USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 LYS NZ :NH3+ 167:sc= 1.31 (180deg=0) USER MOD Set 1.2: A 85 TYR OH : rot 58:sc= 1.05 USER MOD Single : A 2 THR OG1 : rot 22:sc= 0.113 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0.881 (180deg=0.856) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00238 USER MOD Single : A 17 LYS NZ :NH3+ 143:sc= 1.08 (180deg=0.32) USER MOD Single : A 19 GLN : amide:sc= -0.391 K(o=-0.39,f=-4.7!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 35 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-7.5!) USER MOD Single : A 37 SER OG : rot -36:sc= 0.727 USER MOD Single : A 41 GLN : amide:sc= 0.285 K(o=0.29,f=-3.1!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 80:sc= 0.961 USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0333) USER MOD Single : A 53 GLN : amide:sc= -0.714 K(o=-0.71,f=-0.073) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -2! K(o=-2!,f=-0.36) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -120:sc= 0.426 USER MOD Single : A 108 GLN : amide:sc= -0.928 X(o=-0.93,f=-0.65) USER MOD Single : A 112 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 8.855 -3.547 12.166 1.00 0.00 N ATOM 21 CA THR A 2 9.059 -3.433 10.710 1.00 0.00 C ATOM 22 C THR A 2 7.839 -2.815 10.009 1.00 0.00 C ATOM 23 O THR A 2 6.715 -3.291 10.165 1.00 0.00 O ATOM 24 CB THR A 2 9.345 -4.815 10.072 1.00 0.00 C ATOM 25 OG1 THR A 2 10.433 -5.454 10.754 1.00 0.00 O ATOM 26 CG2 THR A 2 9.688 -4.684 8.588 1.00 0.00 C ATOM 0 HA THR A 2 9.920 -2.779 10.573 1.00 0.00 H new ATOM 0 HB THR A 2 8.442 -5.418 10.166 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.524 -5.074 11.653 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.883 -5.672 8.171 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.851 -4.226 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.574 -4.060 8.473 1.00 0.00 H new ATOM 34 N LEU A 3 8.067 -1.761 9.228 1.00 0.00 N ATOM 35 CA LEU A 3 6.984 -1.084 8.501 1.00 0.00 C ATOM 36 C LEU A 3 7.104 -1.293 6.981 1.00 0.00 C ATOM 37 O LEU A 3 8.166 -1.082 6.396 1.00 0.00 O ATOM 38 CB LEU A 3 6.994 0.422 8.814 1.00 0.00 C ATOM 39 CG LEU A 3 6.789 0.798 10.293 1.00 0.00 C ATOM 40 CD1 LEU A 3 6.848 2.314 10.480 1.00 0.00 C ATOM 41 CD2 LEU A 3 5.466 0.238 10.817 1.00 0.00 C ATOM 0 H LEU A 3 8.990 -1.354 9.079 1.00 0.00 H new ATOM 0 HA LEU A 3 6.043 -1.522 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.945 0.837 8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.213 0.902 8.225 1.00 0.00 H new ATOM 0 HG LEU A 3 7.598 0.353 10.871 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.701 2.557 11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.821 2.683 10.155 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.065 2.785 9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.342 0.516 11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.641 0.647 10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.470 -0.848 10.728 1.00 0.00 H new ATOM 53 N ILE A 4 6.008 -1.705 6.350 1.00 0.00 N ATOM 54 CA ILE A 4 5.959 -1.859 4.892 1.00 0.00 C ATOM 55 C ILE A 4 4.976 -0.850 4.264 1.00 0.00 C ATOM 56 O ILE A 4 3.846 -0.685 4.725 1.00 0.00 O ATOM 57 CB ILE A 4 5.583 -3.309 4.479 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.316 -3.779 5.217 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.753 -4.260 4.748 1.00 0.00 C ATOM 60 CD1 ILE A 4 3.873 -5.182 4.850 1.00 0.00 C ATOM 0 H ILE A 4 5.136 -1.940 6.825 1.00 0.00 H new ATOM 0 HA ILE A 4 6.960 -1.653 4.512 1.00 0.00 H new ATOM 0 HB ILE A 4 5.370 -3.317 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.496 -3.735 6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.504 -3.085 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.474 -5.272 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.621 -3.941 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.997 -4.245 5.810 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.975 -5.439 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.659 -5.228 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.667 -5.889 5.092 1.00 0.00 H new ATOM 72 N TYR A 5 5.427 -0.171 3.212 1.00 0.00 N ATOM 73 CA TYR A 5 4.671 0.927 2.595 1.00 0.00 C ATOM 74 C TYR A 5 4.081 0.526 1.229 1.00 0.00 C ATOM 75 O TYR A 5 4.761 -0.088 0.405 1.00 0.00 O ATOM 76 CB TYR A 5 5.596 2.145 2.423 1.00 0.00 C ATOM 77 CG TYR A 5 6.081 2.756 3.732 1.00 0.00 C ATOM 78 CD1 TYR A 5 7.031 2.112 4.523 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.590 3.982 4.172 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.469 2.672 5.709 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.025 4.545 5.356 1.00 0.00 C ATOM 82 CZ TYR A 5 6.963 3.887 6.120 1.00 0.00 C ATOM 83 OH TYR A 5 7.401 4.449 7.299 1.00 0.00 O ATOM 0 H TYR A 5 6.322 -0.362 2.762 1.00 0.00 H new ATOM 0 HA TYR A 5 3.837 1.173 3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.462 1.848 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.068 2.909 1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.431 1.161 4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.855 4.503 3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.205 2.160 6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.631 5.497 5.681 1.00 0.00 H new ATOM 0 HH TYR A 5 6.946 5.305 7.442 1.00 0.00 H new ATOM 93 N LYS A 6 2.815 0.871 0.994 1.00 0.00 N ATOM 94 CA LYS A 6 2.170 0.633 -0.308 1.00 0.00 C ATOM 95 C LYS A 6 1.680 1.946 -0.933 1.00 0.00 C ATOM 96 O LYS A 6 0.904 2.678 -0.321 1.00 0.00 O ATOM 97 CB LYS A 6 0.977 -0.321 -0.158 1.00 0.00 C ATOM 98 CG LYS A 6 0.401 -0.794 -1.495 1.00 0.00 C ATOM 99 CD LYS A 6 -0.928 -1.528 -1.325 1.00 0.00 C ATOM 100 CE LYS A 6 -1.355 -2.252 -2.602 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.481 -1.343 -3.779 1.00 0.00 N ATOM 0 H LYS A 6 2.211 1.317 1.685 1.00 0.00 H new ATOM 0 HA LYS A 6 2.918 0.183 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.288 -1.190 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.192 0.178 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.258 0.065 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.118 -1.453 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.842 -2.249 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.701 -0.815 -1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.629 -3.032 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.311 -2.747 -2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.690 -1.904 -4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.252 -0.665 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.589 -0.826 -3.915 1.00 0.00 H new ATOM 115 N ILE A 7 2.121 2.235 -2.154 1.00 0.00 N ATOM 116 CA ILE A 7 1.659 3.428 -2.873 1.00 0.00 C ATOM 117 C ILE A 7 0.458 3.072 -3.766 1.00 0.00 C ATOM 118 O ILE A 7 0.449 2.028 -4.420 1.00 0.00 O ATOM 119 CB ILE A 7 2.782 4.068 -3.745 1.00 0.00 C ATOM 120 CG1 ILE A 7 4.021 4.429 -2.893 1.00 0.00 C ATOM 121 CG2 ILE A 7 2.251 5.313 -4.460 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.854 3.239 -2.447 1.00 0.00 C ATOM 0 H ILE A 7 2.794 1.666 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 7 1.365 4.161 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 7 3.089 3.332 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.655 5.104 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.691 4.975 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.044 5.751 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.415 5.035 -5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.914 6.041 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.700 3.588 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.240 2.571 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.220 2.702 -3.322 1.00 0.00 H new ATOM 134 N LEU A 8 -0.564 3.930 -3.774 1.00 0.00 N ATOM 135 CA LEU A 8 -1.784 3.675 -4.552 1.00 0.00 C ATOM 136 C LEU A 8 -2.496 4.982 -4.933 1.00 0.00 C ATOM 137 O LEU A 8 -2.103 6.067 -4.504 1.00 0.00 O ATOM 138 CB LEU A 8 -2.752 2.777 -3.758 1.00 0.00 C ATOM 139 CG LEU A 8 -3.315 3.378 -2.452 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.519 2.577 -1.964 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.245 3.428 -1.364 1.00 0.00 C ATOM 0 H LEU A 8 -0.574 4.807 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.483 3.167 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.589 2.517 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.237 1.848 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.635 4.397 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.900 3.018 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.300 2.594 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.218 1.546 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.669 3.856 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.888 2.419 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.412 4.045 -1.701 1.00 0.00 H new ATOM 153 N SER A 9 -3.545 4.873 -5.743 1.00 0.00 N ATOM 154 CA SER A 9 -4.369 6.035 -6.103 1.00 0.00 C ATOM 155 C SER A 9 -5.466 6.290 -5.058 1.00 0.00 C ATOM 156 O SER A 9 -5.955 5.358 -4.408 1.00 0.00 O ATOM 157 CB SER A 9 -5.020 5.829 -7.477 1.00 0.00 C ATOM 158 OG SER A 9 -5.925 6.884 -7.781 1.00 0.00 O ATOM 0 H SER A 9 -3.849 3.995 -6.165 1.00 0.00 H new ATOM 0 HA SER A 9 -3.709 6.902 -6.137 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.247 5.777 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.549 4.876 -7.492 1.00 0.00 H new ATOM 0 HG SER A 9 -6.324 6.729 -8.662 1.00 0.00 H new ATOM 164 N ARG A 10 -5.865 7.555 -4.906 1.00 0.00 N ATOM 165 CA ARG A 10 -6.947 7.921 -3.980 1.00 0.00 C ATOM 166 C ARG A 10 -8.242 7.182 -4.356 1.00 0.00 C ATOM 167 O ARG A 10 -9.028 6.796 -3.488 1.00 0.00 O ATOM 168 CB ARG A 10 -7.166 9.448 -3.995 1.00 0.00 C ATOM 169 CG ARG A 10 -7.536 10.059 -2.637 1.00 0.00 C ATOM 170 CD ARG A 10 -8.878 9.562 -2.109 1.00 0.00 C ATOM 171 NE ARG A 10 -9.200 10.135 -0.802 1.00 0.00 N ATOM 172 CZ ARG A 10 -9.925 11.206 -0.619 1.00 0.00 C ATOM 173 NH1 ARG A 10 -10.438 11.844 -1.622 1.00 0.00 N ATOM 174 NH2 ARG A 10 -10.152 11.635 0.578 1.00 0.00 N ATOM 0 H ARG A 10 -5.458 8.343 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.663 7.624 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.257 9.928 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.956 9.681 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.756 9.822 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.567 11.145 -2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.664 9.817 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.857 8.475 -2.033 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.832 9.665 0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.278 11.512 -2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.002 12.679 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.765 11.137 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.718 12.471 0.721 1.00 0.00 H new ATOM 188 N ALA A 11 -8.440 6.970 -5.659 1.00 0.00 N ATOM 189 CA ALA A 11 -9.610 6.243 -6.163 1.00 0.00 C ATOM 190 C ALA A 11 -9.665 4.812 -5.606 1.00 0.00 C ATOM 191 O ALA A 11 -10.736 4.303 -5.272 1.00 0.00 O ATOM 192 CB ALA A 11 -9.594 6.218 -7.686 1.00 0.00 C ATOM 0 H ALA A 11 -7.803 7.292 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.504 6.766 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.467 5.676 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.616 7.239 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.688 5.721 -8.032 1.00 0.00 H new ATOM 198 N GLU A 12 -8.503 4.169 -5.513 1.00 0.00 N ATOM 199 CA GLU A 12 -8.399 2.826 -4.931 1.00 0.00 C ATOM 200 C GLU A 12 -8.822 2.834 -3.458 1.00 0.00 C ATOM 201 O GLU A 12 -9.691 2.065 -3.035 1.00 0.00 O ATOM 202 CB GLU A 12 -6.955 2.317 -5.022 1.00 0.00 C ATOM 203 CG GLU A 12 -6.420 2.156 -6.439 1.00 0.00 C ATOM 204 CD GLU A 12 -4.951 1.759 -6.452 1.00 0.00 C ATOM 205 OE1 GLU A 12 -4.562 0.876 -5.657 1.00 0.00 O ATOM 206 OE2 GLU A 12 -4.181 2.329 -7.253 1.00 0.00 O ATOM 0 H GLU A 12 -7.615 4.555 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.062 2.170 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.307 3.007 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.892 1.355 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.004 1.400 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.547 3.092 -6.983 1.00 0.00 H new ATOM 213 N TRP A 13 -8.199 3.726 -2.690 1.00 0.00 N ATOM 214 CA TRP A 13 -8.395 3.784 -1.245 1.00 0.00 C ATOM 215 C TRP A 13 -9.853 4.071 -0.858 1.00 0.00 C ATOM 216 O TRP A 13 -10.483 3.261 -0.189 1.00 0.00 O ATOM 217 CB TRP A 13 -7.466 4.836 -0.633 1.00 0.00 C ATOM 218 CG TRP A 13 -7.617 4.971 0.852 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.904 6.110 1.543 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.505 3.924 1.825 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.960 5.838 2.891 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.722 4.504 3.086 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.239 2.552 1.750 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.682 3.763 4.262 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.202 1.818 2.920 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.421 2.426 4.160 1.00 0.00 C ATOM 0 H TRP A 13 -7.548 4.424 -3.050 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.149 2.800 -0.846 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.433 4.576 -0.864 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.664 5.801 -1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.064 7.081 1.099 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.148 6.520 3.626 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.066 2.076 0.