USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 29 THR OG1 : rot 88:sc= 1.16 USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0412 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -43:sc= 0.312 USER MOD Single : A 16 GLN : amide:sc= -1.33 K(o=-1.3,f=-6.1!) USER MOD Single : A 20 MET CE :methyl -143:sc= -1.33 (180deg=-5.25!) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0062) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 178:sc= -3 USER MOD Single : A 32 CYS SG : rot 84:sc= 0.148 USER MOD Single : A 33 LYS NZ :NH3+ -103:sc= 0.242 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.39) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.105 K(o=0.11,f=-1.9) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -53:sc= 1.18 USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= -0.0308 (180deg=-0.374) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.322 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -90:sc= -2.89 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 138:sc= -0.0194 USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0.243 (180deg=0.239) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -15:sc= -1.64! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -19:sc= 2.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.824 8.207 -3.692 1.00 0.00 N ATOM 2 CA GLY A 1 -27.087 6.769 -3.411 1.00 0.00 C ATOM 3 C GLY A 1 -26.184 5.849 -4.209 1.00 0.00 C ATOM 4 O GLY A 1 -25.620 6.251 -5.226 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.367 8.644 -2.866 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.199 8.290 -4.519 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.723 8.693 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.947 6.578 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.128 6.541 -3.641 1.00 0.00 H new ATOM 10 N ILE A 2 -26.045 4.611 -3.745 1.00 0.00 N ATOM 11 CA ILE A 2 -25.203 3.631 -4.421 1.00 0.00 C ATOM 12 C ILE A 2 -25.989 2.879 -5.494 1.00 0.00 C ATOM 13 O ILE A 2 -27.202 2.707 -5.380 1.00 0.00 O ATOM 14 CB ILE A 2 -24.614 2.614 -3.426 1.00 0.00 C ATOM 15 CG1 ILE A 2 -25.732 1.928 -2.640 1.00 0.00 C ATOM 16 CG2 ILE A 2 -23.639 3.302 -2.482 1.00 0.00 C ATOM 17 CD1 ILE A 2 -25.421 0.494 -2.274 1.00 0.00 C ATOM 0 H ILE A 2 -26.505 4.263 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 2 -24.388 4.183 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 2 -24.072 1.852 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -25.924 2.494 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -26.648 1.953 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -23.231 2.571 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.827 3.747 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -24.160 4.082 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -26.258 0.071 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -25.258 -0.086 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -24.523 0.462 -1.657 1.00 0.00 H new ATOM 29 N PRO A 3 -25.301 2.417 -6.553 1.00 0.00 N ATOM 30 CA PRO A 3 -25.939 1.679 -7.647 1.00 0.00 C ATOM 31 C PRO A 3 -26.401 0.290 -7.218 1.00 0.00 C ATOM 32 O PRO A 3 -25.661 -0.444 -6.565 1.00 0.00 O ATOM 33 CB PRO A 3 -24.834 1.574 -8.700 1.00 0.00 C ATOM 34 CG PRO A 3 -23.564 1.663 -7.925 1.00 0.00 C ATOM 35 CD PRO A 3 -23.851 2.579 -6.766 1.00 0.00 C ATOM 0 HA PRO A 3 -26.839 2.180 -8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -24.898 0.635 -9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -24.908 2.377 -9.433 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -23.249 0.679 -7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -22.756 2.056 -8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -23.281 2.297 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -23.592 3.612 -6.997 1.00 0.00 H new ATOM 43 N GLU A 4 -27.627 -0.061 -7.590 1.00 0.00 N ATOM 44 CA GLU A 4 -28.188 -1.361 -7.244 1.00 0.00 C ATOM 45 C GLU A 4 -28.399 -2.214 -8.491 1.00 0.00 C ATOM 46 O GLU A 4 -29.407 -2.907 -8.618 1.00 0.00 O ATOM 47 CB GLU A 4 -29.514 -1.186 -6.498 1.00 0.00 C ATOM 48 CG GLU A 4 -29.708 -2.175 -5.361 1.00 0.00 C ATOM 49 CD GLU A 4 -29.848 -3.605 -5.849 1.00 0.00 C ATOM 50 OE1 GLU A 4 -30.836 -3.895 -6.556 1.00 0.00 O ATOM 51 OE2 GLU A 4 -28.971 -4.431 -5.525 1.00 0.00 O ATOM 0 H GLU A 4 -28.251 0.537 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 4 -27.479 -1.873 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -29.566 -0.173 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -30.336 -1.293 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -28.861 -2.109 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -30.597 -1.900 -4.793 1.00 0.00 H new ATOM 58 N PHE A 5 -27.440 -2.156 -9.410 1.00 0.00 N ATOM 59 CA PHE A 5 -27.519 -2.922 -10.647 1.00 0.00 C ATOM 60 C PHE A 5 -26.239 -3.721 -10.876 1.00 0.00 C ATOM 61 O PHE A 5 -25.175 -3.151 -11.116 1.00 0.00 O ATOM 62 CB PHE A 5 -27.771 -1.990 -11.834 1.00 0.00 C ATOM 63 CG PHE A 5 -29.212 -1.596 -11.991 1.00 0.00 C ATOM 64 CD1 PHE A 5 -30.107 -2.436 -12.633 1.00 0.00 C ATOM 65 CD2 PHE A 5 -29.670 -0.385 -11.498 1.00 0.00 C ATOM 66 CE1 PHE A 5 -31.433 -2.076 -12.779 1.00 0.00 C ATOM 67 CE2 PHE A 5 -30.996 -0.020 -11.642 1.00 0.00 C ATOM 68 CZ PHE A 5 -31.878 -0.866 -12.284 1.00 0.00 C ATOM 0 H PHE A 5 -26.599 -1.586 -9.320 1.00 0.00 H new ATOM 0 HA PHE A 5 -28.351 -3.621 -10.559 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -27.168 -1.090 -11.714 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -27.435 -2.480 -12.748 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -29.765 -3.383 -13.024 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -28.984 0.281 -10.996 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -32.121 -2.741 -13.280 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -31.341 0.926 -11.252 1.00 0.00 H new ATOM 0 HZ PHE A 5 -32.914 -0.582 -12.399 1.00 0.00 H new ATOM 78 N LYS A 6 -26.352 -5.043 -10.801 1.00 0.00 N ATOM 79 CA LYS A 6 -25.204 -5.920 -11.001 1.00 0.00 C ATOM 80 C LYS A 6 -25.116 -6.378 -12.453 1.00 0.00 C ATOM 81 O LYS A 6 -26.134 -6.635 -13.096 1.00 0.00 O ATOM 82 CB LYS A 6 -25.297 -7.136 -10.075 1.00 0.00 C ATOM 83 CG LYS A 6 -23.973 -7.860 -9.888 1.00 0.00 C ATOM 84 CD LYS A 6 -24.075 -9.326 -10.279 1.00 0.00 C ATOM 85 CE LYS A 6 -23.304 -10.215 -9.319 1.00 0.00 C ATOM 86 NZ LYS A 6 -24.007 -11.503 -9.067 1.00 0.00 N ATOM 0 H LYS A 6 -27.226 -5.530 -10.603 1.00 0.00 H new ATOM 0 HA LYS A 6 -24.302 -5.357 -10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -25.666 -6.814 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -26.030 -7.835 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.205 -7.375 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.659 -7.782 -8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -25.122 -9.627 -10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -23.690 -9.461 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.313 -10.416 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.159 -9.690 -8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -23.448 -12.080 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -24.942 -11.313 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.123 -12.017 -9.964 1.00 0.00 H new ATOM 100 N