 -13.366 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.230 8.044 -15.742 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.594 8.862 -17.444 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.821 10.091 -17.056 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.183 10.221 -16.372 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.803 7.315 -15.803 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.408 8.628 -14.669 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.454 7.286 -14.147 1.00 0.00 H new ATOM 811 N GLY A 48 -9.702 9.528 -16.426 1.00 0.00 N ATOM 812 CA GLY A 48 -10.392 9.868 -17.678 1.00 0.00 C ATOM 813 C GLY A 48 -10.963 8.684 -18.475 1.00 0.00 C ATOM 814 O GLY A 48 -11.764 8.884 -19.388 1.00 0.00 O ATOM 0 H GLY A 48 -9.809 8.549 -16.159 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.209 10.552 -17.446 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.695 10.409 -18.318 1.00 0.00 H new ATOM 828 N ASP B 1 11.393 -18.925 -6.883 1.00 0.00 N ATOM 829 CA ASP B 1 11.852 -17.519 -6.890 1.00 0.00 C ATOM 830 C ASP B 1 10.730 -16.494 -7.154 1.00 0.00 C ATOM 831 O ASP B 1 10.782 -15.359 -6.679 1.00 0.00 O ATOM 832 CB ASP B 1 12.964 -17.376 -7.938 1.00 0.00 C ATOM 833 CG ASP B 1 13.753 -16.069 -7.775 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.468 -15.918 -6.758 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.697 -15.210 -8.683 1.00 0.00 O ATOM 0 H1 ASP B 1 12.174 -19.544 -6.584 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.597 -19.027 -6.221 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.085 -19.194 -7.839 1.00 0.00 H new ATOM 0 HA ASP B 1 12.221 -17.292 -5.890 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.646 -18.222 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.527 -17.412 -8.936 1.00 0.00 H new ATOM 840 N TYR B 2 9.684 -16.920 -7.867 1.00 0.00 N ATOM 841 CA TYR B 2 8.482 -16.128 -8.156 1.00 0.00 C ATOM 842 C TYR B 2 7.804 -15.591 -6.893 1.00 0.00 C ATOM 843 O TYR B 2 7.307 -14.471 -6.886 1.00 0.00 O ATOM 844 CB TYR B 2 7.439 -16.979 -8.900 1.00 0.00 C ATOM 845 CG TYR B 2 7.944 -17.984 -9.917 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.976 -17.655 -10.817 1.00 0.00 C ATOM 847 CD2 TYR B 2 7.377 -19.274 -9.944 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.447 -18.615 -11.731 1.00 0.00 C ATOM 849 CE2 TYR B 2 7.841 -20.235 -10.858 1.00 0.00 C ATOM 850 CZ TYR B 2 8.882 -19.911 -11.755 1.00 0.00 C ATOM 851 OH TYR B 2 9.336 -20.847 -12.632 1.00 0.00 O ATOM 0 H TYR B 2 9.648 -17.855 -8.273 1.00 0.00 H new ATOM 0 HA TYR B 2 8.823 -15.290 -8.764 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.855 -17.520 -8.155 1.00 0.00 H new ATOM 0 HB3 TYR B 2 6.755 -16.301 -9.410 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.406 -16.665 -10.805 1.00 0.00 H new ATOM 0 HD2 TYR B 2 6.581 -19.525 -9.258 1.00 0.00 H new ATOM 0 HE1 TYR B 2 10.242 -18.361 -12.416 1.00 0.00 H new ATOM 0 HE2 TYR B 2 7.401 -21.221 -10.874 1.00 0.00 H new ATOM 0 HH TYR B 2 8.836 -21.681 -12.509 1.00 0.00 H new ATOM 861 N LEU B 3 7.776 -16.396 -5.827 1.00 0.00 N ATOM 862 CA LEU B 3 7.054 -16.121 -4.578 1.00 0.00 C ATOM 863 C LEU B 3 7.653 -14.917 -3.838 1.00 0.00 C ATOM 864 O LEU B 3 6.918 -14.079 -3.312 1.00 0.00 O ATOM 865 CB LEU B 3 7.082 -17.384 -3.698 1.00 0.00 C ATOM 866 CG LEU B 3 6.374 -18.604 -4.325 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.718 -19.881 -3.557 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.851 -18.445 -4.345 1.00 0.00 C ATOM 0 H LEU B 3 8.271 -17.287 -5.807 1.00 0.00 H new ATOM 0 HA LEU B 3 6.021 -15.865 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.119 -17.646 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.613 -17.157 -2.741 1.00 0.00 H new ATOM 0 HG LEU B 3 6.731 -18.672 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.209 -20.729 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.795 -20.045 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.395 -19.780 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.399 -19.329 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.484 -18.329 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.585 -17.564 -4.929 1.00 0.00 H new ATOM 880 N ARG B 4 8.988 -14.797 -3.870 1.00 0.00 N ATOM 881 CA ARG B 4 9.740 -13.622 -3.404 1.00 0.00 C ATOM 882 C ARG B 4 9.319 -12.370 -4.179 1.00 0.00 C ATOM 883 O ARG B 4 9.009 -11.343 -3.579 1.00 0.00 O ATOM 884 CB ARG B 4 11.248 -13.893 -3.580 1.00 0.00 C ATOM 885 CG ARG B 4 12.160 -12.900 -2.838 1.00 0.00 C ATOM 886 CD ARG B 4 12.585 -13.442 -1.467 1.00 0.00 C ATOM 887 NE ARG B 4 13.462 -12.490 -0.759 1.00 0.00 N ATOM 888 CZ ARG B 4 14.315 -12.767 0.215 1.00 0.00 C ATOM 889 NH1 ARG B 4 14.482 -13.977 0.672 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.025 -11.820 0.756 1.00 0.00 N ATOM 0 H ARG B 4 9.592 -15.535 -4.231 1.00 0.00 H new ATOM 0 HA ARG B 4 9.524 -13.445 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.467 -14.902 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.489 -13.865 -4.643 1.00 0.00 H new ATOM 0 HG2 ARG B 4 13.045 -12.698 -3.441 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.638 -11.952 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG B 4 11.700 -13.642 -0.863 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.105 -14.392 -1.595 1.00 0.00 H new ATOM 0 HE ARG B 4 13.405 -11.514 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG B 4 13.946 -14.750 0.278 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.149 -14.151 1.424 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.926 -10.859 0.430 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.681 -12.039 1.506 1.00 0.00 H new ATOM 904 N GLU B 5 9.274 -12.467 -5.508 1.00 0.00 N ATOM 905 CA GLU B 5 8.965 -11.337 -6.401 1.00 0.00 C ATOM 906 C GLU B 5 7.498 -10.885 -6.298 1.00 0.00 C ATOM 907 O GLU B 5 7.211 -9.689 -6.333 1.00 0.00 O ATOM 908 CB GLU B 5 9.345 -11.742 -7.834 1.00 0.00 C ATOM 909 CG GLU B 5 9.159 -10.642 -8.887 1.00 0.00 C ATOM 910 CD GLU B 5 9.980 -9.356 -8.634 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.025 -9.395 -7.937 1.00 0.00 O ATOM 912 OE2 GLU B 5 9.592 -8.288 -9.167 1.00 0.00 O ATOM 0 H GLU B 5 9.452 -13.339 -6.005 1.00 0.00 H new ATOM 0 HA GLU B 5 9.550 -10.469 -6.096 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.388 -12.060 -7.842 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.746 -12.606 