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.851 4.228 5.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.001 0.758 2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.383 1.825 5.057 1.00 0.00 H new ATOM 237 N ASP A 14 -10.390 5.215 -1.282 1.00 0.00 N ATOM 238 CA ASP A 14 -11.760 5.602 -0.913 1.00 0.00 C ATOM 239 C ASP A 14 -12.814 4.599 -1.416 1.00 0.00 C ATOM 240 O ASP A 14 -13.846 4.403 -0.769 1.00 0.00 O ATOM 241 CB ASP A 14 -12.073 7.026 -1.399 1.00 0.00 C ATOM 242 CG ASP A 14 -11.735 8.074 -0.348 1.00 0.00 C ATOM 243 OD1 ASP A 14 -10.639 7.998 0.249 1.00 0.00 O ATOM 244 OD2 ASP A 14 -12.573 8.968 -0.096 1.00 0.00 O ATOM 0 H ASP A 14 -9.906 5.888 -1.876 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.813 5.588 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.509 7.231 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.130 7.097 -1.656 1.00 0.00 H new ATOM 249 N ALA A 15 -12.560 3.956 -2.556 1.00 0.00 N ATOM 250 CA ALA A 15 -13.454 2.897 -3.045 1.00 0.00 C ATOM 251 C ALA A 15 -13.441 1.693 -2.091 1.00 0.00 C ATOM 252 O ALA A 15 -14.472 1.316 -1.530 1.00 0.00 O ATOM 253 CB ALA A 15 -13.060 2.462 -4.452 1.00 0.00 C ATOM 0 H ALA A 15 -11.755 4.144 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.466 3.300 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.736 1.678 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.124 3.315 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.038 2.082 -4.443 1.00 0.00 H new ATOM 259 N ALA A 16 -12.259 1.109 -1.892 1.00 0.00 N ATOM 260 CA ALA A 16 -12.096 -0.031 -0.978 1.00 0.00 C ATOM 261 C ALA A 16 -12.472 0.337 0.467 1.00 0.00 C ATOM 262 O ALA A 16 -12.911 -0.512 1.244 1.00 0.00 O ATOM 263 CB ALA A 16 -10.667 -0.548 -1.034 1.00 0.00 C ATOM 0 H ALA A 16 -11.397 1.404 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.777 -0.817 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.559 -1.392 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.436 -0.869 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.981 0.246 -0.740 1.00 0.00 H new ATOM 269 N LYS A 17 -12.302 1.610 0.814 1.00 0.00 N ATOM 270 CA LYS A 17 -12.647 2.120 2.148 1.00 0.00 C ATOM 271 C LYS A 17 -14.172 2.174 2.338 1.00 0.00 C ATOM 272 O LYS A 17 -14.676 2.100 3.461 1.00 0.00 O ATOM 273 CB LYS A 17 -12.016 3.506 2.349 1.00 0.00 C ATOM 274 CG LYS A 17 -12.203 4.103 3.743 1.00 0.00 C ATOM 275 CD LYS A 17 -11.353 5.360 3.932 1.00 0.00 C ATOM 276 CE LYS A 17 -11.653 6.416 2.873 1.00 0.00 C ATOM 277 NZ LYS A 17 -10.788 7.618 3.013 1.00 0.00 N ATOM 0 H LYS A 17 -11.923 2.318 0.185 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.248 1.440 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.949 3.437 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.441 4.192 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.254 4.346 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.933 3.363 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.537 5.777 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.297 5.094 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.513 5.984 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.699 6.713 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.540 7.979 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.299 8.353 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.920 7.363 3.525 1.00 0.00 H new ATOM 291 N ALA A 18 -14.901 2.313 1.232 1.00 0.00 N ATOM 292 CA ALA A 18 -16.364 2.207 1.249 1.00 0.00 C ATOM 293 C ALA A 18 -16.805 0.734 1.323 1.00 0.00 C ATOM 294 O ALA A 18 -17.856 0.412 1.879 1.00 0.00 O ATOM 295 CB ALA A 18 -16.958 2.882 0.017 1.00 0.00 C ATOM 0 H ALA A 18 -14.505 2.499 0.311 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.735 2.717 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.044 2.796 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.678 3.935 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.577 2.398 -0.882 1.00 0.00 H new ATOM 301 N GLN A 19 -15.991 -0.153 0.748 1.00 0.00 N ATOM 302 CA GLN A 19 -16.248 -1.600 0.797 1.00 0.00 C ATOM 303 C GLN A 19 -15.828 -2.188 2.158 1.00 0.00 C ATOM 304 O GLN A 19 -16.392 -3.178 2.624 1.00 0.00 O ATOM 305 CB GLN A 19 -15.478 -2.321 -0.325 1.00 0.00 C ATOM 306 CG GLN A 19 -15.549 -1.639 -1.694 1.00 0.00 C ATOM 307 CD GLN A 19 -16.937 -1.632 -2.321 1.00 0.00 C ATOM 308 OE1 GLN A 19 -17.955 -1.638 -1.635 1.00 0.00 O ATOM 309 NE2 GLN A 19 -16.986 -1.610 -3.637 1.00 0.00 N ATOM 0 H GLN A 19 -15.144 0.103 0.240 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.319 -1.752 0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.432 -2.407 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.867 -3.335 -0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.204 -0.610 -1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.859 -2.141 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.122 -1.606 -4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.888 -1.597 -4.114 1.00 0.00 H new ATOM 318 N GLY A 20 -14.821 -1.571 2.780 1.00 0.00 N ATOM 319 CA GLY A 20 -14.299 -2.049 4.061 1.00 0.00 C ATOM 320 C GLY A 20 -13.078 -2.958 3.913 1.00 0.00 C ATOM 321 O GLY A 20 -12.478 -3.378 4.904 1.00 0.00 O ATOM 0 H GLY A 20 -14.352 -0.741 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.033 -1.192 4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.085 -2.590 4.587 1.00 0.00 H new ATOM 325 N ARG A 21 -12.686 -3.235 2.671 1.00 0.00 N ATOM 326 CA ARG A 21 -11.604 -4.187 2.388 1.00 0.00 C ATOM 327 C ARG A 21 -10.818 -3.804 1.120 1.00 0.00 C ATOM 328 O ARG A 21 -11.398 -3.635 0.049 1.00 0.00 O ATOM 329 CB ARG A 21 -12.193 -5.602 2.237 1.00 0.00 C ATOM 330 CG ARG A 21 -13.424 -5.661 1.328 1.00 0.00 C ATOM 331 CD ARG A 21 -14.041 -7.059 1.273 1.00 0.00 C ATOM 332 NE ARG A 21 -13.240 -7.996 0.484 1.00 0.00 N ATOM 333 CZ ARG A 21 -12.976 -9.226 0.844 1.00 0.00 C ATOM 334 NH1 ARG A 21 -13.382 -9.680 1.985 1.00 0.00 N ATOM 335 NH2 ARG A 21 -12.306 -10.005 0.058 1.00 0.00 N ATOM 0 H ARG A 21 -13.101 -2.814 1.839 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.905 -4.162 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.425 -6.265 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.461 -5.982 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.170 -4.951 1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.144 -5.350 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.150 -7.444 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.042 -6.994 0.847 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.863 -7.669 -0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.913 -9.078 2.614 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.171 -10.640 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.982 -9.661 -0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.102 -10.963 0.342 1.00 0.00 H new ATOM 349 N PHE A 22 -9.498 -3.671 1.250 1.00 0.00 N ATOM 350 CA PHE A 22 -8.626 -3.384 0.102 1.00 0.00 C ATOM 351 C PHE A 22 -8.065 -4.689 -0.488 1.00 0.00 C ATOM 352 O PHE A 22 -7.328 -5.422 0.176 1.00 0.00 O ATOM 353 CB PHE A 22 -7.476 -2.452 0.517 1.00 0.00 C ATOM 354 CG PHE A 22 -6.683 -1.918 -0.653 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.139 -0.817 -1.363 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.493 -2.516 -1.051 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.430 -0.325 -2.440 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.782 -2.024 -2.127 1.00 0.00 C ATOM 359 CZ PHE A 22 -5.249 -0.930 -2.822 1.00 0.00 C ATOM 0 H PHE A 22 -9.005 -3.757 2.139 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.221 -2.883 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.884 -1.614 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.805 -2.991 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.061 -0.338 -1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.121 -3.375 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.799 0.532 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.858 -2.497 -2.425 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.692 -0.546 -3.664 1.00 0.00 H new ATOM 369 N GLU A 23 -8.415 -4.975 -1.739 1.00 0.00 N ATOM 370 CA GLU A 23 -8.048 -6.251 -2.371 1.00 0.00 C ATOM 371 C GLU A 23 -6.989 -6.094 -3.478 1.00 0.00 C ATOM 372 O GLU A 23 -6.708 -7.042 -4.212 1.00 0.00 O ATOM 373 CB GLU A 23 -9.314 -6.933 -2.912 1.00 0.00 C ATOM 374 CG GLU A 23 -10.317 -7.275 -1.815 1.00 0.00 C ATOM 375 CD GLU A 23 -11.575 -7.940 -2.341 1.00 0.00 C ATOM 376 OE1 GLU A 23 -11.538 -9.160 -2.608 1.00 0.00 O ATOM 377 OE2 GLU A 23 -12.612 -7.260 -2.459 1.00 0.00 O ATOM 0 H GLU A 23 -8.950 -4.347 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.588 -6.878 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.790 -6.278 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.033 -7.845 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.841 -7.935 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.591 -6.363 -1.285 1.00 0.00 H new ATOM 384 N GLY A 24 -6.395 -4.905 -3.590 1.00 0.00 N ATOM 385 CA GLY A 24 -5.267 -4.712 -4.505 1.00 0.00 C ATOM 386 C GLY A 24 -5.580 -3.850 -5.724 1.00 0.00 C ATOM 387 O GLY A 24 -6.720 -3.433 -5.938 1.00 0.00 O ATOM 0 H GLY A 24 -6.670 -4.073 -3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.444 -4.256 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.921 -5.688 -4.845 1.00 0.00 H new ATOM 391 N SER A 25 -4.544 -3.588 -6.519 1.00 0.00 N ATOM 392 CA SER A 25 -4.659 -2.787 -7.747 1.00 0.00 C ATOM 393 C SER A 25 -4.043 -3.527 -8.943 1.00 0.00 C ATOM 394 O SER A 25 -3.587 -4.662 -8.811 1.00 0.00 O ATOM 395 CB SER A 25 -3.951 -1.441 -7.563 1.00 0.00 C ATOM 396 OG SER A 25 -4.074 -0.621 -8.715 1.00 0.00 O ATOM 0 H SER A 25 -3.599 -3.923 -6.334 1.00 0.00 H new ATOM 0 HA SER A 25 -5.718 -2.621 -7.945 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.372 -0.923 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.896 -1.611 -7.348 1.00 0.00 H new ATOM 0 HG SER A 25 -3.612 0.230 -8.562 1.00 0.00 H new ATOM 402 N ALA A 26 -4.006 -2.869 -10.103 1.00 0.00 N ATOM 403 CA ALA A 26 -3.460 -3.470 -11.331 1.00 0.00 C ATOM 404 C ALA A 26 -2.016 -3.973 -11.144 1.00 0.00 C ATOM 405 O ALA A 26 -1.607 -4.962 -11.753 1.00 0.00 O ATOM 406 CB ALA A 26 -3.526 -2.465 -12.477 1.00 0.00 C ATOM 0 H ALA A 26 -4.348 -1.916 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.074 -4.338 -11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.120 -2.918 -13.382 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.563 -2.177 -12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.942 -1.581 -12.220 1.00 0.00 H new ATOM 412 N VAL A 27 -1.245 -3.282 -10.305 1.00 0.00 N ATOM 413 CA VAL A 27 0.135 -3.689 -10.004 1.00 0.00 C ATOM 414 C VAL A 27 0.160 -4.969 -9.147 1.00 0.00 C ATOM 415 O VAL A 27 0.913 -5.913 -9.419 1.00 0.00 O ATOM 416 CB VAL A 27 0.904 -2.560 -9.268 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.370 -2.942 -9.056 1.00 0.00 C ATOM 418 CG2 VAL A 27 0.791 -1.241 -10.033 1.00 0.00 C ATOM 0 H VAL A 27 -1.549 -2.438 -9.820 1.00 0.00 H new ATOM 0 HA VAL A 27 0.627 -3.889 -10.956 1.00 0.00 H new ATOM 0 HB VAL A 27 0.448 -2.426 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.886 -2.133 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.426 -3.851 -8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.844 -3.115 -10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.337 -0.463 -9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.213 -1.362 -11.031 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.258 -0.957 -10.115 1.00 0.00 H new ATOM 428 N ASP A 28 -0.676 -4.996 -8.114 1.00 0.00 N ATOM 429 CA ASP A 28 -0.798 -6.167 -7.247 1.00 0.00 C ATOM 430 C ASP A 28 -1.306 -7.385 -8.038 1.00 0.00 C ATOM 431 O ASP A 28 -0.852 -8.510 -7.831 1.00 0.00 O ATOM 432 CB ASP A 28 -1.734 -5.852 -6.077 1.00 0.00 C ATOM 433 CG ASP A 28 -1.279 -4.630 -5.298 1.00 0.00 C ATOM 434 OD1 ASP A 28 -0.393 -4.768 -4.430 1.00 0.00 O ATOM 435 OD2 ASP A 28 -1.799 -3.522 -5.561 1.00 0.00 O ATOM 0 H ASP A 28 -1.282 -4.218 -7.855 1.00 0.00 H new ATOM 0 HA ASP A 28 0.188 -6.414 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.743 -5.686 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.781 -6.712 -5.408 1.00 0.00 H new ATOM 440 N LEU A 29 -2.238 -7.140 -8.958 1.00 0.00 N ATOM 441 CA LEU A 29 -2.772 -8.190 -9.832 1.00 0.00 C ATOM 442 C LEU A 29 -1.755 -8.600 -10.915 1.00 0.00 C ATOM 443 O LEU A 29 -1.844 -9.692 -11.480 1.00 0.00 O ATOM 444 CB LEU A 29 -4.078 -7.714 -10.485 1.00 0.00 C ATOM 445 CG LEU A 29 -5.208 -7.354 -9.503 1.00 0.00 C ATOM 446 CD1 LEU A 29 -6.427 -6.825 -10.252 1.00 0.00 C ATOM 447 CD2 LEU A 29 -5.586 -8.560 -8.647 1.00 0.00 C ATOM 0 H LEU A 29 -2.643 -6.218 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.972 -9.068 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.861 -6.841 -11.100 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.436 -8.495 -11.156 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.844 -6.567 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.213 -6.577 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.150 -5.932 -10.812 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.790 -7.588 -10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.386 -8.283 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.925 -9.371 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.717 -8.889 -8.077 1.00 0.00 H new ATOM 459 N ALA A 30 -0.800 -7.713 -11.209 1.00 0.00 N ATOM 460 CA ALA A 30 0.290 -8.023 -12.147 1.00 0.00 C ATOM 461 C ALA A 30 1.221 -9.098 -11.568 1.00 0.00 C ATOM 462 O ALA A 30 1.696 -9.981 -12.285 1.00 0.00 O ATOM 463 CB ALA A 30 1.075 -6.761 -12.490 1.00 0.00 C ATOM 0 H ALA A 30 -0.757 -6.774 -10.813 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.151 -8.415 -13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.877 -7.009 -13.185 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.408 -6.032 -12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.501 -6.339 -11.580 1.00 0.00 H new ATOM 469 N ASP A 31 1.496 -9.002 -10.270 1.00 0.00 N ATOM 470 CA ASP A 31 2.212 -10.064 -9.554 1.00 0.00 C ATOM 471 C ASP A 31 1.292 -11.275 -9.313 1.00 0.00 C ATOM 472 O ASP A 31 1.570 -12.392 -9.759 1.00 0.00 O ATOM 473 CB ASP A 31 2.733 -9.542 -8.209 1.00 0.00 C ATOM 474 CG ASP A 31 3.844 -8.519 -8.359 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.614 -7.463 -8.984 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.943 -8.750 -7.820 1.00 0.00 O ATOM 0 H ASP A 31 1.237 -8.204 -9.690 1.00 0.00 H new ATOM 0 HA ASP A 31 3.055 -10.378 -10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.908 -9.095 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.097 -10.381 -7.616 1.00 0.00 H new ATOM 481 N GLY A 32 0.194 -11.031 -8.605 1.00 0.00 N ATOM 482 CA GLY A 32 -0.749 -12.087 -8.254 1.00 0.00 C ATOM 483 C GLY A 32 -1.538 -11.744 -6.995 1.00 0.00 C ATOM 484 O GLY A 32 -2.767 -11.836 -6.968 1.00 0.00 O ATOM 0 H GLY A 32 -0.066 -10.106 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.438 -12.249 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.209 -13.021 -8.101 1.00 0.00 H new ATOM 488 N PHE A 33 -0.819 -11.335 -5.952 1.00 0.00 N ATOM 489 CA PHE A 33 -1.432 -10.892 -4.693 1.00 0.00 C ATOM 490 C PHE A 33 -0.877 -9.525 -4.266 1.00 0.00 C ATOM 491 O PHE A 33 0.109 -9.041 -4.830 1.00 0.00 O ATOM 492 CB PHE A 33 -1.187 -11.925 -3.581 1.00 0.00 C ATOM 493 CG PHE A 33 -1.890 -13.242 -3.807 1.00 0.00 C ATOM 494 CD1 PHE A 33 -3.202 -13.426 -3.389 1.00 0.00 C ATOM 495 CD2 PHE A 33 -1.239 -14.297 -4.435 1.00 0.00 C ATOM 496 CE1 PHE A 33 -3.847 -14.631 -3.591 1.00 0.00 C ATOM 497 CE2 PHE A 33 -1.882 -15.504 -4.641 1.00 0.00 C ATOM 498 CZ PHE A 33 -3.187 -15.671 -4.219 1.00 0.00 C ATOM 0 H PHE A 33 0.200 -11.300 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.505 -10.796 -4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.115 -12.106 -3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.517 -11.506 -2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.724 -12.617 -2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.219 -14.173 -4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.866 -14.761 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.365 -16.315 -5.131 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.691 -16.613 -4.379 1.00 0.00 H new ATOM 508 N ILE A 34 -1.507 -8.915 -3.261 1.00 0.00 N ATOM 509 CA ILE A 34 -1.083 -7.607 -2.748 1.00 0.00 C ATOM 510 C ILE A 34 0.402 -7.620 -2.345 1.00 0.00 C ATOM 511 O ILE A 34 0.869 -8.550 -1.689 1.00 0.00 O ATOM 512 CB ILE A 34 -1.944 -7.184 -1.526 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.437 -7.169 -1.900 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.506 -5.818 -0.995 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.358 -6.829 -0.744 1.00 0.00 C ATOM 0 H ILE A 34 -2.318 -9.307 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.223 -6.885 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.794 -7.917 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.593 -6.446 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.712 -8.147 -2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.124 -5.545 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.461 -5.865 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.620 -5.069 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.392 -6.839 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.233 -7.565 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.112 -5.838 -0.362 1.00 0.00 H new ATOM 527 N HIS A 35 1.146 -6.597 -2.749 1.00 0.00 N ATOM 528 CA HIS A 35 2.575 -6.518 -2.427 1.00 0.00 C ATOM 529 C HIS A 35 3.015 -5.077 -2.144 1.00 0.00 C ATOM 530 O HIS A 35 2.854 -4.185 -2.978 1.00 0.00 O ATOM 531 CB HIS A 35 3.418 -7.124 -3.558 1.00 0.00 C ATOM 532 CG HIS A 35 3.189 -6.499 -4.899 1.00 0.00 C ATOM 533 ND1 HIS A 35 3.892 -5.404 -5.346 1.00 0.00 N ATOM 534 CD2 HIS A 35 2.351 -6.838 -5.905 1.00 0.00 C ATOM 535 CE1 HIS A 35 3.500 -5.099 -6.565 1.00 0.00 C ATOM 536 NE2 HIS A 35 2.566 -5.952 -6.935 1.00 0.00 N ATOM 0 H HIS A 35 0.791 -5.813 -3.297 1.00 0.00 H new ATOM 0 HA HIS A 35 2.738 -7.097 -1.518 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.473 -7.028 -3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.202 -8.190 -3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.643 -7.654 -5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.881 -4.284 -7.163 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.084 -5.955 -7.834 1.00 0.00 H new ATOM 545 N LEU A 36 3.589 -4.864 -0.966 1.00 0.00 N ATOM 546 CA LEU A 36 4.038 -3.535 -0.550 1.00 0.00 C ATOM 547 C LEU A 36 5.541 -3.356 -0.832 1.00 0.00 C ATOM 548 O LEU A 36 6.129 -4.109 -1.612 1.00 0.00 O ATOM 549 CB LEU A 36 3.731 -3.319 0.946 1.00 0.00 C ATOM 550 CG LEU A 36 2.236 -3.385 1.331 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.735 -4.830 1.385 1.00 0.00 C ATOM 552 CD2 LEU A 36 1.982 -2.675 2.660 1.00 0.00 C ATOM 0 H LEU A 36 3.756 -5.597 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 36 3.497 -2.785 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.271 -4.070 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.123 -2.346 1.243 1.00 0.00 H new ATOM 0 HG LEU A 36 1.674 -2.867 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.680 -4.839 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.860 -5.295 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.307 -5.386 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.922 -2.736 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.567 -3.153 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.275 -1.629 2.575 1.00 0.00 H new ATOM 564 N SER A 37 6.160 -2.358 -0.206 1.00 0.00 N ATOM 565 CA SER A 37 7.596 -2.092 -0.395 1.00 0.00 C ATOM 566 C SER A 37 8.283 -1.762 0.938 1.00 0.00 C ATOM 567 O SER A 37 7.661 -1.219 1.851 1.00 0.00 O ATOM 568 CB SER A 37 7.794 -0.938 -1.384 1.00 0.00 C ATOM 569 OG SER A 37 7.193 0.257 -0.910 1.00 0.00 O ATOM 0 H SER A 37 5.696 -1.717 0.437 1.00 0.00 H new ATOM 0 HA SER A 37 8.053 -2.996 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.859 -0.773 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.364 -1.206 -2.349 1.00 0.00 H new ATOM 0 HG SER A 37 6.362 0.040 -0.437 1.00 0.00 H new ATOM 575 N ALA A 38 9.568 -2.095 1.050 1.00 0.00 N ATOM 576 CA ALA A 38 10.312 -1.890 2.298 1.00 0.00 C ATOM 577 C ALA A 38 11.162 -0.606 2.272 1.00 0.00 C ATOM 578 O ALA A 38 12.159 -0.517 1.550 1.00 0.00 O ATOM 579 CB ALA A 38 11.193 -3.101 2.580 1.00 0.00 C ATOM 0 H ALA A 38 10.117 -2.507 0.295 1.00 0.00 H new ATOM 0 HA ALA A 38 9.581 -1.772 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.743 -2.943 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.570 -3.990 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.897 -3.237 1.760 1.00 0.00 H new ATOM 585 N GLY A 39 10.744 0.391 3.057 1.00 0.00 N ATOM 586 CA GLY A 39 11.524 1.617 3.233 1.00 0.00 C ATOM 587 C GLY A 39 11.866 2.346 1.932 1.00 0.00 C ATOM 588 O GLY A 39 11.013 3.010 1.339 1.00 0.00 O ATOM 0 H GLY A 39 9.869 0.372 3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.968 2.296 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.451 1.371 3.751 1.00 0.00 H new ATOM 592 N GLU A 40 13.119 2.214 1.494 1.00 0.00 N ATOM 593 CA GLU A 40 13.610 2.906 0.293 1.00 0.00 C ATOM 594 C GLU A 40 12.781 2.543 -0.949 1.00 0.00 C ATOM 595 O GLU A 40 12.437 3.412 -1.755 1.00 0.00 O ATOM 596 CB GLU A 40 15.087 2.560 0.050 1.00 0.00 C ATOM 597 CG GLU A 40 15.675 3.203 -1.203 1.00 0.00 C ATOM 598 CD GLU A 40 17.110 2.779 -1.464 1.00 0.00 C ATOM 599 OE1 GLU A 40 17.317 1.716 -2.088 1.00 0.00 O ATOM 600 OE2 GLU A 40 18.039 3.501 -1.041 1.00 0.00 O ATOM 0 H GLU A 40 13.819 1.631 1.954 1.00 0.00 H new ATOM 0 HA GLU A 40 13.509 3.978 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.671 2.874 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.188 1.477 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.061 2.939 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.634 4.288 -1.103 1.00 0.00 H new ATOM 607 N GLN A 41 12.447 1.257 -1.080 1.00 0.00 N ATOM 608 CA GLN A 41 11.683 0.756 -2.231 1.00 0.00 C ATOM 609 C GLN A 41 10.378 1.546 -2.446 1.00 0.00 C ATOM 610 O GLN A 41 9.891 1.661 -3.573 1.00 0.00 O ATOM 611 CB GLN A 41 11.363 -0.735 -2.044 1.00 0.00 C ATOM 612 CG GLN A 41 12.595 -1.624 -1.917 1.00 0.00 C ATOM 613 CD GLN A 41 12.234 -3.083 -1.684 1.00 0.00 C ATOM 614 OE1 GLN A 41 12.083 -3.523 -0.548 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.093 -3.844 -2.752 1.00 0.00 N ATOM 0 H GLN A 41 12.694 0.538 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 41 12.303 0.891 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.748 -0.855 -1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.767 -1.077 -2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.195 -1.541 -2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.213 -1.269 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.225 -3.447 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.851 -4.829 -2.648 1.00 0.00 H new ATOM 624 N ALA A 42 9.824 2.088 -1.361 1.00 0.00 N ATOM 625 CA ALA A 42 8.603 2.895 -1.431 1.00 0.00 C ATOM 626 C ALA A 42 8.826 4.183 -2.234 1.00 0.00 C ATOM 627 O ALA A 42 8.134 4.439 -3.221 1.00 0.00 O ATOM 628 CB ALA A 42 8.110 3.224 -0.028 1.00 0.00 C ATOM 0 H ALA A 42 10.202 1.983 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 42 7.843 2.309 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.202 3.824 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.897 2.300 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.878 3.784 0.505 1.00 0.00 H new ATOM 634 N GLN A 43 9.805 4.983 -1.811 1.00 0.00 N ATOM 635 CA GLN A 43 10.140 6.230 -2.506 1.00 0.00 C ATOM 636 C GLN A 43 10.592 5.963 -3.945 1.00 0.00 C ATOM 637 O GLN A 43 10.194 6.671 -4.874 1.00 0.00 O ATOM 638 CB GLN A 43 11.230 6.991 -1.743 1.00 0.00 C ATOM 639 CG GLN A 43 11.795 8.183 -2.510 1.00 0.00 C ATOM 640 CD GLN A 43 12.674 9.070 -1.653 1.00 0.00 C ATOM 641 OE1 GLN A 43 13.877 8.857 -1.538 1.00 0.00 O ATOM 642 NE2 GLN A 43 12.077 10.076 -1.051 1.00 0.00 N ATOM 0 H GLN A 43 10.381 4.792 -0.991 1.00 0.00 H new ATOM 0 HA GLN A 43 9.239 6.842 -2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.821 7.341 -0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.043 6.304 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.372 7.821 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.972 8.774 -2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.074 10.220 -1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.617 10.712 -0.464 1.00 0.00 H new ATOM 651 N GLU A 44 11.423 4.940 -4.123 1.00 0.00 N ATOM 652 CA GLU A 44 11.884 4.545 -5.454 1.00 0.00 C ATOM 653 C GLU A 44 10.696 4.263 -6.385 1.00 0.00 C ATOM 654 O GLU A 44 10.557 4.892 -7.431 1.00 0.00 O ATOM 655 CB GLU A 44 12.794 3.312 -5.356 1.00 0.00 C ATOM 656 CG GLU A 44 14.069 3.544 -4.549 1.00 0.00 C ATOM 657 CD GLU A 44 14.978 4.601 -5.162 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.783 