GLN A 7 -23.893 -6.479 -12.963 1.00 0.00 N ATOM 101 CA GLN A 7 -23.673 -6.906 -14.341 1.00 0.00 C ATOM 102 C GLN A 7 -22.337 -7.628 -14.479 1.00 0.00 C ATOM 103 O GLN A 7 -22.279 -8.763 -14.954 1.00 0.00 O ATOM 104 CB GLN A 7 -23.718 -5.700 -15.284 1.00 0.00 C ATOM 105 CG GLN A 7 -24.816 -5.789 -16.331 1.00 0.00 C ATOM 106 CD GLN A 7 -24.459 -6.718 -17.473 1.00 0.00 C ATOM 107 OE1 GLN A 7 -23.495 -6.485 -18.202 1.00 0.00 O ATOM 108 NE2 GLN A 7 -25.237 -7.782 -17.637 1.00 0.00 N ATOM 0 H GLN A 7 -23.040 -6.271 -12.444 1.00 0.00 H new ATOM 0 HA GLN A 7 -24.469 -7.599 -14.613 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -23.861 -4.794 -14.695 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -22.755 -5.605 -15.786 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -25.735 -6.136 -15.859 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -25.017 -4.793 -16.727 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -26.026 -7.938 -17.010 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -25.045 -8.443 -18.390 1.00 0.00 H new ATOM 117 N LYS A 8 -21.263 -6.963 -14.060 1.00 0.00 N ATOM 118 CA LYS A 8 -19.927 -7.543 -14.136 1.00 0.00 C ATOM 119 C LYS A 8 -19.334 -7.727 -12.742 1.00 0.00 C ATOM 120 O LYS A 8 -19.969 -7.406 -11.738 1.00 0.00 O ATOM 121 CB LYS A 8 -19.011 -6.653 -14.983 1.00 0.00 C ATOM 122 CG LYS A 8 -18.284 -7.406 -16.085 1.00 0.00 C ATOM 123 CD LYS A 8 -16.931 -6.781 -16.385 1.00 0.00 C ATOM 124 CE LYS A 8 -16.187 -7.554 -17.461 1.00 0.00 C ATOM 125 NZ LYS A 8 -14.776 -7.098 -17.599 1.00 0.00 N ATOM 0 H LYS A 8 -21.293 -6.023 -13.665 1.00 0.00 H new ATOM 0 HA LYS A 8 -20.007 -8.522 -14.607 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.604 -5.855 -15.430 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.276 -6.178 -14.333 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.148 -8.446 -15.789 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.893 -7.409 -16.989 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.069 -5.749 -16.707 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.332 -6.754 -15.475 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.203 -8.617 -17.221 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.702 -7.435 -18.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.304 -7.650 -18.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.760 -6.090 -17.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.277 -7.235 -16.697 1.00 0.00 H new ATOM 139 N ALA A 9 -18.112 -8.248 -12.689 1.00 0.00 N ATOM 140 CA ALA A 9 -17.434 -8.475 -11.419 1.00 0.00 C ATOM 141 C ALA A 9 -18.224 -9.437 -10.539 1.00 0.00 C ATOM 142 O ALA A 9 -19.384 -9.742 -10.821 1.00 0.00 O ATOM 143 CB ALA A 9 -17.213 -7.155 -10.695 1.00 0.00 C ATOM 0 H ALA A 9 -17.572 -8.520 -13.510 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.465 -8.928 -11.629 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.706 -7.340 -9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.600 -6.499 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.175 -6.679 -10.504 1.00 0.00 H new ATOM 149 N LEU A 10 -17.591 -9.911 -9.472 1.00 0.00 N ATOM 150 CA LEU A 10 -18.236 -10.839 -8.550 1.00 0.00 C ATOM 151 C LEU A 10 -18.864 -10.094 -7.376 1.00 0.00 C ATOM 152 O LEU A 10 -20.085 -10.066 -7.228 1.00 0.00 O ATOM 153 CB LEU A 10 -17.224 -11.865 -8.034 1.00 0.00 C ATOM 154 CG LEU A 10 -17.830 -13.046 -7.276 1.00 0.00 C ATOM 155 CD1 LEU A 10 -18.637 -13.929 -8.217 1.00 0.00 C ATOM 156 CD2 LEU A 10 -16.737 -13.854 -6.590 1.00 0.00 C ATOM 0 H LEU A 10 -16.632 -9.668 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.026 -11.358 -9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.655 -12.249 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.516 -11.357 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.503 -12.656 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.060 -14.764 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -19.442 -13.345 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.987 -14.311 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -17.185 -14.691 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.041 -14.233 -7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.202 -13.217 -5.885 1.00 0.00 H new ATOM 168 N VAL A 11 -18.020 -9.489 -6.546 1.00 0.00 N ATOM 169 CA VAL A 11 -18.492 -8.744 -5.386 1.00 0.00 C ATOM 170 C VAL A 11 -17.475 -7.692 -4.958 1.00 0.00 C ATOM 171 O VAL A 11 -16.469 -8.008 -4.321 1.00 0.00 O ATOM 172 CB VAL A 11 -18.780 -9.678 -4.197 1.00 0.00 C ATOM 173 CG1 VAL A 11 -20.073 -10.446 -4.420 1.00 0.00 C ATOM 174 CG2 VAL A 11 -17.616 -10.633 -3.974 1.00 0.00 C ATOM 0 H VAL A 11 -17.006 -9.501 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.418 -8.251 -5.682 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.898 -9.068 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -20.259 -11.101 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.900 -9.744 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.989 -11.045 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.837 -11.286 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.464 -11.237 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.712 -10.062 -3.764 1.00 0.00 H new ATOM 184 N ALA A 12 -17.742 -6.438 -5.311 1.00 0.00 N ATOM 185 CA ALA A 12 -16.850 -5.339 -4.963 1.00 0.00 C ATOM 186 C ALA A 12 -17.506 -3.991 -5.243 1.00 0.00 C ATOM 187 O ALA A 12 -17.416 -3.465 -6.351 1.00 0.00 O ATOM 188 CB ALA A 12 -15.541 -5.459 -5.731 1.00 0.00 C ATOM 0 H ALA A 12 -18.569 -6.159 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.640 -5.398 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -14.884 -4.632 -5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.057 -6.403 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -15.743 -5.428 -6.802 1.00 0.00 H new ATOM 194 N LYS A 13 -18.166 -3.439 -4.230 1.00 0.00 N ATOM 195 CA LYS A 13 -18.838 -2.153 -4.369 1.00 0.00 C ATOM 196 C LYS A 13 -18.891 -1.415 -3.034 1.00 0.00 C ATOM 197 O LYS A 13 -18.593 -0.223 -2.961 1.00 0.00 O ATOM 198 CB LYS A 13 -20.256 -2.351 -4.910 1.00 0.00 C ATOM 199 CG LYS A 13 -20.300 -2.659 -6.398 1.00 0.00 C ATOM 200 CD LYS A 13 -19.864 -1.462 -7.229 1.00 0.00 C ATOM 201 CE LYS A 13 -18.996 -1.885 -8.401 1.00 0.00 C ATOM 202 NZ LYS A 13 -19.029 -0.886 -9.505 1.00 0.00 N ATOM 0 H LYS A 13 -18.250 -3.862 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 13 -18.266 -1.549 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.734 -3.165 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.839 -1.451 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.652 -3.508 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -21.312 -2.950 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.743 -0.934 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.313 -0.763 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.969 -2.018 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.336 -2.851 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.424 -1.211 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.006 -0.777 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.680 0.029 -9.155 1.00 0.00 H new ATOM 216 N VAL A 14 -19.272 -2.130 -1.981 1.00 0.00 N ATOM 217 CA VAL A 14 -19.365 -1.539 -0.651 1.00 0.00 C