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.431 -11.043 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.102 -10.378 -8.934 1.00 0.00 H new ATOM 919 N LEU B 6 6.579 -11.837 -6.113 1.00 0.00 N ATOM 920 CA LEU B 6 5.150 -11.633 -5.866 1.00 0.00 C ATOM 921 C LEU B 6 4.892 -10.749 -4.637 1.00 0.00 C ATOM 922 O LEU B 6 4.245 -9.706 -4.729 1.00 0.00 O ATOM 923 CB LEU B 6 4.502 -13.030 -5.695 1.00 0.00 C ATOM 924 CG LEU B 6 3.544 -13.419 -6.823 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.178 -13.409 -8.213 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.006 -14.835 -6.601 1.00 0.00 C ATOM 0 H LEU B 6 6.827 -12.826 -6.133 1.00 0.00 H new ATOM 0 HA LEU B 6 4.707 -11.104 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.291 -13.779 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.961 -13.054 -4.749 1.00 0.00 H new ATOM 0 HG LEU B 6 2.759 -12.663 -6.792 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.433 -13.696 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.547 -12.408 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.007 -14.116 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.326 -15.097 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.836 -15.541 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.472 -14.877 -5.652 1.00 0.00 H new ATOM 938 N LEU B 7 5.426 -11.163 -3.490 1.00 0.00 N ATOM 939 CA LEU B 7 5.349 -10.485 -2.208 1.00 0.00 C ATOM 940 C LEU B 7 6.028 -9.096 -2.228 1.00 0.00 C ATOM 941 O LEU B 7 5.431 -8.104 -1.800 1.00 0.00 O ATOM 942 CB LEU B 7 5.960 -11.485 -1.209 1.00 0.00 C ATOM 943 CG LEU B 7 6.254 -10.901 0.166 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.014 -10.366 0.883 1.00 0.00 C ATOM 945 CD2 LEU B 7 6.908 -11.955 1.058 1.00 0.00 C ATOM 0 H LEU B 7 5.955 -12.033 -3.433 1.00 0.00 H new ATOM 0 HA LEU B 7 4.327 -10.234 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU B 7 5.278 -12.328 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.886 -11.879 -1.628 1.00 0.00 H new ATOM 0 HG LEU B 7 6.924 -10.059 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.300 -9.966 1.856 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.560 -9.576 0.285 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.296 -11.174 1.020 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.113 -11.525 2.038 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.236 -12.806 1.168 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.842 -12.287 0.604 1.00 0.00 H new ATOM 957 N LYS B 8 7.263 -9.013 -2.738 1.00 0.00 N ATOM 958 CA LYS B 8 8.136 -7.822 -2.742 1.00 0.00 C ATOM 959 C LYS B 8 7.732 -6.781 -3.806 1.00 0.00 C ATOM 960 O LYS B 8 8.454 -6.541 -4.777 1.00 0.00 O ATOM 961 CB LYS B 8 9.574 -8.325 -2.924 1.00 0.00 C ATOM 962 CG LYS B 8 10.675 -7.283 -2.652 1.00 0.00 C ATOM 963 CD LYS B 8 11.965 -7.632 -3.412 1.00 0.00 C ATOM 964 CE LYS B 8 11.807 -7.312 -4.908 1.00 0.00 C ATOM 965 NZ LYS B 8 12.910 -7.877 -5.725 1.00 0.00 N ATOM 0 H LYS B 8 7.708 -9.815 -3.184 1.00 0.00 H new ATOM 0 HA LYS B 8 8.038 -7.284 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.730 -9.176 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.687 -8.691 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.328 -6.295 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.880 -7.236 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.802 -7.069 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.197 -8.689 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS B 8 10.855 -7.708 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.774 -6.231 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.481 -7.103 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 13.510 -8.481 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.512 -8.444 -6.501 1.00 0.00 H new ATOM 979 N GLY B 9 6.554 -6.182 -3.643 1.00 0.00 N ATOM 980 CA GLY B 9 6.007 -5.180 -4.548 1.00 0.00 C ATOM 981 C GLY B 9 4.530 -4.856 -4.358 1.00 0.00 C ATOM 982 O GLY B 9 4.121 -3.703 -4.474 1.00 0.00 O ATOM 0 H GLY B 9 5.939 -6.388 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.580 -4.260 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.157 -5.521 -5.572 1.00 0.00 H new ATOM 986 N GLU B 10 3.730 -5.848 -3.981 1.00 0.00 N ATOM 987 CA GLU B 10 2.316 -5.657 -3.621 1.00 0.00 C ATOM 988 C GLU B 10 2.139 -4.643 -2.466 1.00 0.00 C ATOM 989 O GLU B 10 1.152 -3.910 -2.429 1.00 0.00 O ATOM 990 CB GLU B 10 1.705 -7.030 -3.278 1.00 0.00 C ATOM 991 CG GLU B 10 1.509 -7.984 -4.473 1.00 0.00 C ATOM 992 CD GLU B 10 0.168 -7.769 -5.167 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.150 -6.796 -5.877 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.872 -8.438 -4.993 1.00 0.00 O ATOM 0 H GLU B 10 4.040 -6.817 -3.914 1.00 0.00 H new ATOM 0 HA GLU B 10 1.787 -5.228 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.345 -7.520 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.738 -6.869 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.316 -7.835 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.576 -9.016 -4.127 1.00 0.00 H new ATOM 1001 N LEU B 11 3.132 -4.514 -1.575 1.00 0.00 N ATOM 1002 CA LEU B 11 3.153 -3.628 -0.418 1.00 0.00 C ATOM 1003 C LEU B 11 3.850 -2.283 -0.615 1.00 0.00 C ATOM 1004 O LEU B 11 3.548 -1.331 0.107 1.00 0.00 O ATOM 1005 CB LEU B 11 3.678 -4.486 0.735 1.00 0.00 C ATOM 1006 CG LEU B 11 5.203 -4.639 0.725 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.858 -3.612 1.647 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.602 -6.043 1.166 1.00 0.00 C ATOM 0 H LEU B 11 3.990 -5.061 -1.653 1.00 0.00 H new ATOM 0 HA LEU B 11 2.150 -3.260 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.370 -4.041 1.681 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.219 -5.473 0.683 1.00 0.00 H new ATOM 0 HG LEU B 11 5.548 -4.470 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.940 -3.740 1.624 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.604 -2.607 1.311 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.498 -3.756 2.666 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.688 -6.134 1.153 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.235 -6.225 2.176 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.169 -6.775 0.485 1.00 0.00 H new ATOM 1020 N GLN B 12 4.638 -2.146 -1.679 1.00 0.00 N ATOM 1021 CA GLN B 12 4.870 -0.850 -2.297 1.00 0.00 C ATOM 1022 C GLN B 12 3.532 -0.269 -2.793 1.00 0.00 C ATOM 1023 O GLN