4.254 -6.053 1.00 0.00 O ATOM 659 OE2 GLU A 44 14.896 5.781 -4.758 1.00 0.00 O ATOM 0 H GLU A 44 11.792 4.368 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 44 12.456 5.371 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.233 2.494 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.066 2.993 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.801 3.846 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.617 2.605 -4.467 1.00 0.00 H new ATOM 666 N THR A 45 9.824 3.339 -5.985 1.00 0.00 N ATOM 667 CA THR A 45 8.626 3.009 -6.773 1.00 0.00 C ATOM 668 C THR A 45 7.752 4.252 -7.011 1.00 0.00 C ATOM 669 O THR A 45 7.200 4.441 -8.099 1.00 0.00 O ATOM 670 CB THR A 45 7.780 1.912 -6.080 1.00 0.00 C ATOM 671 OG1 THR A 45 8.580 0.739 -5.867 1.00 0.00 O ATOM 672 CG2 THR A 45 6.554 1.544 -6.910 1.00 0.00 C ATOM 0 H THR A 45 9.920 2.804 -5.122 1.00 0.00 H new ATOM 0 HA THR A 45 8.975 2.632 -7.735 1.00 0.00 H new ATOM 0 HB THR A 45 7.440 2.309 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.140 0.865 -5.073 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.984 0.772 -6.394 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.929 2.426 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.872 1.170 -7.883 1.00 0.00 H new ATOM 680 N ALA A 46 7.653 5.108 -5.995 1.00 0.00 N ATOM 681 CA ALA A 46 6.878 6.350 -6.094 1.00 0.00 C ATOM 682 C ALA A 46 7.476 7.321 -7.128 1.00 0.00 C ATOM 683 O ALA A 46 6.747 8.030 -7.825 1.00 0.00 O ATOM 684 CB ALA A 46 6.796 7.023 -4.728 1.00 0.00 C ATOM 0 H ALA A 46 8.101 4.966 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 46 5.876 6.088 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.219 7.944 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.309 6.352 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.801 7.255 -4.376 1.00 0.00 H new ATOM 690 N ALA A 47 8.805 7.352 -7.217 1.00 0.00 N ATOM 691 CA ALA A 47 9.507 8.238 -8.157 1.00 0.00 C ATOM 692 C ALA A 47 9.629 7.615 -9.560 1.00 0.00 C ATOM 693 O ALA A 47 9.763 8.326 -10.557 1.00 0.00 O ATOM 694 CB ALA A 47 10.889 8.585 -7.610 1.00 0.00 C ATOM 0 H ALA A 47 9.423 6.773 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 47 8.915 9.148 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.404 9.242 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.784 9.090 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.468 7.671 -7.477 1.00 0.00 H new ATOM 700 N LYS A 48 9.587 6.289 -9.634 1.00 0.00 N ATOM 701 CA LYS A 48 9.718 5.576 -10.899 1.00 0.00 C ATOM 702 C LYS A 48 8.361 5.367 -11.601 1.00 0.00 C ATOM 703 O LYS A 48 8.158 5.815 -12.731 1.00 0.00 O ATOM 704 CB LYS A 48 10.377 4.218 -10.639 1.00 0.00 C ATOM 705 CG LYS A 48 11.797 4.304 -10.076 1.00 0.00 C ATOM 706 CD LYS A 48 12.342 2.923 -9.710 1.00 0.00 C ATOM 707 CE LYS A 48 13.699 2.998 -9.012 1.00 0.00 C ATOM 708 NZ LYS A 48 14.736 3.648 -9.858 1.00 0.00 N ATOM 0 H LYS A 48 9.462 5.682 -8.824 1.00 0.00 H new ATOM 0 HA LYS A 48 10.333 6.184 -11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.756 3.654 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.402 3.655 -11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.453 4.771 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.801 4.943 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.630 2.415 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.434 2.321 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.595 3.552 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.026 1.992 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.654 3.615 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.809 3.145 -10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.472 4.639 -10.031 1.00 0.00 H new ATOM 722 N TRP A 49 7.435 4.686 -10.922 1.00 0.00 N ATOM 723 CA TRP A 49 6.176 4.238 -11.548 1.00 0.00 C ATOM 724 C TRP A 49 4.991 5.187 -11.281 1.00 0.00 C ATOM 725 O TRP A 49 4.124 5.367 -12.137 1.00 0.00 O ATOM 726 CB TRP A 49 5.830 2.826 -11.050 1.00 0.00 C ATOM 727 CG TRP A 49 6.936 1.831 -11.270 1.00 0.00 C ATOM 728 CD1 TRP A 49 7.871 1.430 -10.358 1.00 0.00 C ATOM 729 CD2 TRP A 49 7.226 1.119 -12.479 1.00 0.00 C ATOM 730 NE1 TRP A 49 8.722 0.514 -10.926 1.00 0.00 N ATOM 731 CE2 TRP A 49 8.346 0.305 -12.226 1.00 0.00 C ATOM 732 CE3 TRP A 49 6.647 1.090 -13.750 1.00 0.00 C ATOM 733 CZ2 TRP A 49 8.899 -0.527 -13.195 1.00 0.00 C ATOM 734 CZ3 TRP A 49 7.194 0.261 -14.713 1.00 0.00 C ATOM 735 CH2 TRP A 49 8.312 -0.538 -14.430 1.00 0.00 C ATOM 0 H TRP A 49 7.528 4.430 -9.939 1.00 0.00 H new ATOM 0 HA TRP A 49 6.341 4.238 -12.626 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.597 2.870 -9.986 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.931 2.479 -11.559 1.00 0.00 H new ATOM 0 HD1 TRP A 49 7.932 1.782 -9.339 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.507 0.063 -10.456 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.788 1.704 -13.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 9.760 -1.142 -12.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 6.753 0.228 -15.698 1.00 0.00 H new ATOM 0 HH2 TRP A 49 8.717 -1.174 -15.203 1.00 0.00 H new ATOM 746 N PHE A 50 4.958 5.807 -10.107 1.00 0.00 N ATOM 747 CA PHE A 50 3.811 6.627 -9.701 1.00 0.00 C ATOM 748 C PHE A 50 4.089 8.109 -9.944 1.00 0.00 C ATOM 749 O PHE A 50 4.178 8.908 -9.012 1.00 0.00 O ATOM 750 CB PHE A 50 3.458 6.372 -8.229 1.00 0.00 C ATOM 751 CG PHE A 50 2.885 4.997 -7.977 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.515 4.779 -8.060 1.00 0.00 C ATOM 753 CD2 PHE A 50 3.710 3.926 -7.663 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.982 3.523 -7.832 1.00 0.00 C ATOM 755 CE2 PHE A 50 3.181 2.669 -7.435 1.00 0.00 C ATOM 756 CZ PHE A 50 1.815 2.468 -7.519 1.00 0.00 C ATOM 0 H PHE A 50 5.708 5.761 -9.417 1.00 0.00 H new ATOM 0 HA PHE A 50 2.955 6.341 -10.312 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.354 6.501 -7.621 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.739 7.123 -7.901 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.858 5.600 -8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.777 4.076 -7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.085 3.368 -7.899 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.834 1.844 -7.191 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.401 1.487 -7.340 1.00 0.00 H new ATOM 766 N ARG A 51 4.247 8.458 -11.214 1.00 0.00 N ATOM 767 CA ARG A 51 4.582 9.812 -11.614 1.00 0.00 C ATOM 768 C ARG A 51 3.414 10.535 -12.310 1.00 0.00 C ATOM 769 O ARG A 51 2.692 9.950 -13.119 1.00 0.00 O ATOM 770 CB ARG A 51 5.794 9.756 -12.541 1.00 0.00 C ATOM 771 CG ARG A 51 7.114 9.417 -11.849 1.00 0.00 C ATOM 772 CD ARG A 51 7.491 10.449 -10.784 1.00 0.00 C ATOM 773 NE ARG A 51 6.745 10.263 -9.537 1.00 0.00 N ATOM 774 CZ ARG A 51 6.306 11.233 -8.785 1.00 0.00 C ATOM 775 NH1 ARG A 51 6.418 12.464 -9.162 1.00 0.00 N ATOM 776 NH2 ARG A 51 5.710 10.965 -7.671 1.00 0.00 N ATOM 0 H ARG A 51 4.146 7.808 -11.993 1.00 0.00 H new ATOM 0 HA ARG A 51 4.806 10.386 -10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.606 9.015 -13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.898 10.720 -13.039 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.038 8.433 -11.387 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.908 9.359 -12.593 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.559 10.381 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.304 11.451 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 51 6.556 9.307 -9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.854 12.686 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.070 13.214 -8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.583 9.995 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.366 11.723 -7.081 1.00 0.00 H new ATOM 790 N GLY A 52 3.245 11.815 -11.973 1.00 0.00 N ATOM 791 CA GLY A 52 2.257 12.669 -12.631 1.00 0.00 C ATOM 792 C GLY A 52 0.814 12.170 -12.546 1.00 0.00 C ATOM 793 O GLY A 52 0.059 12.286 -13.512 1.00 0.00 O ATOM 0 H GLY A 52 3.783 12.284 -11.244 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.308 13.665 -12.190 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.529 12.771 -13.682 1.00 0.00 H new ATOM 797 N GLN A 53 0.419 11.634 -11.393 1.00 0.00 N ATOM 798 CA GLN A 53 -0.959 11.154 -11.197 1.00 0.00 C ATOM 799 C GLN A 53 -1.680 11.968 -10.108 1.00 0.00 C ATOM 800 O GLN A 53 -1.075 12.363 -9.108 1.00 0.00 O ATOM 801 CB GLN A 53 -0.959 9.660 -10.839 1.00 0.00 C ATOM 802 CG GLN A 53 -0.315 8.771 -11.902 1.00 0.00 C ATOM 803 CD GLN A 53 -0.402 7.291 -11.569 1.00 0.00 C ATOM 804 OE1 GLN A 53 -1.344 6.608 -11.954 1.00 0.00 O ATOM 805 NE2 GLN A 53 0.572 6.786 -10.839 1.00 0.00 N ATOM 0 H GLN A 53 1.025 11.519 -10.581 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.501 11.290 -12.133 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.431 9.522 -9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.987 9.334 -10.680 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.800 8.951 -12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.732 9.051 -12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.342 7.381 -10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.556 5.800 -10.579 1.00 0.00 H new ATOM 814 N ALA A 54 -2.971 12.219 -10.316 1.00 0.00 N ATOM 815 CA ALA A 54 -3.764 13.062 -9.410 1.00 0.00 C ATOM 816 C ALA A 54 -4.193 12.319 -8.136 1.00 0.00 C ATOM 817 O ALA A 54 -4.783 11.238 -8.199 1.00 0.00 O ATOM 818 CB ALA A 54 -4.991 13.609 -10.138 1.00 0.00 C ATOM 0 H ALA A 54 -3.497 11.850 -11.108 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.123 13.887 -9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.571 14.232 -9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.671 14.206 -10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.608 12.780 -10.485 1.00 0.00 H new ATOM 824 N ASN A 55 -3.898 12.931 -6.984 1.00 0.00 N ATOM 825 CA ASN A 55 -4.281 12.399 -5.668 1.00 0.00 C ATOM 826 C ASN A 55 -3.701 10.995 -5.410 1.00 0.00 C ATOM 827 O ASN A 55 -4.363 9.976 -5.629 1.00 0.00 O ATOM 828 CB ASN A 55 -5.809 12.388 -5.509 1.00 0.00 C ATOM 829 CG ASN A 55 -6.422 13.772 -5.639 1.00 0.00 C ATOM 830 OD1 ASN A 55 -5.794 14.779 -5.325 1.00 0.00 O ATOM 831 ND2 ASN A 55 -7.653 13.837 -6.106 1.00 0.00 N ATOM 0 H ASN A 55 -3.386 13.812 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.852 13.066 -4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.244 11.730 -6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.066 11.971 -4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.110 14.742 -6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.149 12.982 -6.358 1.00 0.00 H new ATOM 838 N LEU A 56 -2.456 10.952 -4.942 1.00 0.00 N ATOM 839 CA LEU A 56 -1.789 9.686 -4.616 1.00 0.00 C ATOM 840 C LEU A 56 -1.789 9.430 -3.102 1.00 0.00 C ATOM 841 O LEU A 56 -1.504 10.324 -2.307 1.00 0.00 O ATOM 842 CB LEU A 56 -0.347 9.682 -5.149 1.00 0.00 C ATOM 843 CG LEU A 56 -0.213 9.748 -6.681 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.255 9.733 -7.102 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.975 8.596 -7.334 1.00 0.00 C ATOM 0 H LEU A 56 -1.884 11.780 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.348 8.884 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.185 10.530 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.151 8.779 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.650 10.687 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.322 9.780 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.767 10.593 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.725 8.815 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.870 8.658 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.570 7.647 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.030 8.660 -7.068 1.00 0.00 H new ATOM 857 N VAL A 57 -2.114 8.203 -2.713 1.00 0.00 N ATOM 858 CA VAL A 57 -2.143 7.813 -1.299 1.00 0.00 C ATOM 859 C VAL A 57 -1.042 6.788 -0.990 1.00 0.00 C ATOM 860 O VAL A 57 -0.606 6.043 -1.867 1.00 0.00 O ATOM 861 CB VAL A 57 -3.527 7.218 -0.912 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.584 6.861 0.575 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.647 8.188 -1.277 1.00 0.00 C ATOM 0 H VAL A 57 -2.363 7.453 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.967 8.713 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.666 6.298 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.564 6.448 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.814 6.123 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.414 7.758 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.608 7.755 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.504 9.127 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.630 8.376 -2.351 1.00 0.00 H new ATOM 873 N LEU A 58 -0.588 6.762 0.256 1.00 0.00 N ATOM 874 CA LEU A 58 0.404 5.787 0.699 1.00 0.00 C ATOM 875 C