ATOM 218 C VAL A 14 -18.774 -2.462 0.409 1.00 0.00 C ATOM 219 O VAL A 14 -18.956 -3.678 0.361 1.00 0.00 O ATOM 220 CB VAL A 14 -20.824 -1.221 -0.279 1.00 0.00 C ATOM 221 CG1 VAL A 14 -21.386 -0.140 -1.190 1.00 0.00 C ATOM 222 CG2 VAL A 14 -21.678 -2.478 -0.341 1.00 0.00 C ATOM 0 H VAL A 14 -19.521 -3.118 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 14 -18.792 -0.612 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 14 -20.844 -0.846 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -22.418 0.071 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.790 0.767 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -21.352 -0.482 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.706 -2.233 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.652 -2.886 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.288 -3.217 0.359 1.00 0.00 H new ATOM 232 N SER A 15 -18.069 -1.871 1.370 1.00 0.00 N ATOM 233 CA SER A 15 -17.449 -2.631 2.453 1.00 0.00 C ATOM 234 C SER A 15 -16.274 -3.472 1.953 1.00 0.00 C ATOM 235 O SER A 15 -15.731 -4.292 2.693 1.00 0.00 O ATOM 236 CB SER A 15 -18.483 -3.535 3.130 1.00 0.00 C ATOM 237 OG SER A 15 -18.010 -4.005 4.380 1.00 0.00 O ATOM 0 H SER A 15 -17.912 -0.864 1.421 1.00 0.00 H new ATOM 0 HA SER A 15 -17.066 -1.913 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 15 -19.413 -2.985 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.710 -4.382 2.482 1.00 0.00 H new ATOM 0 HG SER A 15 -17.073 -4.280 4.293 1.00 0.00 H new ATOM 243 N GLN A 16 -15.882 -3.267 0.697 1.00 0.00 N ATOM 244 CA GLN A 16 -14.771 -4.011 0.117 1.00 0.00 C ATOM 245 C GLN A 16 -13.456 -3.263 0.313 1.00 0.00 C ATOM 246 O GLN A 16 -12.454 -3.844 0.732 1.00 0.00 O ATOM 247 CB GLN A 16 -15.017 -4.263 -1.372 1.00 0.00 C ATOM 248 CG GLN A 16 -15.145 -5.736 -1.726 1.00 0.00 C ATOM 249 CD GLN A 16 -16.470 -6.328 -1.287 1.00 0.00 C ATOM 250 OE1 GLN A 16 -17.418 -6.403 -2.069 1.00 0.00 O ATOM 251 NE2 GLN A 16 -16.544 -6.752 -0.030 1.00 0.00 N ATOM 0 H GLN A 16 -16.317 -2.594 0.065 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.701 -4.970 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.927 -3.745 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.198 -3.830 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.036 -5.858 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.331 -6.290 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.734 -6.671 0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.411 -7.159 0.321 1.00 0.00 H new ATOM 260 N ARG A 17 -13.466 -1.971 0.002 1.00 0.00 N ATOM 261 CA ARG A 17 -12.277 -1.140 0.143 1.00 0.00 C ATOM 262 C ARG A 17 -11.908 -0.956 1.613 1.00 0.00 C ATOM 263 O ARG A 17 -10.732 -0.860 1.961 1.00 0.00 O ATOM 264 CB ARG A 17 -12.501 0.222 -0.518 1.00 0.00 C ATOM 265 CG ARG A 17 -11.446 0.577 -1.553 1.00 0.00 C ATOM 266 CD ARG A 17 -12.034 1.398 -2.690 1.00 0.00 C ATOM 267 NE ARG A 17 -12.916 0.603 -3.540 1.00 0.00 N ATOM 268 CZ ARG A 17 -13.285 0.963 -4.767 1.00 0.00 C ATOM 269 NH1 ARG A 17 -12.851 2.104 -5.291 1.00 0.00 N ATOM 270 NH2 ARG A 17 -14.091 0.183 -5.474 1.00 0.00 N ATOM 0 H ARG A 17 -14.286 -1.477 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.450 -1.645 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.482 0.229 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.516 0.993 0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.642 1.137 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.005 -0.336 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.590 2.241 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.226 1.813 -3.293 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.270 -0.280 -3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.232 2.709 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.137 2.375 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.429 -0.694 -5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.373 0.460 -6.414 1.00 0.00 H new ATOM 284 N GLU A 18 -12.925 -0.906 2.470 1.00 0.00 N ATOM 285 CA GLU A 18 -12.708 -0.732 3.902 1.00 0.00 C ATOM 286 C GLU A 18 -11.831 -1.847 4.462 1.00 0.00 C ATOM 287 O GLU A 18 -10.935 -1.599 5.270 1.00 0.00 O ATOM 288 CB GLU A 18 -14.048 -0.700 4.640 1.00 0.00 C ATOM 289 CG GLU A 18 -14.868 0.547 4.354 1.00 0.00 C ATOM 290 CD GLU A 18 -16.311 0.411 4.801 1.00 0.00 C ATOM 291 OE1 GLU A 18 -16.568 0.512 6.018 1.00 0.00 O ATOM 292 OE2 GLU A 18 -17.183 0.201 3.933 1.00 0.00 O ATOM 0 H GLU A 18 -13.905 -0.983 2.198 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.194 0.217 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.629 -1.579 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.865 -0.767 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.414 1.400 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.841 0.758 3.285 1.00 0.00 H new ATOM 299 N GLU A 19 -12.094 -3.076 4.030 1.00 0.00 N ATOM 300 CA GLU A 19 -11.327 -4.229 4.488 1.00 0.00 C ATOM 301 C GLU A 19 -9.992 -4.321 3.756 1.00 0.00 C ATOM 302 O GLU A 19 -9.008 -4.822 4.299 1.00 0.00 O ATOM 303 CB GLU A 19 -12.127 -5.516 4.278 1.00 0.00 C ATOM 304 CG GLU A 19 -13.300 -5.667 5.233 1.00 0.00 C ATOM 305 CD GLU A 19 -13.437 -7.077 5.770 1.00 0.00 C ATOM 306 OE1 GLU A 19 -13.743 -7.990 4.973 1.00 0.00 O ATOM 307 OE2 GLU A 19 -13.239 -7.271 6.988 1.00 0.00 O ATOM 0 H GLU A 19 -12.833 -3.299 3.363 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.129 -4.102 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.498 -5.540 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.461 -6.371 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.177 -4.975 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.220 -5.387 4.720 1.00 0.00 H new ATOM 314 N MET A 20 -9.966 -3.835 2.519 1.00 0.00 N ATOM 315 CA MET A 20 -8.754 -3.863 1.710 1.00 0.00 C ATOM 316 C MET A 20 -7.677 -2.962 2.308 1.00 0.00 C ATOM 317 O MET A 20 -6.521 -3.364 2.441 1.00 0.00 O ATOM 318 CB MET A 20 -9.065 -3.427 0.277 1.00 0.00 C ATOM 319 CG MET A 20 -9.695 -4.523 -0.568 1.00 0.00 C ATOM 320 SD MET A 20 -8.623 -5.960 -0.752 1.00 0.00 S ATOM 321 CE MET A 20 -7.200 -5.221 -1.551 1.00 0.00 C ATOM 0 H MET A 20 -10.772 -3.417 2.055 1.00 0.00 H new ATOM 0 HA MET A 20 -8.378 -4.886 1.698 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.737 -2.569 0.305 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.144 -3.095 -0.201 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.636 -4.832 -0.112 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.934 -4.124 -1.554 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.790 -5.918 -2.282 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.502 -4.303 -2.055 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.441 -4.991 -0.803 1.00 0.00 H new ATOM 331 N VAL A 21 -8.061 -1.738 2.663 1.00 0.00 N ATOM 332 CA VAL A 21 -7.124 -0.785 3.242 1.00 0.00 C ATOM 333 C VAL A 21 -6.623 -1.258 4.603 1.00 0.00 C ATOM 334 O VAL A 21 -5.434 -1.165 4.907 1.00 0.00 O ATOM 335 CB VAL A 21 -7.755 0.614 3.389 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.355 1.067 2.069 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.806 0.627 4.490 1.00 0.00 C ATOM 0 H VAL A 21 -9.013 -1.386 2.559 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.281 -0.719 2.555 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.968 