B 12 3.304 0.931 -2.665 1.00 0.00 O ATOM 1024 CB GLN B 12 5.920 -0.960 -3.417 1.00 0.00 C ATOM 1025 CG GLN B 12 7.372 -0.943 -2.906 1.00 0.00 C ATOM 1026 CD GLN B 12 7.732 -2.067 -1.930 1.00 0.00 C ATOM 1027 OE1 GLN B 12 7.430 -3.237 -2.127 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.396 -1.757 -0.836 1.00 0.00 N ATOM 0 H GLN B 12 5.126 -2.920 -2.129 1.00 0.00 H new ATOM 0 HA GLN B 12 5.278 -0.159 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN B 12 5.750 -1.882 -3.973 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.780 -0.136 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN B 12 8.043 -0.999 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.558 0.014 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.656 -0.788 -0.655 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.650 -2.486 -0.170 1.00 0.00 H new ATOM 1037 N GLY B 13 2.600 -1.125 -3.238 1.00 0.00 N ATOM 1038 CA GLY B 13 1.232 -0.745 -3.592 1.00 0.00 C ATOM 1039 C GLY B 13 0.448 -0.242 -2.381 1.00 0.00 C ATOM 1040 O GLY B 13 -0.049 0.882 -2.412 1.00 0.00 O ATOM 0 H GLY B 13 2.784 -2.120 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.257 0.032 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.718 -1.602 -4.026 1.00 0.00 H new ATOM 1044 N ILE B 14 0.412 -1.012 -1.283 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.288 -0.622 -0.034 1.00 0.00 C ATOM 1046 C ILE B 14 0.124 0.783 0.421 1.00 0.00 C ATOM 1047 O ILE B 14 -0.728 1.626 0.721 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.035 -1.631 1.114 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.464 -3.069 0.774 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.719 -1.197 2.426 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -1.966 -3.269 0.593 1.00 0.00 C ATOM 0 H ILE B 14 0.865 -1.924 -1.229 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.353 -0.625 -0.265 1.00 0.00 H new ATOM 0 HB ILE B 14 1.047 -1.629 1.250 1.00 0.00 H new ATOM 0 HG12 ILE B 14 0.041 -3.376 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.117 -3.732 1.566 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.515 -1.933 3.203 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.331 -0.226 2.735 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -1.795 -1.124 2.268 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.168 -4.314 0.356 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -2.483 -2.999 1.514 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -2.322 -2.637 -0.221 1.00 0.00 H new ATOM 1063 N LYS B 15 1.437 1.047 0.440 1.00 0.00 N ATOM 1064 CA LYS B 15 1.988 2.303 0.956 1.00 0.00 C ATOM 1065 C LYS B 15 1.720 3.502 0.037 1.00 0.00 C ATOM 1066 O LYS B 15 1.493 4.612 0.517 1.00 0.00 O ATOM 1067 CB LYS B 15 3.484 2.101 1.260 1.00 0.00 C ATOM 1068 CG LYS B 15 4.059 3.236 2.122 1.00 0.00 C ATOM 1069 CD LYS B 15 5.507 2.940 2.536 1.00 0.00 C ATOM 1070 CE LYS B 15 6.046 4.085 3.403 1.00 0.00 C ATOM 1071 NZ LYS B 15 7.451 3.843 3.821 1.00 0.00 N ATOM 0 H LYS B 15 2.144 0.396 0.098 1.00 0.00 H new ATOM 0 HA LYS B 15 1.471 2.557 1.882 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.623 1.150 1.774 1.00 0.00 H new ATOM 0 HB3 LYS B 15 4.039 2.041 0.324 1.00 0.00 H new ATOM 0 HG2 LYS B 15 4.021 4.173 1.566 1.00 0.00 H new ATOM 0 HG3 LYS B 15 3.443 3.368 3.012 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.552 2.002 3.089 1.00 0.00 H new ATOM 0 HD3 LYS B 15 6.130 2.818 1.650 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.988 5.021 2.847 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.418 4.199 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.781 4.638 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.502 2.963 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.054 3.759 2.978 1.00 0.00 H new ATOM 1085 N GLN B 16 1.679 3.273 -1.275 1.00 0.00 N ATOM 1086 CA GLN B 16 1.381 4.277 -2.290 1.00 0.00 C ATOM 1087 C GLN B 16 -0.104 4.622 -2.330 1.00 0.00 C ATOM 1088 O GLN B 16 -0.466 5.798 -2.367 1.00 0.00 O ATOM 1089 CB GLN B 16 1.822 3.734 -3.654 1.00 0.00 C ATOM 1090 CG GLN B 16 3.343 3.750 -3.886 1.00 0.00 C ATOM 1091 CD GLN B 16 3.815 4.898 -4.776 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.345 5.093 -5.888 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.791 5.673 -4.354 1.00 0.00 N ATOM 0 H GLN B 16 1.859 2.351 -1.672 1.00 0.00 H new ATOM 0 HA GLN B 16 1.921 5.191 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.462 2.710 -3.757 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.342 4.321 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.848 3.817 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.643 2.804 -4.338 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.196 5.526 -3.429 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.143 6.421 -4.951 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.972 3.614 -2.264 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.414 3.802 -2.288 1.00 0.00 C ATOM 1104 C TYR B 17 -2.923 4.643 -1.116 1.00 0.00 C ATOM 1105 O TYR B 17 -3.847 5.441 -1.303 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.126 2.448 -2.298 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.164 1.740 -3.645 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.644 2.411 -4.789 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.741 0.400 -3.758 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.676 1.758 -6.035 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.750 -0.247 -5.010 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.223 0.430 -6.151 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.296 -0.209 -7.348 1.00 0.00 O ATOM 0 H TYR B 17 -0.688 2.637 -2.192 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.642 4.349 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.636 1.794 -1.577 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.150 2.593 -1.954 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.989 3.431 -4.708 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.408 -0.134 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.049 2.277 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.394 -1.263 -5.095 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.134 -1.167 -7.218 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.311 4.522 0.074 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.718 5.348 1.216 1.00 0.00 C ATOM 1125 C ARG B 18 -2.373 6.839 1.045 1.00 0.00 C ATOM 