LEU A 58 -0.081 5.091 1.982 1.00 0.00 C ATOM 876 O LEU A 58 -0.246 5.727 3.027 1.00 0.00 O ATOM 877 CB LEU A 58 1.761 6.484 0.928 1.00 0.00 C ATOM 878 CG LEU A 58 3.010 5.585 0.830 1.00 0.00 C ATOM 879 CD1 LEU A 58 4.285 6.417 0.967 1.00 0.00 C ATOM 880 CD2 LEU A 58 2.979 4.474 1.875 1.00 0.00 C ATOM 0 H LEU A 58 -0.892 7.409 0.983 1.00 0.00 H new ATOM 0 HA LEU A 58 0.535 5.029 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.860 7.290 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.747 6.946 1.915 1.00 0.00 H new ATOM 0 HG LEU A 58 3.006 5.116 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.155 5.764 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.322 7.160 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.288 6.921 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.874 3.859 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.946 4.913 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.095 3.855 1.722 1.00 0.00 H new ATOM 892 N LEU A 59 -0.331 3.789 1.893 1.00 0.00 N ATOM 893 CA LEU A 59 -0.739 3.000 3.057 1.00 0.00 C ATOM 894 C LEU A 59 0.482 2.405 3.769 1.00 0.00 C ATOM 895 O LEU A 59 1.120 1.478 3.267 1.00 0.00 O ATOM 896 CB LEU A 59 -1.694 1.875 2.643 1.00 0.00 C ATOM 897 CG LEU A 59 -3.004 2.332 1.984 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.871 1.126 1.622 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.761 3.301 2.896 1.00 0.00 C ATOM 0 H LEU A 59 -0.259 3.254 1.027 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.257 3.668 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.171 1.213 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.938 1.285 3.526 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.760 2.862 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.795 1.469 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.330 0.485 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.107 0.563 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.685 3.612 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.996 2.806 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.142 4.176 3.091 1.00 0.00 H new ATOM 911 N ALA A 60 0.808 2.952 4.930 1.00 0.00 N ATOM 912 CA ALA A 60 1.921 2.446 5.735 1.00 0.00 C ATOM 913 C ALA A 60 1.412 1.471 6.802 1.00 0.00 C ATOM 914 O ALA A 60 0.767 1.878 7.771 1.00 0.00 O ATOM 915 CB ALA A 60 2.680 3.604 6.376 1.00 0.00 C ATOM 0 H ALA A 60 0.320 3.748 5.341 1.00 0.00 H new ATOM 0 HA ALA A 60 2.607 1.906 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.505 3.213 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.073 4.257 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.005 4.170 7.018 1.00 0.00 H new ATOM 921 N VAL A 61 1.680 0.184 6.605 1.00 0.00 N ATOM 922 CA VAL A 61 1.219 -0.856 7.529 1.00 0.00 C ATOM 923 C VAL A 61 2.406 -1.600 8.157 1.00 0.00 C ATOM 924 O VAL A 61 3.429 -1.814 7.507 1.00 0.00 O ATOM 925 CB VAL A 61 0.300 -1.876 6.802 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.257 -2.916 7.774 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.833 -1.156 6.068 1.00 0.00 C ATOM 0 H VAL A 61 2.216 -0.168 5.812 1.00 0.00 H new ATOM 0 HA VAL A 61 0.651 -0.362 8.318 1.00 0.00 H new ATOM 0 HB VAL A 61 0.906 -2.403 6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.896 -3.614 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.567 -3.461 8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.840 -2.416 8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.465 -1.889 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.430 -0.592 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.412 -0.473 5.330 1.00 0.00 H new ATOM 937 N GLU A 62 2.281 -1.983 9.424 1.00 0.00 N ATOM 938 CA GLU A 62 3.330 -2.765 10.081 1.00 0.00 C ATOM 939 C GLU A 62 3.347 -4.202 9.546 1.00 0.00 C ATOM 940 O GLU A 62 2.315 -4.874 9.518 1.00 0.00 O ATOM 941 CB GLU A 62 3.146 -2.766 11.607 1.00 0.00 C ATOM 942 CG GLU A 62 4.242 -3.529 12.349 1.00 0.00 C ATOM 943 CD GLU A 62 4.177 -3.353 13.858 1.00 0.00 C ATOM 944 OE1 GLU A 62 4.821 -2.416 14.376 1.00 0.00 O ATOM 945 OE2 GLU A 62 3.508 -4.162 14.535 1.00 0.00 O ATOM 0 H GLU A 62 1.476 -1.769 10.012 1.00 0.00 H new ATOM 0 HA GLU A 62 4.288 -2.296 9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.125 -1.736 11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.179 -3.207 11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.163 -4.589 12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.215 -3.193 11.992 1.00 0.00 H new ATOM 952 N ALA A 63 4.525 -4.659 9.119 1.00 0.00 N ATOM 953 CA ALA A 63 4.688 -5.997 8.540 1.00 0.00 C ATOM 954 C ALA A 63 4.152 -7.097 9.470 1.00 0.00 C ATOM 955 O ALA A 63 3.407 -7.976 9.035 1.00 0.00 O ATOM 956 CB ALA A 63 6.160 -6.244 8.218 1.00 0.00 C ATOM 0 H ALA A 63 5.389 -4.118 9.163 1.00 0.00 H new ATOM 0 HA ALA A 63 4.101 -6.037 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.276 -7.239 7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.506 -5.497 7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.749 -6.172 9.132 1.00 0.00 H new ATOM 962 N GLU A 64 4.538 -7.028 10.748 1.00 0.00 N ATOM 963 CA GLU A 64 4.115 -8.003 11.763 1.00 0.00 C ATOM 964 C GLU A 64 4.617 -9.430 11.471 1.00 0.00 C ATOM 965 O GLU A 64 5.036 -9.747 10.358 1.00 0.00 O ATOM 966 CB GLU A 64 2.584 -8.019 11.909 1.00 0.00 C ATOM 967 CG GLU A 64 1.992 -6.740 12.489 1.00 0.00 C ATOM 968 CD GLU A 64 0.553 -6.931 12.938 1.00 0.00 C ATOM 969 OE1 GLU A 64 0.347 -7.391 14.083 1.00 0.00 O ATOM 970 OE2 GLU A 64 -0.373 -6.636 12.154 1.00 0.00 O ATOM 0 H GLU A 64 5.151 -6.297 11.109 1.00 0.00 H new ATOM 0 HA GLU A 64 4.570 -7.678 12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.140 -8.199 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.301 -8.857 12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.595 -6.413 13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.036 -5.948 11.741 1.00 0.00 H new ATOM 977 N PRO A 65 4.614 -10.303 12.496 1.00 0.00 N ATOM 978 CA PRO A 65 4.898 -11.735 12.315 1.00 0.00 C ATOM 979 C PRO A 65 3.940 -12.417 11.317 1.00 0.00 C ATOM 980 O PRO A 65 4.384 -12.916 10.283 1.00 0.00 O ATOM 981 CB PRO A 65 4.713 -12.317 13.725 1.00 0.00 C ATOM 982 CG PRO A 65 4.914 -11.162 14.647 1.00 0.00 C ATOM 983 CD PRO A 65 4.388 -9.958 13.915 1.00 0.00 C ATOM 0 HA PRO A 65 5.891 -11.897 11.897 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.720 -12.751 13.846 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.434 -13.110 13.923 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.381 -11.313 15.585 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.968 -11.039 14.896 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.332 -9.788 14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.920 -9.050 14.199 1.00 0.00 H new ATOM 991 N LEU A 66 2.631 -12.423 11.654 1.00 0.00 N ATOM 992 CA LEU A 66 1.561 -13.063 10.845 1.00 0.00 C ATOM 993 C LEU A 66 2.082 -14.110 9.837 1.00 0.00 C ATOM 994 O LEU A 66 1.987 -13.940 8.617 1.00 0.00 O ATOM 995 CB LEU A 66 0.672 -11.998 10.164 1.00 0.00 C ATOM 996 CG LEU A 66 1.391 -10.732 9.656 1.00 0.00 C ATOM 997 CD1 LEU A 66 2.260 -11.027 8.440 1.00 0.00 C ATOM 998 CD2 LEU A 66 0.386 -9.625 9.345 1.00 0.00 C ATOM 0 H LEU A 66 2.281 -11.980 12.503 1.00 0.00 H new ATOM 0 HA LEU A 66 0.946 -13.627 11.546 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.164 -12.465 9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.099 -11.693 10.871 1.00 0.00 H new ATOM 0 HG LEU A 66 2.049 -10.388 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.750 -10.110 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.015 -11.768 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.638 -11.415 7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.916 -8.742 8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.306 -9.968 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.170 -9.374 10.248 1.00 0.00 H new ATOM 1010 N GLY A 67 2.625 -15.196 10.382 1.00 0.00 N ATOM 1011 CA GLY A 67 3.253 -16.244 9.580 1.00 0.00 C ATOM 1012 C GLY A 67 2.468 -16.660 8.334 1.00 0.00 C ATOM 1013 O GLY A 67 1.261 -16.907 8.399 1.00 0.00 O ATOM 0 H GLY A 67 2.643 -15.374 11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.241 -15.902 9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.401 -17.122 10.208 1.00 0.00 H new ATOM 1017 N GLU A 68 3.171 -16.708 7.198 1.00 0.00 N ATOM 1018 CA GLU A 68 2.630 -17.200 5.917 1.00 0.00 C ATOM 1019 C GLU A 68 1.738 -16.170 5.191 1.00 0.00 C ATOM 1020 O GLU A 68 1.591 -16.233 3.968 1.00 0.00 O ATOM 1021 CB GLU A 68 1.895 -18.542 6.101 1.00 0.00 C ATOM 1022 CG GLU A 68 1.399 -19.158 4.794 1.00 0.00 C ATOM 1023 CD GLU A 68 1.084 -20.639 4.923 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.059 -20.985 5.540 1.00 0.00 O ATOM 1025 OE2 GLU A 68 1.875 -21.468 4.419 1.00 0.00 O ATOM 0 H GLU A 68 4.143 -16.404 7.136 1.00 0.00 H new ATOM 0 HA GLU A 68 3.491 -17.363 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.564 -19.248 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.045 -18.392 6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.505 -18.629 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.155 -19.018 4.022 1.00 0.00 H new ATOM 1032 N ASP A 69 1.139 -15.228 5.920 1.00 0.00 N ATOM 1033 CA ASP A 69 0.414 -14.125 5.273 1.00 0.00 C ATOM 1034 C ASP A 69 1.383 -13.176 4.551 1.00 0.00 C ATOM 1035 O ASP A 69 1.110 -12.723 3.440 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.433 -13.340 6.280 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.745 -14.031 6.606 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -2.606 -14.138 5.708 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -1.940 -14.440 7.764 1.00 0.00 O ATOM 0 H ASP A 69 1.138 -15.202 6.940 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.256 -14.570 4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.138 -13.201 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.639 -12.348 5.879 1.00 0.00 H new ATOM 1044 N LEU A 70 2.506 -12.871 5.196 1.00 0.00 N ATOM 1045 CA LEU A 70 3.545 -12.030 4.593 1.00 0.00 C ATOM 1046 C LEU A 70 4.726 -12.880 4.104 1.00 0.00 C ATOM 1047 O LEU A 70 5.098 -13.873 4.733 1.00 0.00 O ATOM 1048 CB LEU A 70 4.042 -10.989 5.603 1.00 0.00 C ATOM 1049 CG LEU A 70 5.086 -9.993 5.068 1.00 0.00 C ATOM 1050 CD1 LEU A 70 4.482 -9.092 3.994 1.00 0.00 C ATOM 1051 CD2 LEU A 70 5.665 -9.159 6.206 1.00 0.00 C ATOM 0 H LEU A 70 2.723 -13.193 6.139 1.00 0.00 H new ATOM 0 HA LEU A 70 3.106 -11.519 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.184 -10.427 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.470 -11.513 6.458 1.00 0.00 H new ATOM 0 HG LEU A 70 5.895 -10.564 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.241 -8.398 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.125 -9.703 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.648 -8.531 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.401 -8.461 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.864 -8.603 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.144 -9.816 6.932 1.00 0.00 H new ATOM 1063 N LYS A 71 5.305 -12.483 2.979 1.00 0.00 N ATOM 1064 CA LYS A 71 6.459 -13.180 2.404 1.00 0.00 C ATOM 1065 C LYS A 71 7.304 -12.225 1.555 1.00 0.00 C ATOM 1066 O LYS A 71 6.769 -11.498 0.715 1.00 0.00 O ATOM 1067 CB LYS A 71 5.982 -14.346 1.530 1.00 0.00 C ATOM 1068 CG LYS A 71 7.110 -15.120 0.851 1.00 0.00 C ATOM 1069 CD LYS A 71 6.578 -16.029 -0.254 1.00 0.00 C ATOM 1070 CE LYS A 71 5.561 -17.032 0.273 1.00 0.00 C ATOM 1071 NZ LYS A 71 4.891 -17.764 -0.832 1.00 0.00 N ATOM 0 H LYS A 71 4.995 -11.675 2.439 1.00 0.00 H new ATOM 0 HA LYS A 71 7.071 -13.559 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.403 -15.034 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.309 -13.960 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.832 -14.420 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.640 -15.718 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.118 -15.421 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.409 -16.563 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.059 -17.743 0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.813 -16.512 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.376 -18.580 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.223 -17.129 -1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.605 -18.096 -1.512 1.00 0.00 H new ATOM 1085 N TRP A 72 8.618 -12.230 1.759 1.00 0.00 N ATOM 1086 CA TRP A 72 9.522 -11.411 0.942 1.00 0.00 C ATOM 1087 C TRP A 72 9.755 -12.068 -0.429 1.00 0.00 C ATOM 1088 O TRP A 72 10.872 -12.463 -0.778 1.00 0.00 O ATOM 1089 CB TRP A 72 10.849 -11.177 1.678 1.00 0.00 C ATOM 1090 CG TRP A 72 10.678 -10.430 2.968 1.00 0.00 C ATOM 1091 CD1 TRP A 72 10.573 -10.964 4.220 1.00 0.00 C ATOM 1092 CD2 TRP A 72 10.571 -9.009 3.130 1.00 0.00 C ATOM 1093 NE1 TRP A 72 10.417 -9.965 5.148 1.00 0.00 N ATOM 1094 CE2 TRP A 72 10.411 -8.756 4.505 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.599 -7.928 2.247 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 10.279 -7.467 5.016 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.467 -6.649 2.754 1.00 0.00 C ATOM 1098 CH2 TRP A 72 10.310 -6.428 4.128 1.00 0.00 C ATOM 0 H TRP A 72 9.083 -12.786 2.477 1.00 0.00 H new ATOM 0 HA TRP A 72 9.056 -10.440 0.774 1.00 0.00 H new ATOM 0 HB2 TRP A 72 11.321 -12.139 1.881 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.525 -10.621 1.029 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.608 -12.019 4.447 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.321 -10.101 6.154 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.722 -8.088 1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.157 -7.295 6.