1.314 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.796 2.056 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.574 1.109 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.126 0.362 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.235 1.626 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.594 -0.087 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.343 0.352 5.438 1.00 0.00 H new ATOM 347 N LYS A 22 -7.541 -1.766 5.419 1.00 0.00 N ATOM 348 CA LYS A 22 -7.189 -2.253 6.746 1.00 0.00 C ATOM 349 C LYS A 22 -6.159 -3.374 6.655 1.00 0.00 C ATOM 350 O LYS A 22 -5.199 -3.417 7.425 1.00 0.00 O ATOM 351 CB LYS A 22 -8.437 -2.745 7.480 1.00 0.00 C ATOM 352 CG LYS A 22 -9.519 -1.686 7.619 1.00 0.00 C ATOM 353 CD LYS A 22 -9.475 -1.020 8.987 1.00 0.00 C ATOM 354 CE LYS A 22 -9.394 0.494 8.869 1.00 0.00 C ATOM 355 NZ LYS A 22 -8.043 0.946 8.436 1.00 0.00 N ATOM 0 H LYS A 22 -8.530 -1.851 5.185 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.752 -1.427 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.847 -3.603 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.151 -3.093 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.394 -0.932 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.497 -2.142 7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.364 -1.294 9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.614 -1.389 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.140 0.843 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.637 0.947 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.039 1.981 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.338 0.665 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.807 0.508 7.523 1.00 0.00 H new ATOM 369 N LYS A 23 -6.365 -4.279 5.703 1.00 0.00 N ATOM 370 CA LYS A 23 -5.457 -5.400 5.502 1.00 0.00 C ATOM 371 C LYS A 23 -4.039 -4.909 5.233 1.00 0.00 C ATOM 372 O LYS A 23 -3.065 -5.584 5.566 1.00 0.00 O ATOM 373 CB LYS A 23 -5.937 -6.271 4.340 1.00 0.00 C ATOM 374 CG LYS A 23 -5.692 -7.757 4.549 1.00 0.00 C ATOM 375 CD LYS A 23 -6.309 -8.584 3.432 1.00 0.00 C ATOM 376 CE LYS A 23 -5.271 -8.991 2.399 1.00 0.00 C ATOM 377 NZ LYS A 23 -5.795 -8.880 1.010 1.00 0.00 N ATOM 0 H LYS A 23 -7.155 -4.256 5.058 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.449 -5.997 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.004 -6.105 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.433 -5.953 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.620 -7.947 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.112 -8.065 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.774 -9.476 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.100 -8.011 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.388 -8.361 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.955 -10.017 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.056 -9.167 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.623 -9.500 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.073 -7.896 0.821 1.00 0.00 H new ATOM 391 N CYS A 24 -3.930 -3.729 4.631 1.00 0.00 N ATOM 392 CA CYS A 24 -2.629 -3.150 4.320 1.00 0.00 C ATOM 393 C CYS A 24 -1.911 -2.719 5.594 1.00 0.00 C ATOM 394 O CYS A 24 -0.687 -2.793 5.680 1.00 0.00 O ATOM 395 CB CYS A 24 -2.788 -1.958 3.370 1.00 0.00 C ATOM 396 SG CYS A 24 -1.275 -0.999 3.111 1.00 0.00 S ATOM 0 H CYS A 24 -4.726 -3.156 4.349 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.025 -3.912 3.827 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.142 -2.323 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.560 -1.296 3.763 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.507 -0.044 2.260 1.00 0.00 H new ATOM 402 N LEU A 25 -2.677 -2.273 6.581 1.00 0.00 N ATOM 403 CA LEU A 25 -2.102 -1.838 7.845 1.00 0.00 C ATOM 404 C LEU A 25 -1.406 -3.002 8.541 1.00 0.00 C ATOM 405 O LEU A 25 -0.335 -2.840 9.125 1.00 0.00 O ATOM 406 CB LEU A 25 -3.183 -1.252 8.752 1.00 0.00 C ATOM 407 CG LEU A 25 -2.674 -0.249 9.790 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.562 0.984 9.824 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.600 -0.896 11.164 1.00 0.00 C ATOM 0 H LEU A 25 -3.693 -2.203 6.531 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.364 -1.063 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.933 -0.762 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.684 -2.069 9.272 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.670 0.063 9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.183 1.685 10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.561 1.460 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.579 0.693 10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.236 -0.169 11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.592 -1.238 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.919 -1.746 11.130 1.00 0.00 H new ATOM 421 N GLY A 26 -2.020 -4.180 8.468 1.00 0.00 N ATOM 422 CA GLY A 26 -1.444 -5.357 9.091 1.00 0.00 C ATOM 423 C GLY A 26 -0.337 -5.974 8.257 1.00 0.00 C ATOM 424 O GLY A 26 0.711 -6.349 8.784 1.00 0.00 O ATOM 0 H GLY A 26 -2.906 -4.339 7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.049 -5.089 10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.227 -6.097 9.254 1.00 0.00 H new ATOM 428 N GLU A 27 -0.567 -6.080 6.952 1.00 0.00 N ATOM 429 CA GLU A 27 0.419 -6.656 6.045 1.00 0.00 C ATOM 430 C GLU A 27 1.715 -5.851 6.069 1.00 0.00 C ATOM 431 O GLU A 27 2.802 -6.407 6.233 1.00 0.00 O ATOM 432 CB GLU A 27 -0.137 -6.717 4.620 1.00 0.00 C ATOM 433 CG GLU A 27 -0.480 -8.124 4.161 1.00 0.00 C ATOM 434 CD GLU A 27 -1.634 -8.725 4.937 1.00 0.00 C ATOM 435 OE1 GLU A 27 -1.607 -8.665 6.185 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.567 -9.256 4.298 1.00 0.00 O ATOM 0 H GLU A 27 -1.428 -5.774 6.499 1.00 0.00 H new ATOM 0 HA GLU A 27 0.637 -7.670 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.031 -6.096 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.594 -6.288 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.731 -8.105 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.397 -8.762 4.270 1.00 0.00 H new ATOM 443 N LEU A 28 1.593 -4.539 5.903 1.00 0.00 N ATOM 444 CA LEU A 28 2.753 -3.656 5.904 1.00 0.00 C ATOM 445 C LEU A 28 3.508 -3.753 7.225 1.00 0.00 C ATOM 446 O LEU A 28 4.729 -3.608 7.263 1.00 0.00 O ATOM 447 CB LEU A 28 2.325 -2.211 5.648 1.00 0.00 C ATOM 448 CG LEU A 28 2.187 -1.831 4.173 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.796 -0.368 4.031 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.484 -2.114 3.426 1.00 0.00 C ATOM 0 H LEU A 28 0.701 -4.063 5.766 1.00 0.00 H new ATOM 0 HA LEU A 28 3.420 -3.973 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.370 -2.037 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.051 -1.545 6.113 1.00 0.00 H new ATOM 0 HG LEU A 28 1.397 -2.440 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.703 -0.117 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.842 -0.196 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.562 0.259 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.368 -1.838 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.293 -1.531 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.721 -3.176 3.497 1.00 0.00 H new ATOM 462 N THR A 29 2.776 -4.003 8.307 1.00 0.00 N ATOM 463 CA THR A 29 3.389 -4.126 9.624 1.00 0.00 C ATOM 464 C THR A 29 4.417 -5.252 9.631 1.00 0.00 C ATOM 465 O THR A 29 5.454 -5.156 10.284 1.00 0.00 O ATOM 466 CB THR A 29 2.320 -4.379 10.692 1.00 0.00 C ATOM 467 OG1 THR A 29 1.431 -3.282 10.781 1.00 0.00 O ATOM 468 CG2 THR A 29 2.892 -4.618 12.074 1.00 0.00 C ATOM 0 H THR A 29 1.763 -4.124 8.297 1.00 0.00 H new ATOM 0 HA THR A 29 3.897 -3.189 9.855 1.00 0.00 H new ATOM 0 HB THR A 29 1.803 -5.283 10.370 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.701 -3.400 10.138 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.079 -4.790 12.779 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.544 -5.491 12.052 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.465 -3.745 12.387 1.00 0.00 H new ATOM 476 N GLU A 30 4.120 -6.319 8.896 1.00 0.00 N ATOM 477 CA GLU A 30 5.017 -7.465 8.812 1.00 0.00 C ATOM 478 C GLU A 30 6.297 -7.102 8.066 1.00 0.00 C ATOM 479 O GLU A 30 7.393 -7.178 8.619 1.00 0.00 O ATOM 480 CB GLU A 30 4.320 -8.635 8.116 1.00 0.00 C ATOM 481 CG GLU A 30 3.061 -9.105 8.825 1.00 0.00 C ATOM 482 CD GLU A 30 2.694 -10.535 8.481 1.00 0.00 C ATOM 483 OE1 GLU A 30 2.076 -10.748 7.417 1.00 0.00 O ATOM 484 OE2 GLU A 30 3.024 -11.440 9.275 1.00 0.00 O ATOM 0 H GLU A 30 3.264 -6.413 8.350 1.00 0.00 H new ATOM 0 HA GLU A 30 5.282 -7.762 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.065 -8.341 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.017 -9.469 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.203 -9.020 9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.233 -8.448 8.559 1.00 0.00 H new ATOM 491 N VAL A 31 6.150 -6.703 6.803 1.00 0.00 N ATOM 492 CA VAL A 31 7.297 -6.325 5.982 1.00 0.00 C ATOM 493 C VAL A 31 8.159 -5.282 6.685 1.00 0.00 C ATOM 494 O VAL A 31 9.384 -5.293 6.568 1.00 0.00 O ATOM 495 CB VAL A 31 6.853 -5.774 4.613 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.870 -4.633 4.798 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.054 -5.326 3.791 1.00 0.00 C ATOM 0 H VAL A 31 5.250 -6.634 6.328 1.00 0.00 H new ATOM 0 HA VAL A 31 7.885 -7.230 5.826 1.00 0.00 H new ATOM 0 HB VAL A 31 6.354 -6.574 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.565 -4.254 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.994 -4.992 5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.344 -3.833 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.714 -4.941 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.589 -4.542 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.720 -6.174 3.628 1.00 0.00 H new ATOM 507 N CYS A 32 7.511 -4.384 7.419 1.00 0.00 N ATOM 508 CA CYS A 32 8.218 -3.336 8.143 1.00 0.00 C ATOM 509 C CYS A 32 9.232 -3.939 9.111 1.00 0.00 C ATOM 510 O CYS A 32 10.396 -3.537 9.137 1.00 0.00 O ATOM 511 CB CYS A 32 7.227 -2.454 8.904 1.00 0.00 C ATOM 512 SG CYS A 32 6.515 -1.119 7.915 1.00 0.00 S ATOM 0 H CYS A 32 6.497 -4.361 7.528 1.00 0.00 H new ATOM 0 HA CYS A 32 8.753 -2.722 7.418 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.420 -3.079 9.286 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.731 -2.022 9.768 1.00 0.00 H new ATOM 0 HG CYS A 32 5.500 -1.572 7.240 1.00 0.00 H new ATOM 518 N LYS A 33 8.783 -4.907 9.905 1.00 0.00 N ATOM 519 CA LYS A 33 9.652 -5.569 10.872 1.00 0.00 C ATOM 520 C LYS A 33 10.748 -6.356 10.161 1.00 0.00 C ATOM 521 O LYS A 33 11.920 -6.278 10.527 1.00 0.00 O ATOM 522 CB LYS A 33 8.840 -6.507 11.769 1.00 0.00 C ATOM 523 CG LYS A 33 7.515 -5.919 12.228 1.00 0.00 C ATOM 524 CD LYS A 33 7.254 -6.211 13.697 1.00 0.00 C ATOM 525 CE LYS A 33 6.291 -5.203 14.303 1.00 0.00 C ATOM 526 NZ LYS A 33 6.663 -4.849 15.701 1.00 0.00 N ATOM 0 H LYS A 33 7.822 -5.250 9.898 1.00 0.00 H new ATOM 0 HA LYS A 33 10.116 -4.801 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.648 -7.435 11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.436 -6.764 12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.518 -4.841 12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.705 -6.330 11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.844 -7.216 13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.196 -6.192 14.246 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.278 -4.301 13.692 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.281 -5.612 14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.034 -5.345 16.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.647 -5.132 15.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.568 -3.822 15.836 1.00 0.00 H new ATOM 540 N SER A 34 10.356 -7.112 9.140 1.00 0.00 N ATOM 541 CA SER A 34 11.304 -7.913 8.371 1.00 0.00 C ATOM 542 C SER A 34 12.432 -7.047 7.820 1.00 0.00 C ATOM 543 O SER A 34 13.525 -7.539 7.537 1.00 0.00 O ATOM 544 CB SER A 34 10.588 -8.628 7.223 1.00 0.00 C ATOM 545 OG SER A 34 10.053 -9.870 7.648 1.00 0.00 O ATOM 0 H SER A 34 9.389 -7.187 8.826 1.00 0.00 H new ATOM 0 HA SER A 34 11.736 -8.656 9.041 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.787 -7.996 6.840 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.285 -8.791 6.401 1.00 0.00 H new ATOM 0 HG SER A 34 9.600 -10.305 6.896 1.00 0.00 H new ATOM 551 N LEU A 35 12.161 -5.754 7.668 1.00 0.00 N ATOM 552 CA LEU A 35 13.154 -4.820 7.152 1.00 0.00 C ATOM 553 C LEU A 35 14.022 -4.272 8.281 1.00 0.00 C ATOM 554 O LEU A 35 15.188 -3.937 8.074 1.00 0.00 O ATOM 555 CB LEU A 35 12.466 -3.668 6.417 1.00 0.00 C ATOM 556 CG LEU A 35 11.885 -4.026 5.048 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.164 -2.831 4.443 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.985 -4.520 4.117 1.00 0.00 C ATOM 0 H LEU A 35 11.262 -5.330 7.895 1.00 0.00 H new ATOM 0 HA LEU A 35 13.795 -5.357 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.663 -3.284 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.185 -2.859 6.289 1.00 0.00 H new ATOM 0 HG LEU A 35 11.160 -4.829 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.758 -3.106 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.352 -2.525 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.865 -2.005 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.555 -4.771 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.734 -3.738 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.454 -5.406 4.546 1.00 0.00 H new ATOM 570 N GLY A 36 13.444 -4.183 9.475 1.00 0.00 N ATOM 571 CA GLY A 36 14.178 -3.674 10.619 1.00 0.00 C ATOM 572 C GLY A 36 15.163 -4.683 11.176 1.00 0.00 C ATOM 573 O GLY A 36 16.168 -4.309 11.783 1.00 0.00 O ATOM 0 H GLY A 36 12.480 -4.454 9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.714 -2.770 10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.474 -3.390 11.401 1.00 0.00 H new ATOM 577 N LYS A 37 14.877 -5.964 10.973 1.00 0.00 N ATOM 578 CA LYS A 37 15.746 -7.029 11.461 1.00 0.00 C ATOM 579 C LYS A 37 16.955 -7.211 10.548 1.00 0.00 C ATOM 580 O LYS A 37 18.021 -7.638 10.991 1.00 0.00 O ATOM 581 CB LYS A 37 14.967 -8.342 11.566 1.00 0.00 C ATOM 582 CG LYS A 37 14.311 -8.766 10.263 1.00 0.00 C ATOM 583 CD LYS A 37 14.998 -9.981 9.658 1.00 0.00 C ATOM 584 CE LYS A 37 14.201 -10.552 8.496 1.00 0.00 C ATOM 585 NZ LYS A 37 15.051 -11.367 7.585 1.00 0.00 N ATOM 0 H LYS A 37 14.050 -6.291 10.474 1.00 0.00 H new ATOM 0 HA LYS A 37 16.104 -6.746 12.451 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.643 -9.131 11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.199 -8.239 12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.260 -8.993 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.342 -7.939 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.995 -9.703 9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.126 -10.746 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.388 -11.168 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.745 -9.737 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.792 -11.168 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.051 -11.126 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.905 -12.377 7.785 1.00 0.00 H new ATOM 599 N VAL A 38 16.783 -6.886 9.270 1.00 0.00 N ATOM 600 CA VAL A 38 17.863 -7.016 8.298 1.00 0.00 C ATOM 601 C VAL A 38 18.732 -5.764 8.268 1.00 0.00 C ATOM 602 O VAL A 38 19.944 -5.844 8.068 1.00 0.00 O ATOM 603 CB VAL A 38 17.319 -7.283 6.884 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.727 -8.682 6.794 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.290 -6.235 6.508 1.00 0.00 C ATOM 0 H VAL A 38 15.908 -6.531 8.884 1.00 0.00 H new ATOM 0 HA VAL A 38 18.468 -7.867 8.613 1.00 0.00 H new ATOM 0 HB VAL A 38 18.145 -7.220 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.347 -8.852 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.498 -9.419 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.911 -8.779 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.914 -6.437 5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.464 -6.265 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.751 -5.248 6.530 1.00 0.00 H new ATOM 615 N PHE A 39 18.106 -4.608 8.465 1.00 0.00 N ATOM 616 CA PHE A 39 18.825 -3.339 8.460 1.00 0.00 C ATOM 617 C PHE A 39 19.356 -3.004 9.851 1.00 0.00 C ATOM 618 O PHE A 39 20.351 -2.292 9.990 1.00 0.00 O ATOM 619 CB PHE A 39 17.914 -2.215 7.965 1.00 0.00 C ATOM 620 CG PHE A 39 17.880 -2.087 6.469 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.991 -1.637 5.775 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.737 -2.415 5.756 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.965 -1.519 4.397 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.703 -2.297 4.380 1.00 0.00 C ATOM 625 CZ PHE A 39 17.819 -1.849 3.699 1.00 0.00 C ATOM 0 H PHE A 39 17.103 -4.524 8.630 1.00 0.00 H new ATOM 0 HA PHE A 39 19.674 -3.436 7.783 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.902 -2.391 8.330 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.248 -1.271 8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.888 -1.375 6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.862 -2.767 6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.839 -1.170 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.806 -2.554 3.837 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.795 -1.757 2.623 1.00 0.00 H new ATOM 635 N GLY A 40 18.691 -3.523 10.878 1.00 0.00 N ATOM 636 CA GLY A 40 19.115 -3.267 12.241 1.00 0.00 C ATOM 637 C GLY A 40 18.390 -2.091 12.866 1.00 0.00 C ATOM 638 O GLY A 40 18.926 -1.422 13.750 1.00 0.00 O ATOM 0 H GLY A 40 17.866 -4.116 10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.942 -4.158 12.845 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.188 -3.076 12.254 1.00 0.00 H new ATOM 642 N VAL A 41 17.168 -1.838 12.409 1.00 0.00 N ATOM 643 CA VAL A 41 16.370 -0.736 12.932 1.00 0.00 C ATOM 644 C VAL A 41 15.083 -1.248 13.572 1.00 0.00 C ATOM 645 O VAL A 41 14.677 -2.387 13.346 1.00 0.00 O ATOM 646 CB VAL A 41 16.013 0.277 11.827 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.237 1.088 11.430 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.419 -0.433 10.621 1.00 0.00 C ATOM 0 H VAL A 41 16.709 -2.381 11.678 1.00 0.00 H new ATOM 0 HA VAL A 41 16.977 -0.237 13.687 1.00 0.00 H new ATOM 0 HB VAL A 41 15.263 0.964 12.219 1.00 0.00 H new ATOM 0 HG11 VAL A 41 16.965 1.798 10.649 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.612 1.630 12.298 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.012 0.418 11.058 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.174 0.299 9.852 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.143 -1.146 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.514 -0.962 10.920 1.00 0.00 H new ATOM 658 N HIS A 42 14.450 -0.400 14.375 1.00 0.00 N ATOM 659 CA HIS A 42 13.212 -0.768 15.052 1.00 0.00 C ATOM 660 C HIS A 42 12.023 -0.690 14.098 1.00 0.00 C ATOM 661 O HIS A 42 12.097 -0.055 13.046 1.00 0.00 O ATOM 662 CB HIS A 42 12.974 0.143 16.257 1.00 0.00 C ATOM 663 CG HIS A 42 12.308 -0.548 17.407 1.00 0.00 C ATOM 664 ND1 HIS A 42 10.949 -0.484 17.639 1.00 0.00 N ATOM 665 CD2 HIS A 42 12.820 -1.322 18.392 1.00 0.00 C ATOM 666 CE1 HIS A 42 10.656 -1.188 18.716 1.00 0.00 C ATOM 667 NE2 HIS A 42 11.773 -1.707 19.193 1.00 0.00 N ATOM 0 H HIS A 42 14.774 0.547 14.573 1.00 0.00 H new ATOM 0 HA HIS A 42 13.310 -1.797 15.397 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.930 0.548 16.591 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.360 0.989 15.947 1.00 0.00 H new ATOM 0 HD2 HIS A 42 13.859 -1.587 18.524 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.670 -1.318 19.136 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.846 -2.298 20.021 1.00 0.00 H new ATOM 676 N TYR A 43 10.926 -1.339 14.476 1.00 0.00 N ATOM 677 CA TYR A 43 9.718 -1.344 13.658 1.00 0.00 C ATOM 678 C TYR A 43 9.217 0.079 13.423 1.00 0.00 C ATOM 679 O TYR A 43 8.674 0.389 12.363 1.00 0.00 O ATOM 680 CB TYR A 43 8.629 -2.187 14.333 1.00 0.00 C ATOM 681 CG TYR A 43 7.249 -2.001 13.737 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.046 -2.078 12.366 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.151 -1.747 14.551 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.787 -1.907 11.821 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.889 -1.574 14.013 1.00 0.00 C ATOM 686 CZ TYR A 43 4.713 -1.655 12.649 1.00 0.00 C ATOM 687 OH TYR A 43 3.458 -1.484 12.110 1.00 0.00 O ATOM 0 H TYR A 43 10.849 -1.869 15.344 1.00 0.00 H new ATOM 0 HA TYR A 43 9.958 -1.785 12.690 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.904 -3.240 14.265 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.593 -1.935 15.393 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.885 -2.275 11.715 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.286 -1.684 15.621 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.645 -1.970 10.752 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.046 -1.376 14.658 1.00 0.00 H new ATOM 0 HH TYR A 43 2.813 -1.316 12.829 1.00 0.00 H new ATOM 697 N PHE A 44 9.401 0.938 14.420 1.00 0.00 N ATOM 698 CA PHE A 44 8.965 2.327 14.321 1.00 0.00 C ATOM 699 C PHE A 44 9.964 3.174 13.534 1.00 0.00 C ATOM 700 O PHE A 44 9.743 4.366 13.320 1.00 0.00 O ATOM 701 CB PHE A 44 8.768 2.920 15.717 1.00 0.00 C ATOM 702 CG PHE A 44 7.444 2.570 16.334 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.267 3.093 15.823 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.376 1.720 17.427 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.046 2.773 16.388 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.160 