1126 O ARG B 18 -3.085 7.691 1.571 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.175 4.768 2.525 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.149 3.745 3.141 1.00 0.00 C ATOM 1129 CD ARG B 18 -2.744 3.304 4.556 1.00 0.00 C ATOM 1130 NE ARG B 18 -2.920 4.386 5.550 1.00 0.00 N ATOM 1131 CZ ARG B 18 -2.822 4.279 6.865 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.527 3.153 7.453 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -3.024 5.316 7.628 1.00 0.00 N ATOM 0 H ARG B 18 -1.548 3.873 0.266 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.807 5.314 1.260 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.213 4.289 2.340 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.998 5.576 3.235 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.149 4.178 3.174 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.203 2.869 2.495 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.341 2.441 4.851 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.702 2.984 4.551 1.00 0.00 H new ATOM 0 HE ARG B 18 -3.140 5.312 5.183 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.363 2.315 6.896 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.461 3.111 8.470 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -3.259 6.217 7.212 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -2.947 5.226 8.641 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.334 7.162 0.269 1.00 0.00 N ATOM 1148 CA GLU B 19 -0.990 8.538 -0.141 1.00 0.00 C ATOM 1149 C GLU B 19 -1.822 9.036 -1.343 1.00 0.00 C ATOM 1150 O GLU B 19 -2.093 10.229 -1.465 1.00 0.00 O ATOM 1151 CB GLU B 19 0.509 8.586 -0.499 1.00 0.00 C ATOM 1152 CG GLU B 19 1.336 9.489 0.426 1.00 0.00 C ATOM 1153 CD GLU B 19 1.463 8.923 1.856 1.00 0.00 C ATOM 1154 OE1 GLU B 19 0.594 9.221 2.711 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.454 8.209 2.144 1.00 0.00 O ATOM 0 H GLU B 19 -0.691 6.463 -0.103 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.219 9.198 0.696 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.915 7.575 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.617 8.936 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU B 19 2.332 9.621 0.002 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.875 10.476 0.470 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.229 8.135 -2.240 1.00 0.00 N ATOM 1163 CA ALA B 20 -2.920 8.447 -3.489 1.00 0.00 C ATOM 1164 C ALA B 20 -4.334 9.008 -3.283 1.00 0.00 C ATOM 1165 O ALA B 20 -4.680 9.995 -3.934 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.948 7.186 -4.362 1.00 0.00 C ATOM 0 H ALA B 20 -2.080 7.134 -2.110 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.366 9.243 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.461 7.403 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.927 6.867 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.475 6.391 -3.835 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.121 8.454 -2.345 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.464 8.961 -2.005 1.00 0.00 C ATOM 1174 C LEU B 21 -6.435 10.432 -1.584 1.00 0.00 C ATOM 1175 O LEU B 21 -7.413 11.140 -1.799 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.150 8.054 -0.963 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.567 8.482 -0.517 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.432 7.256 -0.213 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.545 9.327 0.762 1.00 0.00 C ATOM 0 H LEU B 21 -4.844 7.639 -1.798 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.072 8.924 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.209 7.045 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.513 8.003 -0.080 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.973 9.066 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.425 7.580 0.099 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.516 6.639 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -8.972 6.675 0.586 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.564 9.602 1.034 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.097 8.751 1.571 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -7.958 10.230 0.592 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.317 10.927 -1.051 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.201 12.351 -0.708 1.00 0.00 C ATOM 1193 C GLU B 22 -5.210 13.303 -1.916 1.00 0.00 C ATOM 1194 O GLU B 22 -5.586 14.468 -1.771 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.961 12.595 0.158 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.311 12.833 1.639 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.996 14.190 1.879 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -6.207 14.326 1.589 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -4.333 15.125 2.382 1.00 0.00 O ATOM 0 H GLU B 22 -4.485 10.372 -0.848 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.103 12.589 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.293 11.737 0.080 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.418 13.458 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.966 12.034 1.986 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -3.400 12.780 2.236 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.862 12.815 -3.109 1.00 0.00 N ATOM 1207 CA TYR B 23 -4.989 13.538 -4.377 1.00 0.00 C ATOM 1208 C TYR B 23 -6.192 13.077 -5.224 1.00 0.00 C ATOM 1209 O TYR B 23 -6.834 13.914 -5.863 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.674 13.397 -5.156 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.571 14.303 -4.633 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -1.838 13.952 -3.481 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.311 15.525 -5.284 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -0.856 14.826 -2.975 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.324 16.399 -4.787 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.597 16.053 -3.626 1.00 0.00 C ATOM 1217 OH TYR B 23 0.351 16.897 -3.131 1.00 0.00 O ATOM 0 H TYR B 23 -4.473 11.879 -3.223 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.182 14.586 -4.150 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.339 12.361 -5.107 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -3.855 13.624 -6.207 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.030 13.012 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.871 15.793 -6.168 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.300 