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.485 -5.806 2.079 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.211 -5.416 4.493 1.00 0.00 H new ATOM 1109 N GLU A 73 8.674 -12.171 -1.199 1.00 0.00 N ATOM 1110 CA GLU A 73 8.679 -12.859 -2.493 1.00 0.00 C ATOM 1111 C GLU A 73 9.261 -11.973 -3.603 1.00 0.00 C ATOM 1112 O GLU A 73 8.903 -10.802 -3.730 1.00 0.00 O ATOM 1113 CB GLU A 73 7.246 -13.300 -2.841 1.00 0.00 C ATOM 1114 CG GLU A 73 7.097 -13.954 -4.213 1.00 0.00 C ATOM 1115 CD GLU A 73 5.728 -14.591 -4.414 1.00 0.00 C ATOM 1116 OE1 GLU A 73 4.711 -13.863 -4.398 1.00 0.00 O ATOM 1117 OE2 GLU A 73 5.663 -15.828 -4.588 1.00 0.00 O ATOM 0 H GLU A 73 7.767 -11.780 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 73 9.320 -13.737 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.901 -14.000 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.591 -12.430 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.262 -13.205 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.869 -14.714 -4.334 1.00 0.00 H new ATOM 1124 N ALA A 74 10.169 -12.540 -4.394 1.00 0.00 N ATOM 1125 CA ALA A 74 10.801 -11.821 -5.503 1.00 0.00 C ATOM 1126 C ALA A 74 11.120 -12.771 -6.669 1.00 0.00 C ATOM 1127 O ALA A 74 11.104 -13.995 -6.508 1.00 0.00 O ATOM 1128 CB ALA A 74 12.065 -11.113 -5.022 1.00 0.00 C ATOM 0 H ALA A 74 10.487 -13.503 -4.288 1.00 0.00 H new ATOM 0 HA ALA A 74 10.099 -11.071 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.525 -10.583 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.807 -10.402 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.767 -11.849 -4.629 1.00 0.00 H new ATOM 1134 N SER A 75 11.422 -12.202 -7.835 1.00 0.00 N ATOM 1135 CA SER A 75 11.658 -12.990 -9.058 1.00 0.00 C ATOM 1136 C SER A 75 13.049 -12.718 -9.652 1.00 0.00 C ATOM 1137 O SER A 75 13.837 -11.961 -9.084 1.00 0.00 O ATOM 1138 CB SER A 75 10.585 -12.664 -10.109 1.00 0.00 C ATOM 1139 OG SER A 75 9.281 -12.973 -9.636 1.00 0.00 O ATOM 0 H SER A 75 11.511 -11.194 -7.965 1.00 0.00 H new ATOM 0 HA SER A 75 11.605 -14.044 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.638 -11.607 -10.368 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.785 -13.226 -11.021 1.00 0.00 H new ATOM 0 HG SER A 75 8.622 -12.753 -10.327 1.00 0.00 H new ATOM 1145 N ARG A 76 13.342 -13.360 -10.791 1.00 0.00 N ATOM 1146 CA ARG A 76 14.591 -13.144 -11.550 1.00 0.00 C ATOM 1147 C ARG A 76 15.820 -13.807 -10.899 1.00 0.00 C ATOM 1148 O ARG A 76 16.603 -14.470 -11.584 1.00 0.00 O ATOM 1149 CB ARG A 76 14.849 -11.647 -11.789 1.00 0.00 C ATOM 1150 CG ARG A 76 13.839 -10.999 -12.733 1.00 0.00 C ATOM 1151 CD ARG A 76 14.080 -9.503 -12.879 1.00 0.00 C ATOM 1152 NE ARG A 76 13.793 -8.774 -11.643 1.00 0.00 N ATOM 1153 CZ ARG A 76 14.565 -7.856 -11.130 1.00 0.00 C ATOM 1154 NH1 ARG A 76 15.708 -7.574 -11.670 1.00 0.00 N ATOM 1155 NH2 ARG A 76 14.192 -7.228 -10.064 1.00 0.00 N ATOM 0 H ARG A 76 12.720 -14.047 -11.217 1.00 0.00 H new ATOM 0 HA ARG A 76 14.443 -13.633 -12.513 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.827 -11.125 -10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.851 -11.520 -12.199 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.900 -11.474 -13.712 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.830 -11.170 -12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.117 -9.330 -13.168 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.455 -9.113 -13.682 1.00 0.00 H new ATOM 0 HE ARG A 76 12.930 -8.999 -11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.014 -8.072 -12.506 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.302 -6.854 -11.259 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.297 -7.451 -9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.792 -6.509 -9.659 1.00 0.00 H new ATOM 1169 N GLY A 77 16.001 -13.623 -9.594 1.00 0.00 N ATOM 1170 CA GLY A 77 17.139 -14.235 -8.910 1.00 0.00 C ATOM 1171 C GLY A 77 17.404 -13.657 -7.525 1.00 0.00 C ATOM 1172 O GLY A 77 17.834 -14.377 -6.619 1.00 0.00 O ATOM 0 H GLY A 77 15.388 -13.067 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.963 -15.307 -8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.031 -14.109 -9.523 1.00 0.00 H new ATOM 1176 N GLY A 78 17.160 -12.361 -7.358 1.00 0.00 N ATOM 1177 CA GLY A 78 17.388 -11.711 -6.072 1.00 0.00 C ATOM 1178 C GLY A 78 16.298 -10.715 -5.699 1.00 0.00 C ATOM 1179 O GLY A 78 15.136 -10.887 -6.073 1.00 0.00 O ATOM 0 H GLY A 78 16.807 -11.744 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.456 -12.472 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.348 -11.196 -6.098 1.00 0.00 H new ATOM 1183 N ALA A 79 16.682 -9.671 -4.958 1.00 0.00 N ATOM 1184 CA ALA A 79 15.742 -8.644 -4.481 1.00 0.00 C ATOM 1185 C ALA A 79 14.698 -9.226 -3.507 1.00 0.00 C ATOM 1186 O ALA A 79 14.766 -10.398 -3.124 1.00 0.00 O ATOM 1187 CB ALA A 79 15.061 -7.950 -5.661 1.00 0.00 C ATOM 0 H ALA A 79 17.648 -9.512 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 79 16.319 -7.903 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.370 -7.194 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.815 -7.475 -6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.512 -8.686 -6.248 1.00 0.00 H new ATOM 1193 N ARG A 80 13.740 -8.399 -3.095 1.00 0.00 N ATOM 1194 CA ARG A 80 12.683 -8.843 -2.182 1.00 0.00 C ATOM 1195 C ARG A 80 11.464 -7.910 -2.241 1.00 0.00 C ATOM 1196 O ARG A 80 11.607 -6.686 -2.264 1.00 0.00 O ATOM 1197 CB ARG A 80 13.210 -8.911 -0.737 1.00 0.00 C ATOM 1198 CG ARG A 80 13.605 -7.552 -0.162 1.00 0.00 C ATOM 1199 CD ARG A 80 14.020 -7.646 1.302 1.00 0.00 C ATOM 1200 NE ARG A 80 14.224 -6.327 1.904 1.00 0.00 N ATOM 1201 CZ ARG A 80 14.503 -6.128 3.167 1.00 0.00 C ATOM 1202 NH1 ARG A 80 14.658 -7.122 3.982 1.00 0.00 N ATOM 1203 NH2 ARG A 80 14.638 -4.923 3.612 1.00 0.00 N ATOM 0 H ARG A 80 13.671 -7.421 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 80 12.373 -9.838 -2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 80 12.444 -9.356 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.075 -9.574 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.427 -7.137 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 80 12.767 -6.861 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 80 13.255 -8.184 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 80 14.940 -8.226 1.381 1.00 0.00 H new ATOM 0 HE ARG A 80 14.143 -5.510 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 80 14.563 -8.079 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.875 -6.948 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.527 -4.130 2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.855 -4.764 4.596 1.00 0.00 H new ATOM 1217 N PHE A 81 10.268 -8.490 -2.286 1.00 0.00 N ATOM 1218 CA PHE A 81 9.027 -7.713 -2.214 1.00 0.00 C ATOM 1219 C PHE A 81 8.073 -8.324 -1.174 1.00 0.00 C ATOM 1220 O PHE A 81 7.731 -9.505 -1.258 1.00 0.00 O ATOM 1221 CB PHE A 81 8.338 -7.660 -3.589 1.00 0.00 C ATOM 1222 CG PHE A 81 9.190 -7.055 -4.677 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.263 -5.679 -4.836 1.00 0.00 C ATOM 1224 CD2 PHE A 81 9.920 -7.863 -5.539 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.046 -5.124 -5.832 1.00 0.00 C ATOM 1226 CE2 PHE A 81 10.702 -7.313 -6.536 1.00 0.00 C ATOM 1227 CZ PHE A 81 10.765 -5.941 -6.683 1.00 0.00 C ATOM 0 H PHE A 81 10.128 -9.497 -2.372 1.00 0.00 H new ATOM 0 HA PHE A 81 9.279 -6.697 -1.911 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.056 -8.671 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.416 -7.085 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.703 -5.034 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.876 -8.936 -5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.095 -4.051 -5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.263 -7.955 -7.199 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.375 -5.508 -7.462 1.00 0.00 H new ATOM 1237 N PRO A 82 7.639 -7.545 -0.168 1.00 0.00 N ATOM 1238 CA PRO A 82 6.700 -8.040 0.850 1.00 0.00 C ATOM 1239 C PRO A 82 5.285 -8.282 0.285 1.00 0.00 C ATOM 1240 O PRO A 82 4.476 -7.358 0.169 1.00 0.00 O ATOM 1241 CB PRO A 82 6.702 -6.929 1.911 1.00 0.00 C ATOM 1242 CG PRO A 82 7.112 -5.695 1.178 1.00 0.00 C ATOM 1243 CD PRO A 82 8.032 -6.143 0.069 1.00 0.00 C ATOM 0 HA PRO A 82 6.998 -9.011 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.716 -6.811 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.397 -7.157 2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.242 -5.176 0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.619 -4.998 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.905 -5.535 -0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.079 -6.065 0.361 1.00 0.00 H new ATOM 1251 N HIS A 83 5.014 -9.528 -0.104 1.00 0.00 N ATOM 1252 CA HIS A 83 3.699 -9.923 -0.621 1.00 0.00 C ATOM 1253 C HIS A 83 2.763 -10.356 0.516 1.00 0.00 C ATOM 1254 O HIS A 83 3.084 -11.263 1.285 1.00 0.00 O ATOM 1255 CB HIS A 83 3.841 -11.070 -1.633 1.00 0.00 C ATOM 1256 CG HIS A 83 4.469 -10.675 -2.938 1.00 0.00 C ATOM 1257 ND1 HIS A 83 3.979 -11.084 -4.156 1.00 0.00 N ATOM 1258 CD2 HIS A 83 5.566 -9.932 -3.216 1.00 0.00 C ATOM 1259 CE1 HIS A 83 4.740 -10.615 -5.122 1.00 0.00 C ATOM 1260 NE2 HIS A 83 5.714 -9.912 -4.583 1.00 0.00 N ATOM 0 H HIS A 83 5.693 -10.289 -0.071 1.00 0.00 H new ATOM 0 HA HIS A 83 3.266 -9.055 -1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.438 -11.863 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.854 -11.487 -1.831 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.151 -11.664 -4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.207 -9.445 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.591 -10.779 -6.179 1.00 0.00 H new ATOM 1269 N LEU A 84 1.613 -9.698 0.613 1.00 0.00 N ATOM 1270 CA LEU A 84 0.591 -10.045 1.600 1.00 0.00 C ATOM 1271 C LEU A 84 -0.539 -10.858 0.936 1.00 0.00 C ATOM 1272 O LEU A 84 -1.287 -10.341 0.106 1.00 0.00 O ATOM 1273 CB LEU A 84 0.031 -8.762 2.236 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.909 -8.971 3.435 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.190 -9.703 4.566 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.464 -7.635 3.924 1.00 0.00 C ATOM 0 H LEU A 84 1.361 -8.912 0.014 1.00 0.00 H new ATOM 0 HA LEU A 84 1.040 -10.659 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.868 -8.142 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.505 -8.202 1.470 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.745 -9.589 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.874 -9.840 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.149 -10.676 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.669 -9.116 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.127 -7.805 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.641 -6.989 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.021 -7.156 3.119 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.657 -12.132 1.308 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.609 -13.053 0.662 1.00 0.00 C ATOM 1290 C TYR A 85 -3.045 -12.928 1.210 1.00 0.00 C ATOM 1291 O TYR A 85 -3.915 -13.728 0.865 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.115 -14.501 0.812 1.00 0.00 C ATOM 1293 CG TYR A 85 0.188 -14.779 0.079 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.185 -15.214 -1.244 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.419 -14.602 0.705 1.00 0.00 C ATOM 1296 CE1 TYR A 85 1.367 -15.464 -1.918 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.603 -14.849 0.036 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.572 -15.280 -1.275 1.00 0.00 C ATOM 1299 OH TYR A 85 3.753 -15.529 -1.944 1.00 0.00 O ATOM 0 H TYR A 85 -0.107 -12.557 2.054 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.652 -12.774 -0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.981 -14.722 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.883 -15.179 0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.757 -15.359 -1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.449 -14.266 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.346 -15.802 -2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.549 -14.705 0.537 1.00 0.00 H new ATOM 0 HH TYR A 85 3.794 -14.977 -2.752 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.300 -11.925 2.048 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.651 -11.694 2.587 1.00 0.00 C ATOM 1311 C ARG A 86 -5.255 -10.398 2.018 1.00 0.00 C ATOM 1312 O ARG A 86 -4.527 -9.451 1.719 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.622 -11.610 4.127 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.933 -10.354 4.665 1.00 0.00 C ATOM 1315 CD ARG A 86 -4.174 -10.144 6.158 1.00 0.00 C ATOM 1316 NE ARG A 86 -3.532 -11.164 6.989 1.00 0.00 N ATOM 1317 CZ ARG A 86 -3.101 -10.947 8.208 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -3.213 -9.772 8.749 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -2.557 -11.909 8.884 1.00 0.00 N ATOM 0 H ARG A 86 -2.598 -11.259 2.371 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.272 -12.538 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.645 -11.641 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.112 -12.489 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.861 -10.425 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.294 -9.484 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.801 -9.161 6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.247 -10.148 6.352 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.413 -12.098 6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.639 -9.008 8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.875 -9.613 9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.464 -12.836 8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.222 -11.740 9.832 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.594 -10.336 1.852 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.278 -9.085 1.490 1.00 0.00 C ATOM 1335 C PRO A 87 -7.116 -8.030 2.595 1.00 0.00 C ATOM 1336 O PRO A 87 -7.685 -8.162 3.680 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.754 -9.500 1.331 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.726 -10.988 1.187 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.538 -11.459 1.984 1.00 0.00 C ATOM 0 HA PRO A 87 -6.872 -8.631 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.344 -9.199 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.205 -9.028 0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.648 -11.434 1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.633 -11.277 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.798 -11.649 3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.124 -12.385 1.585 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.330 -6.992 2.323 1.00 0.00 N ATOM 1348 CA LEU A 88 -5.949 -6.024 3.355 1.00 0.00 C ATOM 1349 C LEU A 88 -7.172 -5.230 3.837 1.00 0.00 C ATOM 1350 O LEU A 88 -7.667 -4.339 3.149 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.859 -5.077 2.822 1.00 0.00 C ATOM 1352 CG LEU A 88 -3.873 -4.521 3.873 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -2.840 -3.620 3.207 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -4.599 -3.765 4.986 1.00 0.00 C ATOM 0 H LEU A 88 -5.944 -6.797 1.399 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.546 -6.570 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.287 -5.606 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.346 -4.236 2.329 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.364 -5.370 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.152 -3.236 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.283 -4.192 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.345 -2.787 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.871 -3.389 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.151 -2.928 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.293 -4.438 5.490 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.654 -5.566 5.025 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.834 -4.911 5.592 1.00 0.00 C ATOM 1368 C LEU A 89 -8.523 -3.463 5.993 1.00 0.00 C ATOM 1369 O LEU A 89 -7.475 -3.180 6.572 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.344 -5.703 6.805 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.722 -7.168 6.521 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.207 -7.856 7.793 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.780 -7.254 5.420 1.00 0.00 C ATOM 0 H LEU A 89 -7.248 -6.289 5.619 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.612 -4.889 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.576 -5.686 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.217 -5.192 7.211 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.829 -7.687 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.469 -8.890 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.415 -7.836 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.084 -7.334 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.031 -8.299 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.675 -6.715 5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.390 -6.809 4.505 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.440 -2.550 5.687 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.260 -1.133 6.023 1.00 0.00 C ATOM 1387 C VAL A 90 -9.053 -0.946 7.536 1.00 0.00 C ATOM 1388 O VAL A 90 -8.277 -0.092 7.976 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.473 -0.297 5.551 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -10.302 1.181 5.907 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.683 -0.473 4.049 1.00 0.00 C ATOM 0 H VAL A 90 -10.315 -2.761 5.208 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.368 -0.782 5.504 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.359 -0.660 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.171 1.741 5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.208 1.286 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.405 1.570 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.540 0.120 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.792 -0.141 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.867 -1.524 3.828 1.00 0.00 H new ATOM 1401 N SER A 91 -9.728 -1.783 8.322 1.00 0.00 N ATOM 1402 CA SER A 91 -9.608 -1.755 9.790 1.00 0.00 C ATOM 1403 C SER A 91 -8.227 -2.240 10.270 1.00 0.00 C ATOM 1404 O SER A 91 -7.900 -2.128 11.451 1.00 0.00 O ATOM 1405 CB SER A 91 -10.704 -2.626 10.424 1.00 0.00 C ATOM 1406 OG SER A 91 -11.997 -2.228 9.991 1.00 0.00 O ATOM 0 H SER A 91 -10.368 -2.495 7.970 1.00 0.00 H new ATOM 0 HA SER A 91 -9.725 -0.718 10.104 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.537 -3.671 10.163 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.644 -2.555 11.510 1.00 0.00 H new ATOM 0 HG SER A 91 -12.673 -2.801 10.409 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.422 -2.785 9.355 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.086 -3.301 9.697 1.00 0.00 C ATOM 1414 C GLU A 92 -4.963 -2.365 9.196 1.00 0.00 C ATOM 1415 O GLU A 92 -3.787 -2.557 9.517 1.00 0.00 O ATOM 1416 CB GLU A 92 -5.912 -4.723 9.125 1.00 0.00 C ATOM 1417 CG GLU A 92 -4.567 -5.375 9.450 1.00 0.00 C ATOM 1418 CD GLU A 92 -4.559 -6.875 9.198 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -4.374 -7.299 8.038 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -4.735 -7.640 10.170 1.00 0.00 O ATOM 0 H GLU A 92 -7.668 -2.882 8.370 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.007 -3.341 10.783 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.711 -5.356 9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.030 -4.683 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.788 -4.907 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.321 -5.186 10.495 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.327 -1.340 8.427 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.340 -0.381 7.909 1.00 0.00 C ATOM 1429 C VAL A 93 -3.769 0.496 9.038 1.00 0.00 C ATOM 1430 O VAL A 93 -4.475 1.339 9.595 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.954 0.531 6.815 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.912 1.516 6.281 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.544 -0.309 5.682 1.00 0.00 C ATOM 0 H VAL A 93 -6.289 -1.149 8.148 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.533 -0.967 7.468 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.762 1.108 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.365 2.145 5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.551 2.141 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.077 0.964 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.970 0.349 4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.759 -0.918 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.325 -0.958 6.079 1.00 0.00 H new ATOM 1443 N THR A 94 -2.489 0.288 9.369 1.00 0.00 N ATOM 1444 CA THR A 94 -1.814 1.040 10.445 1.00 0.00 C ATOM 1445 C THR A 94 -2.035 2.556 10.319 1.00 0.00 C ATOM 1446 O THR A 94 -2.556 3.196 11.236 1.00 0.00 O ATOM 1447 CB THR A 94 -0.293 0.747 10.471 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.061 -0.660 10.658 1.00 0.00 O ATOM 1449 CG2 THR A 94 0.409 1.533 11.577 1.00 0.00 C ATOM 0 H THR A 94 -1.893 -0.398 8.906 1.00 0.00 H new ATOM 0 HA THR A 94 -2.262 0.702 11.379 1.00 0.00 H new ATOM 0 HB THR A 94 0.120 1.061 9.513 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.456 -0.800 11.479 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.475 1.303 11.566 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.266 2.601 11.411 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.012 1.256 12.544 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.634 3.135 9.190 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.895 4.555 8.934 1.00 0.00 C ATOM 1459 C ARG A 95 -2.106 4.844 7.439 1.00 0.00 C ATOM 1460 O ARG A 95 -1.405 4.308 6.576 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.754 5.430 9.470 1.00 0.00 C ATOM 1462 CG ARG A 95 0.576 5.218 8.762 1.00 0.00 C ATOM 1463 CD ARG A 95 1.634 6.216 9.229 1.00 0.00 C ATOM 1464 NE ARG A 95 1.217 7.598 8.992 1.00 0.00 N ATOM 1465 CZ ARG A 95 1.986 8.643 9.129 1.00 0.00 C ATOM 1466 NH1 ARG A 95 3.223 8.518 9.493 1.00 0.00 N ATOM 1467 NH2 ARG A 95 1.504 9.820 8.904 1.00 0.00 N ATOM 0 H ARG A 95 -1.133 2.653 8.444 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.817 4.802 9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.040 6.478 9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.624 5.228 10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.928 4.203 8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.434 5.316 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.826 6.071 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.571 6.024 8.706 1.00 0.00 H new ATOM 0 HE ARG A 95 0.253 7.756 8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.609 7.592 9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.811 9.345 9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.530 9.927 8.622 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.098 10.643 9.009 1.00 0.00 H new ATOM 1481 N GLU A 96 -3.087 5.692 7.152 1.00 0.00 N ATOM 1482 CA GLU A 96 -3.341 6.182 5.791 1.00 0.00 C ATOM 1483 C GLU A 96 -2.703 7.569 5.591 1.00 0.00 C ATOM 1484 O GLU A 96 -3.038 8.525 6.291 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.858 6.250 5.514 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.658 6.981 6.596 1.00 0.00 C ATOM 1487 CD GLU A 96 -7.059 7.381 6.148 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.928 6.496 6.011 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.297 8.590 5.928 1.00 0.00 O ATOM 0 H GLU A 96 -3.731 6.062 7.851 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.889 5.484 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.020 6.748 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.244 5.236 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.735 6.341 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.113 7.875 6.899 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.771 7.677 4.650 1.00 0.00 N ATOM 1497 CA ALA A 97 -1.069 8.945 4.407 1.00 0.00 C ATOM 1498 C ALA A 97 -1.221 9.416 2.955 1.00 0.00 C ATOM 1499 O ALA A 97 -0.647 8.829 2.040 1.00 0.00 O ATOM 1500 CB ALA A 97 0.408 8.803 4.763 1.00 0.00 C ATOM 0 H ALA A 97 -1.481 6.910 4.043 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.525 9.701 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.919 9.748 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.505 8.537 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.857 8.022 4.149 1.00 0.00 H new ATOM 1506 N ASP A 98 -2.003 10.473 2.748 1.00 0.00 N ATOM 1507 CA ASP A 98 -2.159 11.066 1.416 1.00 0.00 C ATOM 1508 C ASP A 98 -0.928 11.920 1.047 1.00 0.00 C ATOM 1509 O ASP A 98 -0.517 12.807 1.798 1.00 0.00 O ATOM 1510 CB ASP A 98 -3.457 11.887 1.340 1.00 0.00 C ATOM 