1.397 17.997 1.00 0.00 C ATOM 707 CZ PHE A 44 4.993 1.924 17.477 1.00 0.00 C ATOM 0 H PHE A 44 9.848 0.698 15.305 1.00 0.00 H new ATOM 0 HA PHE A 44 8.016 2.338 13.785 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.568 2.569 16.369 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.857 4.005 15.659 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.304 3.759 14.973 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.285 1.305 17.838 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.136 3.186 15.979 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.121 0.733 18.848 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.041 1.673 17.921 1.00 0.00 H new ATOM 717 N ASN A 45 11.063 2.557 13.103 1.00 0.00 N ATOM 718 CA ASN A 45 12.084 3.266 12.342 1.00 0.00 C ATOM 719 C ASN A 45 11.748 3.273 10.853 1.00 0.00 C ATOM 720 O ASN A 45 12.095 4.210 10.133 1.00 0.00 O ATOM 721 CB ASN A 45 13.457 2.628 12.570 1.00 0.00 C ATOM 722 CG ASN A 45 14.446 3.591 13.196 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.214 4.253 12.495 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.432 3.678 14.520 1.00 0.00 N ATOM 0 H ASN A 45 11.267 1.571 13.268 1.00 0.00 H new ATOM 0 HA ASN A 45 12.111 4.298 12.692 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.347 1.756 13.214 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.852 2.274 11.618 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.074 4.312 14.996 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.779 3.111 15.061 1.00 0.00 H new ATOM 731 N ILE A 46 11.072 2.224 10.398 1.00 0.00 N ATOM 732 CA ILE A 46 10.689 2.112 8.994 1.00 0.00 C ATOM 733 C ILE A 46 9.636 3.154 8.632 1.00 0.00 C ATOM 734 O ILE A 46 9.900 4.076 7.862 1.00 0.00 O ATOM 735 CB ILE A 46 10.142 0.709 8.669 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.107 -0.367 9.168 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.906 0.565 7.173 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.490 -0.264 8.565 1.00 0.00 C ATOM 0 H ILE A 46 10.778 1.439 10.980 1.00 0.00 H new ATOM 0 HA ILE A 46 11.589 2.285 8.404 1.00 0.00 H new ATOM 0 HB ILE A 46 9.188 0.580 9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.186 -0.298 10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.692 -1.349 8.941 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.520 -0.432 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.183 1.312 6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.846 0.711 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.121 -1.058 8.964 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.423 -0.364 7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.924 0.704 8.814 1.00 0.00 H new ATOM 750 N PHE A 47 8.443 3.000 9.199 1.00 0.00 N ATOM 751 CA PHE A 47 7.347 3.928 8.942 1.00 0.00 C ATOM 752 C PHE A 47 6.599 4.250 10.232 1.00 0.00 C ATOM 753 O PHE A 47 6.642 3.482 11.193 1.00 0.00 O ATOM 754 CB PHE A 47 6.373 3.338 7.915 1.00 0.00 C ATOM 755 CG PHE A 47 6.878 3.348 6.495 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.830 4.268 6.075 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.394 2.429 5.578 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.285 4.269 4.769 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.846 2.427 4.272 1.00 0.00 C ATOM 760 CZ PHE A 47 7.792 3.346 3.867 1.00 0.00 C ATOM 0 H PHE A 47 8.211 2.241 9.840 1.00 0.00 H new ATOM 0 HA PHE A 47 7.772 4.848 8.542 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.145 2.311 8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.438 3.896 7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.219 4.991 6.776 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.654 1.705 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.025 4.990 4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.458 1.706 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.146 3.344 2.847 1.00 0.00 H new ATOM 770 N ASN A 48 5.915 5.388 10.244 1.00 0.00 N ATOM 771 CA ASN A 48 5.155 5.810 11.416 1.00 0.00 C ATOM 772 C ASN A 48 3.719 5.301 11.345 1.00 0.00 C ATOM 773 O ASN A 48 3.256 4.871 10.289 1.00 0.00 O ATOM 774 CB ASN A 48 5.164 7.335 11.533 1.00 0.00 C ATOM 775 CG ASN A 48 5.181 7.804 12.974 1.00 0.00 C ATOM 776 OD1 ASN A 48 4.163 7.756 13.666 1.00 0.00 O ATOM 777 ND2 ASN A 48 6.339 8.260 13.435 1.00 0.00 N ATOM 0 H ASN A 48 5.871 6.035 9.457 1.00 0.00 H new ATOM 0 HA ASN A 48 5.629 5.382 12.300 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.037 7.731 11.015 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.285 7.740 11.032 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.411 8.589 14.398 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.157 8.282 12.826 1.00 0.00 H new ATOM 784 N THR A 49 3.021 5.351 12.474 1.00 0.00 N ATOM 785 CA THR A 49 1.637 4.895 12.539 1.00 0.00 C ATOM 786 C THR A 49 0.770 5.625 11.517 1.00 0.00 C ATOM 787 O THR A 49 -0.121 5.034 10.909 1.00 0.00 O ATOM 788 CB THR A 49 1.075 5.110 13.947 1.00 0.00 C ATOM 789 OG1 THR A 49 1.904 4.494 14.916 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.323 4.559 14.123 1.00 0.00 C ATOM 0 H THR A 49 3.391 5.703 13.357 1.00 0.00 H new ATOM 0 HA THR A 49 1.621 3.831 12.304 1.00 0.00 H new ATOM 0 HB THR A 49 1.042 6.191 14.084 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.530 4.644 15.809 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.661 4.744 15.142 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.998 5.049 13.422 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.318 3.486 13.932 1.00 0.00 H new ATOM 798 N VAL A 50 1.040 6.913 11.334 1.00 0.00 N ATOM 799 CA VAL A 50 0.286 7.723 10.386 1.00 0.00 C ATOM 800 C VAL A 50 0.632 7.355 8.945 1.00 0.00 C ATOM 801 O VAL A 50 -0.175 7.548 8.035 1.00 0.00 O ATOM 802 CB VAL A 50 0.546 9.225 10.603 1.00 0.00 C ATOM 803 CG1 VAL A 50 2.014 9.544 10.385 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.333 10.063 9.687 1.00 0.00 C ATOM 0 H VAL A 50 1.775 7.418 11.830 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.770 7.516 10.562 1.00 0.00 H new ATOM 0 HB VAL A 50 0.290 9.474 11.633 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.182 10.609 10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.619 8.974 11.090 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.297 9.278 9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.132 11.121 9.858 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.116 9.816 8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.382 9.854 9.898 1.00 0.00 H new ATOM 814 N THR A 51 1.835 6.826 8.745 1.00 0.00 N ATOM 815 CA THR A 51 2.286 6.432 7.415 1.00 0.00 C ATOM 816 C THR A 51 1.583 5.159 6.956 1.00 0.00 C ATOM 817 O THR A 51 1.137 5.062 5.812 1.00 0.00 O ATOM 818 CB THR A 51 3.801 6.224 7.407 1.00 0.00 C ATOM 819 OG1 THR A 51 4.452 7.239 8.149 1.00 0.00 O ATOM 820 CG2 THR A 51 4.397 6.221 6.016 1.00 0.00 C ATOM 0 H THR A 51 2.515 6.660 9.487 1.00 0.00 H new ATOM 0 HA THR A 51 2.034 7.234 6.722 1.00 0.00 H new ATOM 0 HB THR A 51 3.959 5.244 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.160 8.118 7.828 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.474 6.069 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.952 5.416 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.194 