14.558 -2.088 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -1.123 17.332 -5.293 1.00 0.00 H new ATOM 0 HH TYR B 23 0.405 17.696 -3.696 1.00 0.00 H new ATOM 1227 N THR B 24 -6.542 11.783 -5.226 1.00 0.00 N ATOM 1228 CA THR B 24 -7.638 11.235 -6.057 1.00 0.00 C ATOM 1229 C THR B 24 -9.020 11.309 -5.401 1.00 0.00 C ATOM 1230 O THR B 24 -10.023 11.330 -6.115 1.00 0.00 O ATOM 1231 CB THR B 24 -7.376 9.774 -6.448 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.235 8.990 -5.292 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.108 9.604 -7.284 1.00 0.00 C ATOM 0 H THR B 24 -6.076 11.080 -4.652 1.00 0.00 H new ATOM 0 HA THR B 24 -7.648 11.875 -6.939 1.00 0.00 H new ATOM 0 HB THR B 24 -8.230 9.457 -7.046 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.360 9.161 -4.886 1.00 0.00 H new ATOM 0 HG21 THR B 24 -5.974 8.551 -7.531 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.197 10.184 -8.203 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.247 9.956 -6.715 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.094 11.366 -4.064 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.306 11.434 -3.225 1.00 0.00 C ATOM 1243 C HIS B 25 -11.525 10.616 -3.731 1.00 0.00 C ATOM 1244 O HIS B 25 -12.645 11.126 -3.801 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.600 12.901 -2.833 1.00 0.00 C ATOM 1246 CG HIS B 25 -9.926 13.283 -1.531 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.395 12.980 -0.260 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.715 13.900 -1.385 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.476 13.395 0.636 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.447 13.959 -0.025 1.00 0.00 N ATOM 0 H HIS B 25 -8.247 11.366 -3.495 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.085 10.894 -2.304 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.258 13.565 -3.627 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -11.677 13.043 -2.740 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.085 14.272 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.553 13.292 1.708 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.612 14.361 0.402 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.320 9.341 -4.097 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.348 8.462 -4.693 1.00 0.00 C ATOM 1261 C ASN B 26 -12.630 7.180 -3.871 1.00 0.00 C ATOM 1262 O ASN B 26 -11.720 6.651 -3.227 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.931 8.135 -6.144 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.692 8.990 -7.148 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.695 8.577 -7.710 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.278 10.210 -7.388 1.00 0.00 N ATOM 0 H ASN B 26 -10.417 8.879 -3.986 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.296 9.000 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.860 8.300 -6.262 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.116 7.080 -6.348 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.792 10.804 -8.038 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.442 10.565 -6.924 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.862 6.621 -3.940 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.253 5.400 -3.219 1.00 0.00 C ATOM 1275 C PRO B 27 -13.630 4.121 -3.805 1.00 0.00 C ATOM 1276 O PRO B 27 -13.682 3.059 -3.188 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.783 5.348 -3.318 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.067 6.023 -4.658 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.000 7.115 -4.713 1.00 0.00 C ATOM 0 HA PRO B 27 -13.894 5.439 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.154 4.323 -3.296 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.259 5.876 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.977 5.325 -5.491 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.074 6.438 -4.698 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.709 7.322 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.378 8.048 -4.295 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.032 4.203 -4.994 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.420 3.062 -5.699 1.00 0.00 C ATOM 1289 C VAL B 28 -11.211 2.493 -4.978 1.00 0.00 C ATOM 1290 O VAL B 28 -10.973 1.290 -5.012 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.080 3.469 -7.141 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -10.753 4.223 -7.311 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -12.119 2.244 -8.045 1.00 0.00 C ATOM 0 H VAL B 28 -12.955 5.080 -5.510 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.152 2.255 -5.717 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.847 4.187 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.604 4.465 -8.363 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.780 5.143 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -9.931 3.597 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -11.877 2.538 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -11.391 1.511 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.116 1.805 -8.020 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.463 3.334 -4.269 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.337 2.889 -3.460 1.00 0.00 C ATOM 1305 C LEU B 29 -9.796 2.021 -2.280 1.00 0.00 C ATOM 1306 O LEU B 29 -9.127 1.039 -1.968 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.509 4.100 -3.026 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.822 4.797 -4.219 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.577 6.058 -4.647 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.381 5.184 -3.894 1.00 0.00 C ATOM 0 H LEU B 29 -10.622 4.341 -4.240 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.694 2.246 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.154 4.814 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.752 3.782 -2.309 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.828 4.074 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.063 6.521 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.592 5.792 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.614 6.760 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.931 5.672 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.371 5.868 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.811 4.289 -3.646 1.00 0.00 H new ATOM 1322 N ALA B 30 -11.002 2.259 -1.749 