1511 CG ASP A 98 -3.592 12.901 2.467 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -3.902 12.494 3.608 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -3.404 14.108 2.219 1.00 0.00 O ATOM 0 H ASP A 98 -2.538 10.938 3.481 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.230 10.261 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.494 12.409 0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.310 11.209 1.366 1.00 0.00 H new ATOM 1518 N LEU A 99 -0.341 11.632 -0.113 1.00 0.00 N ATOM 1519 CA LEU A 99 0.925 12.248 -0.531 1.00 0.00 C ATOM 1520 C LEU A 99 0.718 13.622 -1.191 1.00 0.00 C ATOM 1521 O LEU A 99 0.192 13.721 -2.301 1.00 0.00 O ATOM 1522 CB LEU A 99 1.662 11.307 -1.499 1.00 0.00 C ATOM 1523 CG LEU A 99 1.988 9.911 -0.939 1.00 0.00 C ATOM 1524 CD1 LEU A 99 2.607 9.023 -2.019 1.00 0.00 C ATOM 1525 CD2 LEU A 99 2.913 10.015 0.272 1.00 0.00 C ATOM 0 H LEU A 99 -0.723 10.970 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 99 1.524 12.408 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.055 11.188 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.593 11.784 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 99 1.055 9.450 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.829 8.042 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.906 8.914 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.528 9.479 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.130 9.016 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.843 10.502 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.427 10.601 1.052 1.00 0.00 H new ATOM 1537 N ASP A 100 1.153 14.677 -0.504 1.00 0.00 N ATOM 1538 CA ASP A 100 1.066 16.046 -1.030 1.00 0.00 C ATOM 1539 C ASP A 100 2.116 16.324 -2.123 1.00 0.00 C ATOM 1540 O ASP A 100 2.037 17.342 -2.812 1.00 0.00 O ATOM 1541 CB ASP A 100 1.242 17.059 0.106 1.00 0.00 C ATOM 1542 CG ASP A 100 0.131 16.978 1.136 1.00 0.00 C ATOM 1543 OD1 ASP A 100 0.237 16.162 2.072 1.00 0.00 O ATOM 1544 OD2 ASP A 100 -0.858 17.738 1.014 1.00 0.00 O ATOM 0 H ASP A 100 1.572 14.613 0.424 1.00 0.00 H new ATOM 0 HA ASP A 100 0.079 16.150 -1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.200 16.887 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.273 18.066 -0.311 1.00 0.00 H new ATOM 1549 N LEU A 101 3.089 15.417 -2.273 1.00 0.00 N ATOM 1550 CA LEU A 101 4.199 15.589 -3.232 1.00 0.00 C ATOM 1551 C LEU A 101 5.101 16.783 -2.838 1.00 0.00 C ATOM 1552 O LEU A 101 5.009 17.294 -1.723 1.00 0.00 O ATOM 1553 CB LEU A 101 3.664 15.773 -4.667 1.00 0.00 C ATOM 1554 CG LEU A 101 2.751 14.646 -5.193 1.00 0.00 C ATOM 1555 CD1 LEU A 101 2.267 14.959 -6.606 1.00 0.00 C ATOM 1556 CD2 LEU A 101 3.463 13.294 -5.158 1.00 0.00 C ATOM 0 H LEU A 101 3.134 14.548 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 101 4.803 14.682 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.112 16.712 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.514 15.871 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 101 1.884 14.586 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.625 14.152 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.705 15.893 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.125 15.056 -7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.794 12.520 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.356 13.337 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.748 13.059 -4.132 1.00 0.00 H new ATOM 1568 N ASP A 102 5.982 17.209 -3.748 1.00 0.00 N ATOM 1569 CA ASP A 102 6.888 18.338 -3.484 1.00 0.00 C ATOM 1570 C ASP A 102 7.207 19.105 -4.791 1.00 0.00 C ATOM 1571 O ASP A 102 6.620 18.824 -5.839 1.00 0.00 O ATOM 1572 CB ASP A 102 8.174 17.809 -2.822 1.00 0.00 C ATOM 1573 CG ASP A 102 8.912 18.880 -2.038 1.00 0.00 C ATOM 1574 OD1 ASP A 102 8.550 19.118 -0.867 1.00 0.00 O ATOM 1575 OD2 ASP A 102 9.850 19.490 -2.586 1.00 0.00 O ATOM 0 H ASP A 102 6.089 16.792 -4.673 1.00 0.00 H new ATOM 0 HA ASP A 102 6.403 19.041 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.922 16.985 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.834 17.407 -3.590 1.00 0.00 H new ATOM 1580 N ALA A 103 8.134 20.067 -4.729 1.00 0.00 N ATOM 1581 CA ALA A 103 8.532 20.857 -5.907 1.00 0.00 C ATOM 1582 C ALA A 103 9.069 19.973 -7.047 1.00 0.00 C ATOM 1583 O ALA A 103 8.956 20.317 -8.226 1.00 0.00 O ATOM 1584 CB ALA A 103 9.582 21.889 -5.510 1.00 0.00 C ATOM 0 H ALA A 103 8.627 20.321 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 103 7.640 21.361 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.871 22.469 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.169 22.556 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.458 21.381 -5.106 1.00 0.00 H new ATOM 1590 N ASP A 104 9.645 18.829 -6.686 1.00 0.00 N ATOM 1591 CA ASP A 104 10.181 17.876 -7.661 1.00 0.00 C ATOM 1592 C ASP A 104 9.098 16.887 -8.101 1.00 0.00 C ATOM 1593 O ASP A 104 9.326 16.033 -8.955 1.00 0.00 O ATOM 1594 CB ASP A 104 11.354 17.107 -7.045 1.00 0.00 C ATOM 1595 CG ASP A 104 12.405 18.034 -6.469 1.00 0.00 C ATOM 1596 OD1 ASP A 104 12.208 18.530 -5.343 1.00 0.00 O ATOM 1597 OD2 ASP A 104 13.435 18.267 -7.134 1.00 0.00 O ATOM 0 H ASP A 104 9.754 18.535 -5.715 1.00 0.00 H new ATOM 0 HA ASP A 104 10.525 18.432 -8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.983 16.449 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.809 16.472 -7.805 1.00 0.00 H new ATOM 1602 N GLY A 105 7.919 17.002 -7.493 1.00 0.00 N ATOM 1603 CA GLY A 105 6.837 16.069 -7.763 1.00 0.00 C ATOM 1604 C GLY A 105 6.970 14.761 -6.987 1.00 0.00 C ATOM 1605 O GLY A 105 6.071 13.921 -7.005 1.00 0.00 O ATOM 0 H GLY A 105 7.693 17.729 -6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.887 16.540 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.811 15.851 -8.831 1.00 0.00 H new ATOM 1609 N VAL A 106 8.095 14.593 -6.300 1.00 0.00 N ATOM 1610 CA VAL A 106 8.377 13.371 -5.539 1.00 0.00 C ATOM 1611 C VAL A 106 7.799 13.452 -4.115 1.00 0.00 C ATOM 1612 O VAL A 106 7.956 14.467 -3.434 1.00 0.00 O ATOM 1613 CB VAL A 106 9.907 13.115 -5.457 1.00 0.00 C ATOM 1614 CG1 VAL A 106 10.213 11.823 -4.697 1.00 0.00 C ATOM 1615 CG2 VAL A 106 10.525 13.085 -6.855 1.00 0.00 C ATOM 0 H VAL A 106 8.836 15.293 -6.252 1.00 0.00 H new ATOM 0 HA VAL A 106 7.899 12.545 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 106 10.356 13.939 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.292 11.671 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.818 11.895 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.747 10.981 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.597 12.905 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.065 12.288 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 106 10.354 14.041 -7.349 1.00 0.00 H new ATOM 1625 N PRO A 107 7.106 12.391 -3.647 1.00 0.00 N ATOM 1626 CA PRO A 107 6.582 12.342 -2.272 1.00 0.00 C ATOM 1627 C PRO A 107 7.704 12.302 -1.219 1.00 0.00 C ATOM 1628 O PRO A 107 8.517 11.374 -1.188 1.00 0.00 O ATOM 1629 CB PRO A 107 5.753 11.048 -2.247 1.00 0.00 C ATOM 1630 CG PRO A 107 6.318 10.211 -3.344 1.00 0.00 C ATOM 1631 CD PRO A 107 6.767 11.173 -4.411 1.00 0.00 C ATOM 0 HA PRO A 107 6.001 13.230 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.835 10.545 -1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.695 11.253 -2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.153 9.609 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.570 9.519 -3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.627 10.791 -4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.979 11.362 -5.140 1.00 0.00 H new ATOM 1639 N GLN A 108 7.744 13.319 -0.361 1.00 0.00 N ATOM 1640 CA GLN A 108 8.783 13.424 0.667 1.00 0.00 C ATOM 1641 C GLN A 108 8.675 12.308 1.717 1.00 0.00 C ATOM 1642 O GLN A 108 7.871 12.380 2.649 1.00 0.00 O ATOM 1643 CB GLN A 108 8.724 14.802 1.340 1.00 0.00 C ATOM 1644 CG GLN A 108 9.134 15.945 0.415 1.00 0.00 C ATOM 1645 CD GLN A 108 10.587 15.854 -0.028 1.00 0.00 C ATOM 1646 OE1 GLN A 108 11.441 15.354 0.701 1.00 0.00 O ATOM 1647 NE2 GLN A 108 10.878 16.322 -1.227 1.00 0.00 N ATOM 0 H GLN A 108 7.069 14.084 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 108 9.747 13.306 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.710 14.980 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.375 14.800 2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.490 15.943 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.974 16.895 0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.145 16.731 -1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.836 16.275 -1.574 1.00 0.00 H new ATOM 1656 N LEU A 109 9.480 11.264 1.543 1.00 0.00 N ATOM 1657 CA LEU A 109 9.526 10.149 2.494 1.00 0.00 C ATOM 1658 C LEU A 109 10.727 10.256 3.447 1.00 0.00 C ATOM 1659 O LEU A 109 10.749 9.594 4.484 1.00 0.00 O ATOM 1660 CB LEU A 109 9.541 8.799 1.751 1.00 0.00 C ATOM 1661 CG LEU A 109 8.164 8.126 1.591 1.00 0.00 C ATOM 1662 CD1 LEU A 109 7.169 9.062 0.909 1.00 0.00 C ATOM 1663 CD2 LEU A 109 8.290 6.814 0.821 1.00 0.00 C ATOM 0 H LEU A 109 10.113 11.163 0.750 1.00 0.00 H new ATOM 0 HA LEU A 109 8.622 10.204 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.971 8.951 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.202 8.116 2.284 1.00 0.00 H new ATOM 0 HG LEU A 109 7.783 7.902 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.207 8.560 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.048 9.964 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.541 9.331 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.306 6.356 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.702 7.011 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.952 6.137 1.361 1.00 0.00 H new ATOM 1675 N GLY A 110 11.707 11.097 3.107 1.00 0.00 N ATOM 1676 CA GLY A 110 12.873 11.296 3.975 1.00 0.00 C ATOM 1677 C GLY A 110 12.488 11.679 5.404 1.00 0.00 C ATOM 1678 O GLY A 110 13.170 11.318 6.366 1.00 0.00 O ATOM 0 H GLY A 110 11.719 11.646 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.465 10.381 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.506 12.076 3.552 1.00 0.00 H new ATOM 1682 N ASP A 111 11.391 12.419 5.529 1.00 0.00 N ATOM 1683 CA ASP A 111 10.816 12.773 6.830 1.00 0.00 C ATOM 1684 C ASP A 111 10.226 11.539 7.547 1.00 0.00 C ATOM 1685 O ASP A 111 10.335 11.402 8.770 1.00 0.00 O ATOM 1686 CB ASP A 111 9.726 13.833 6.620 1.00 0.00 C ATOM 1687 CG ASP A 111 9.022 14.228 7.906 1.00 0.00 C ATOM 1688 OD1 ASP A 111 9.492 15.160 8.590 1.00 0.00 O ATOM 1689 OD2 ASP A 111 7.989 13.609 8.237 1.00 0.00 O ATOM 0 H ASP A 111 10.873 12.792 4.734 1.00 0.00 H new ATOM 0 HA ASP A 111 11.609 13.169 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.172 14.720 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.990 13.453 5.912 1.00 0.00 H new ATOM 1694 N HIS A 112 9.621 10.636 6.773 1.00 0.00 N ATOM 1695 CA HIS A 112 8.895 9.481 7.329 1.00 0.00 C ATOM 1696 C HIS A 112 9.820 8.287 7.619 1.00 0.00 C ATOM 1697 O HIS A 112 9.564 7.500 8.533 1.00 0.00 O ATOM 1698 CB HIS A 112 7.789 9.046 6.361 1.00 0.00 C ATOM 1699 CG HIS A 112 6.787 10.120 6.069 1.00 0.00 C ATOM 1700 ND1 HIS A 112 6.087 10.793 7.049 1.00 0.00 N ATOM 1701 CD2 HIS A 112 6.374 10.645 4.892 1.00 0.00 C ATOM 1702 CE1 HIS A 112 5.288 11.680 6.488 1.00 0.00 C ATOM 1703 NE2 HIS A 112 5.444 11.611 5.184 1.00 0.00 N ATOM 0 H HIS A 112 9.617 10.679 5.754 1.00 0.00 H new ATOM 0 HA HIS A 112 8.464 9.800 8.278 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.244 8.722 5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.271 8.183 6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.713 10.358 3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.620 12.349 7.010 1.00 0.00 H new ATOM 0 HE2 HIS A 112 4.952 12.184 4.499 1.00 0.00 H new ATOM 1712 N LEU A 113 10.889 8.156 6.842 1.00 0.00 N ATOM 1713 CA LEU A 113 11.802 7.015 6.967 1.00 0.00 C ATOM 1714 C LEU A 113 12.934 7.303 7.967 1.00 0.00 C ATOM 1715 O LEU A 113 13.113 8.436 8.416 1.00 0.00 O ATOM 1716 CB LEU A 113 12.388 6.657 5.592 1.00 0.00 C ATOM 1717 CG LEU A 113 11.359 6.455 4.460 1.00 0.00 C ATOM 1718 CD1 LEU A 113 12.048 5.999 3.175 1.00 0.00 C ATOM 1719 CD2 LEU A 113 10.270 5.466 4.873 1.00 0.00 C ATOM 0 H LEU A 113 11.149 8.824 6.117 1.00 0.00 H new ATOM 0 HA LEU A 113 11.230 6.169 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.078 7.447 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.974 5.743 5.693 1.00 0.00 H new ATOM 0 HG LEU A 113 10.881 7.416 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.303 5.863 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.770 6.753 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.563 5.055 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.560 5.344 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.723 4.503 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.749 5.845 5.752 1.00 0.00 H new