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.699 1.358 -0.816 1.00 0.00 C ATOM 1324 C ALA B 30 -12.179 0.029 -1.468 1.00 0.00 C ATOM 1325 O ALA B 30 -12.987 -0.701 -0.894 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.836 2.134 -0.133 1.00 0.00 C ATOM 0 H ALA B 30 -11.535 3.103 -1.960 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.985 1.031 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.360 1.476 0.561 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.421 2.981 0.413 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.534 2.495 -0.888 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.657 -0.296 -2.660 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.775 -1.561 -3.386 1.00 0.00 C ATOM 1334 C LYS B 31 -10.399 -2.029 -3.873 1.00 0.00 C ATOM 1335 O LYS B 31 -9.994 -3.140 -3.554 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.780 -1.384 -4.547 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.735 -2.568 -4.756 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.658 -2.800 -3.544 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.008 -3.415 -3.938 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.924 -2.408 -4.542 1.00 0.00 N ATOM 0 H LYS B 31 -11.096 0.378 -3.181 1.00 0.00 H new ATOM 0 HA LYS B 31 -12.154 -2.340 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -13.371 -0.486 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.223 -1.217 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.343 -2.389 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.154 -3.471 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.158 -3.457 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.830 -1.851 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.844 -4.227 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.479 -3.851 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.824 -2.864 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.102 -1.646 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.487 -2.010 -5.397 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.629 -1.156 -4.530 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.274 -1.459 -5.041 1.00 0.00 C ATOM 1356 C ILE B 32 -7.319 -1.786 -3.889 1.00 0.00 C ATOM 1357 O ILE B 32 -6.871 -2.926 -3.774 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.716 -0.309 -5.909 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.618 0.053 -7.111 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.332 -0.704 -6.452 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.276 1.445 -7.655 1.00 0.00 C ATOM 0 H ILE B 32 -9.928 -0.201 -4.729 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.356 -2.338 -5.681 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.665 0.566 -5.260 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.495 -0.690 -7.899 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.664 0.025 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.937 0.106 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.655 -0.893 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.423 -1.606 -7.058 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.925 1.675 -8.500 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.423 2.188 -6.871 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.236 1.463 -7.981 1.00 0.00 H new ATOM 1373 N LEU B 33 -7.028 -0.812 -3.015 1.00 0.00 N ATOM 1374 CA LEU B 33 -6.134 -1.031 -1.872 1.00 0.00 C ATOM 1375 C LEU B 33 -6.764 -1.979 -0.851 1.00 0.00 C ATOM 1376 O LEU B 33 -6.049 -2.746 -0.207 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.588 0.299 -1.308 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.308 0.958 -0.115 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.967 0.339 1.247 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.947 2.441 0.010 1.00 0.00 C ATOM 0 H LEU B 33 -7.400 0.136 -3.079 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.240 -1.554 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.552 0.131 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.575 1.021 -2.124 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.363 0.801 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.515 0.861 2.031 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.247 -0.715 1.248 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.896 0.430 1.430 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.473 2.873 0.862 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.872 2.543 0.158 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.239 2.965 -0.900 1.00 0.00 H new ATOM 1392 N GLU B 34 -8.099 -1.988 -0.762 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.817 -2.975 0.048 1.00 0.00 C ATOM 1394 C GLU B 34 -8.513 -4.420 -0.398 1.00 0.00 C ATOM 1395 O GLU B 34 -8.364 -5.301 0.451 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.327 -2.686 0.076 1.00 0.00 C ATOM 1397 CG GLU B 34 -11.043 -3.573 1.108 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.534 -3.218 1.267 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.866 -2.354 2.115 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.385 -3.853 0.596 1.00 0.00 O ATOM 0 H GLU B 34 -8.703 -1.321 -1.242 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.451 -2.882 1.071 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.495 -1.636 0.316 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.752 -2.859 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.953 -4.617 0.808 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.546 -3.474 2.073 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.358 -4.681 -1.703 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.953 -5.992 -2.192 1.00 0.00 C ATOM 1409 C ASP B 35 -6.456 -6.274 -2.057 1.00 0.00 C ATOM 1410 O ASP B 35 -6.090 -7.373 -1.650 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.348 -6.199 -3.654 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.829 -6.059 -4.035 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.721 -6.364 -3.205 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.078 -5.711 -5.214 1.00 0.00 O ATOM 0 H ASP B 35 -8.510 -3.991 -2.439 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.487 -6.692 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.781 -5.488 -4.255 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -8.022 -7.197 -3.948 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.558 -5.322 -2.327 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.131 -5.572 -2.112 1.00 0.00 C ATOM 1421 C GLU B 36 -3.803 -5.971 -0.666 1.00 0.00 C ATOM 1422 O GLU B 36 -2.853 -6.718 -0.428 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.318 -4.336 -2.490 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.501 -3.880 -3.934 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.194 -4.931 -4.994 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.509 -5.959 -4.781 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.617 -4.757 -6.158 1.00 0.00 O ATOM 0 H GLU B 36 -5.785 -4.395 -2.686 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.864 -6.413 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.594 -3.517 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.262 -4.544 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.531 -3.547 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.861 -3.015 -4.108 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.613 -5.517 0.298 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.419 -5.798 1.727 1.00 0.00 C ATOM 1436 C GLU B 37 -4.576 -7.296 2.034 1.00 0.00 C ATOM 1437 O GLU B 37 -3.945 -7.816 2.958 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.403 -4.940 2.542 1.00 0.00 C ATOM 1439 CG GLU B 37 -5.017 -4.731 4.017 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.339 -5.916 4.955 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.445 -6.502 4.860 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.513 -6.216 5.853 1.00 0.00 O ATOM 0 H GLU B 37 -5.431 -4.938 0.106 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.400 -5.535 2.011 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.493 -3.965 2.064 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.387 -5.406 2.502 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.948 -4.526 4.071 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -5.531 -3.844 4.388 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.356 -7.998 1.202 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.636 -9.434 1.313 1.00 0.00 C ATOM 1451 C LYS B 38 -4.886 -10.272 0.277 1.00 0.00 C ATOM 1452 O LYS B 38 -4.503 -11.389 0.606 1.00 0.00 O ATOM 1453 CB LYS B 38 -7.163 -9.635 1.384 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.954 -9.603 0.071 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.326 -8.957 0.299 1.00 0.00 C ATOM 1456 CE LYS B 38 -10.085 -8.803 -1.019 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.145 -7.771 -0.908 1.00 0.00 N ATOM 0 H LYS B 38 -5.825 -7.566 0.406 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.229 -9.829 2.244 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.352 -10.595 1.864 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.571 -8.865 2.039 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.400 -9.043 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -8.079 -10.616 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.909 -9.567 0.989 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.199 -7.980 0.766 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.390 -8.530 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -10.530 -9.758 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -12.057 -8.230 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.912 -7.116 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.210 -7.242 -1.801 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.530 -9.721 -0.891 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.692 -10.339 -1.921 1.00 0.00 C ATOM 1473 C HIS B 39 -2.336 -10.847 -1.411 1.00 0.00 C ATOM 1474 O HIS B 39 -1.917 -11.949 -1.769 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.452 -9.283 -3.000 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.576 -9.010 -3.955 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.446 -8.224 -5.103 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.855 -9.468 -3.861 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.666 -8.215 -5.665 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.523 -8.970 -4.952 1.00 0.00 N ATOM 0 H HIS B 39 -4.836 -8.784 -1.154 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.219 -11.218 -2.292 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -3.195 -8.347 -2.505 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.581 -9.586 -3.581 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.605 -7.757 -5.442 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.262 -10.097 -3.084 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.924 -7.676 -6.565 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.501 -9.142 -5.183 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.651 -10.059 -0.573 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.320 -10.402 -0.052 1.00 0.00 C ATOM 1490 C ILE B 40 -0.361 -11.674 0.797 1.00 0.00 C ATOM 1491 O ILE B 40 0.463 -12.567 0.609 1.00 0.00 O ATOM 1492 CB ILE B 40 0.251 -9.220 0.769 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.431 -7.960 -0.103 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.615 -9.593 1.377 1.00 0.00 C ATOM 1495 CD1 ILE B 40 0.490 -6.657 0.703 1.00 0.00 C ATOM 0 H ILE B 40 -2.004 -9.163 -0.236 1.00 0.00 H new ATOM 0 HA ILE B 40 0.335 -10.594 -0.902 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.466 -9.006 1.561 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.348 -8.059 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.393 -7.900 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.001 -8.750 1.950 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.497 -10.455 2.034 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.315 -9.839 0.578 1.00 0.00 H new ATOM 0 HD11 ILE B 40 0.618 -5.814 0.024 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -0.436 -6.534 1.264 1.00 0.00 H new ATOM 0 HD13 ILE B 40 1.331 -6.695 1.395 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.329 -11.788 1.706 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.491 -13.010 2.498 1.00 0.00 C ATOM 1509 C GLU B 41 -2.154 -14.132 1.690 1.00 0.00 C ATOM 1510 O GLU B 41 -1.777 -15.290 1.851 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.211 -12.716 3.822 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.318 -11.851 4.731 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.866 -11.672 6.164 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -3.088 -11.835 6.405 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -1.063 -11.350 7.075 1.00 0.00 O ATOM 0 H GLU B 41 -2.009 -11.056 1.912 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.498 -13.379 2.756 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.151 -12.201 3.627 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.458 -13.651 4.325 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.327 -12.303 4.786 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -1.196 -10.869 4.274 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.041 -13.809 0.744 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.613 -14.763 -0.213 1.00 0.00 C ATOM 1524 C TRP B 42 -2.556 -15.559 -1.001 1.00 0.00 C ATOM 1525 O TRP B 42 -2.733 -16.770 -1.146 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.603 -14.022 -1.132 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.003 -13.845 -0.625 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.477 -14.224 0.584 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.135 -13.241 -1.323 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.825 -13.939 0.664 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.291 -13.348 -0.491 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.300 -12.602 -2.572 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.552 -12.883 -0.898 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.550 -12.095 -2.974 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.679 -12.253 -2.149 1.00 0.00 C ATOM 0 H TRP B 42 -3.389 -12.858 0.619 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.150 -15.524 0.352 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.193 -13.035 -1.345 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.652 -14.558 -2.080 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.890 -14.680 1.367 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.405 -14.141 1.478 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.451 -12.501 -3.231 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.413 -13.008 -0.258 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.643 -11.582 -3.920 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.642 -11.891 -2.476 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.443 -14.957 -1.456 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.369 -15.743 -2.096 1.00 0.00 C ATOM 1548 C LEU B 43 0.499 -16.533 -1.087 1.00 0.00 C ATOM 1549 O LEU B 43 0.957 -17.637 -1.385 1.00 0.00 O ATOM 1550 CB LEU B 43 0.427 -14.889 -3.092 1.00 0.00 C ATOM 1551 CG LEU B 43 1.468 -13.968 -2.450 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.870 -14.589 -2.423 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.517 -12.649 -3.211 1.00 0.00 C ATOM 0 H LEU B 43 -1.264 -13.955 -1.396 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.846 -16.526 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.931 -15.551 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.270 -14.281 -3.669 1.00 0.00 H new ATOM 0 HG LEU B 43 1.162 -13.807 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.567 -13.893 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.846 -15.516 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU B 43 3.194 -14.800 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.258 -11.993 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.790 -12.838 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.538 -12.171 -3.175 1.00 0.00 H new ATOM 1565 N GLU B 44 0.702 -15.998 0.121 1.00 0.00 N ATOM 1566 CA GLU B 44 1.513 -16.606 1.191 1.00 0.00 C ATOM 1567 C GLU B 44 0.850 -17.847 1.822 1.00 0.00 C ATOM 1568 O GLU B 44 1.527 -18.843 2.083 1.00 0.00 O ATOM 1569 CB GLU B 44 1.810 -15.543 2.270 1.00 0.00 C ATOM 1570 CG GLU B 44 3.304 -15.217 2.427 1.00 0.00 C ATOM 1571 CD GLU B 44 4.116 -16.279 3.201 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.582 -16.920 4.137 1.00 0.00 O ATOM 1573 OE2 GLU B 44 5.327 -16.431 2.914 1.00 0.00 O ATOM 0 H GLU B 44 0.296 -15.103 0.394 1.00 0.00 H new ATOM 0 HA GLU B 44 2.442 -16.956 0.740 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.272 -14.628 2.022 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.422 -15.892 3.227 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.742 -15.095 1.436 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.402 -14.260 2.939 1.00 0.00 H new ATOM 1580 N THR B 45 -0.476 -17.832 2.013 1.00 0.00 N ATOM 1581 CA THR B 45 -1.251 -18.959 2.567 1.00 0.00 C ATOM 1582 C THR B 45 -1.062 -20.256 1.771 1.00 0.00 C ATOM 1583 O THR B 45 -1.097 -21.343 2.351 1.00 0.00 O ATOM 1584 CB THR B 45 -2.746 -18.589 2.654 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.930 -17.528 3.572 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.663 -19.717 3.135 1.00 0.00 C ATOM 0 H THR B 45 -1.054 -17.023 1.784 1.00 0.00 H new ATOM 0 HA THR B 45 -0.867 -19.148 3.570 1.00 0.00 H new ATOM 0 HB THR B 45 -3.017 -18.333 1.630 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.588 -16.696 3.183 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.693 -19.362 3.163 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.589 -20.562 2.451 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.360 -20.031 4.134 1.00 0.00 H new ATOM 1594 N ILE B 46 -0.815 -20.164 0.457 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.560 -21.337 -0.390 1.00 0.00 C ATOM 1596 C ILE B 46 0.802 -21.978 -0.069 1.00 0.00 C ATOM 1597 O ILE B 46 0.878 -23.185 0.175 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.616 -20.992 -1.896 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.728 -19.984 -2.273 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.777 -22.315 -2.660 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.839 -19.683 -3.773 1.00 0.00 C ATOM 0 H ILE B 46 -0.786 -19.278 -0.047 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.355 -22.049 -0.168 1.00 0.00 H new ATOM 0 HB ILE B 46 0.308 -20.484 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.685 -20.371 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.548 -19.050 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.821 -22.114 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.073 -22.964 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.697 -22.807 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.644 -18.968 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.899 -19.263 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -2.053 -20.605 -4.314 1.00 0.00 H new