7.176 5.531 1.00 0.00 H new ATOM 828 N LEU A 52 1.488 4.184 7.854 1.00 0.00 N ATOM 829 CA LEU A 52 0.839 2.916 7.541 1.00 0.00 C ATOM 830 C LEU A 52 -0.614 3.132 7.137 1.00 0.00 C ATOM 831 O LEU A 52 -1.075 2.600 6.128 1.00 0.00 O ATOM 832 CB LEU A 52 0.912 1.972 8.743 1.00 0.00 C ATOM 833 CG LEU A 52 2.324 1.543 9.146 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.317 0.930 10.537 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.892 0.562 8.131 1.00 0.00 C ATOM 0 H LEU A 52 1.852 4.248 8.805 1.00 0.00 H new ATOM 0 HA LEU A 52 1.366 2.465 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.439 2.458 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.327 1.079 8.520 1.00 0.00 H new ATOM 0 HG LEU A 52 2.962 2.427 9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.329 0.630 10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.951 1.663 11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.665 0.056 10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.897 0.267 8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.254 -0.321 8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.932 1.036 7.150 1.00 0.00 H new ATOM 847 N LYS A 53 -1.333 3.918 7.933 1.00 0.00 N ATOM 848 CA LYS A 53 -2.736 4.205 7.656 1.00 0.00 C ATOM 849 C LYS A 53 -2.896 4.879 6.297 1.00 0.00 C ATOM 850 O LYS A 53 -3.910 4.706 5.622 1.00 0.00 O ATOM 851 CB LYS A 53 -3.323 5.094 8.752 1.00 0.00 C ATOM 852 CG LYS A 53 -2.563 6.396 8.952 1.00 0.00 C ATOM 853 CD LYS A 53 -3.189 7.245 10.044 1.00 0.00 C ATOM 854 CE LYS A 53 -3.174 6.528 11.385 1.00 0.00 C ATOM 855 NZ LYS A 53 -4.482 5.880 11.682 1.00 0.00 N ATOM 0 H LYS A 53 -0.968 4.367 8.773 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.277 3.259 7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.360 5.322 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.332 4.541 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.527 6.177 9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.548 6.957 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.648 8.188 10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.216 7.490 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.387 5.774 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.934 7.240 12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.319 4.983 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.054 6.510 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.987 5.694 10.792 1.00 0.00 H new ATOM 869 N LYS A 54 -1.886 5.648 5.901 1.00 0.00 N ATOM 870 CA LYS A 54 -1.916 6.347 4.623 1.00 0.00 C ATOM 871 C LYS A 54 -1.820 5.358 3.463 1.00 0.00 C ATOM 872 O LYS A 54 -2.721 5.279 2.628 1.00 0.00 O ATOM 873 CB LYS A 54 -0.778 7.366 4.544 1.00 0.00 C ATOM 874 CG LYS A 54 -1.249 8.809 4.623 1.00 0.00 C ATOM 875 CD LYS A 54 -2.012 9.076 5.912 1.00 0.00 C ATOM 876 CE LYS A 54 -2.656 10.453 5.906 1.00 0.00 C ATOM 877 NZ LYS A 54 -2.153 11.307 7.018 1.00 0.00 N ATOM 0 H LYS A 54 -1.038 5.802 6.447 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.866 6.876 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.075 7.177 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.235 7.220 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.390 9.477 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.887 9.032 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.781 8.315 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.333 8.995 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.456 10.943 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.738 10.348 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.617 12.237 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.366 10.852 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.124 11.429 6.924 1.00 0.00 H new ATOM 891 N LEU A 55 -0.725 4.603 3.418 1.00 0.00 N ATOM 892 CA LEU A 55 -0.525 3.617 2.362 1.00 0.00 C ATOM 893 C LEU A 55 -1.692 2.635 2.291 1.00 0.00 C ATOM 894 O LEU A 55 -1.935 2.021 1.253 1.00 0.00 O ATOM 895 CB LEU A 55 0.787 2.857 2.573 1.00 0.00 C ATOM 896 CG LEU A 55 2.022 3.516 1.948 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.931 4.107 3.012 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.788 2.516 1.102 1.00 0.00 C ATOM 0 H LEU A 55 0.034 4.655 4.098 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.473 4.155 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.956 2.744 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.680 1.854 2.159 1.00 0.00 H new ATOM 0 HG LEU A 55 1.677 4.329 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.797 4.567 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.385 4.862 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.264 3.317 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.661 3.001 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.110 1.682 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.144 2.145 0.305 1.00 0.00 H new ATOM 910 N ALA A 56 -2.416 2.495 3.398 1.00 0.00 N ATOM 911 CA ALA A 56 -3.557 1.591 3.453 1.00 0.00 C ATOM 912 C ALA A 56 -4.797 2.239 2.845 1.00 0.00 C ATOM 913 O ALA A 56 -5.496 1.627 2.036 1.00 0.00 O ATOM 914 CB ALA A 56 -3.829 1.170 4.889 1.00 0.00 C ATOM 0 H ALA A 56 -2.232 2.996 4.267 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.316 0.704 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.684 0.495 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.953 0.661 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.045 2.052 5.492 1.00 0.00 H new ATOM 920 N GLU A 57 -5.066 3.481 3.238 1.00 0.00 N ATOM 921 CA GLU A 57 -6.222 4.212 2.730 1.00 0.00 C ATOM 922 C GLU A 57 -6.201 4.275 1.205 1.00 0.00 C ATOM 923 O GLU A 57 -7.249 4.318 0.562 1.00 0.00 O ATOM 924 CB GLU A 57 -6.251 5.627 3.310 1.00 0.00 C ATOM 925 CG GLU A 57 -6.609 5.673 4.787 1.00 0.00 C ATOM 926 CD GLU A 57 -7.728 6.651 5.088 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.433 7.849 5.280 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.900 6.218 5.131 1.00 0.00 O ATOM 0 H GLU A 57 -4.499 4.002 3.907 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.121 3.680 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.274 6.089 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.971 6.225 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.904 4.677 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.726 5.950 5.362 1.00 0.00 H new ATOM 935 N SER A 58 -4.999 4.281 0.635 1.00 0.00 N ATOM 936 CA SER A 58 -4.840 4.337 -0.813 1.00 0.00 C ATOM 937 C SER A 58 -4.912 2.941 -1.422 1.00 0.00 C ATOM 938 O SER A 58 -5.655 2.705 -2.374 1.00 0.00 O ATOM 939 CB SER A 58 -3.507 4.996 -1.174 1.00 0.00 C ATOM 940 OG SER A 58 -2.423 4.111 -0.949 1.00 0.00 O ATOM 0 H SER A 58 -4.122 4.248 1.155 1.00 0.00 H new ATOM 0 HA SER A 58 -5.655 4.934 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.520 5.301 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.372 5.900 -0.580 1.00 0.00 H new ATOM 0 HG SER A 58 -1.583 4.555 -1.189 1.00 0.00 H new ATOM 946 N LEU A 59 -4.133 2.020 -0.864 1.00 0.00 N ATOM 947 CA LEU A 59 -4.105 0.645 -1.349 1.00 0.00 C ATOM 948 C LEU A 59 -3.613 0.587 -2.795 1.00 0.00 C ATOM 949 O LEU A 59 -4.221 -0.062 -3.647 1.00 0.00 O ATOM 950 CB LEU A 59 -5.500 0.010 -1.230 1.00 0.00 C ATOM 951 CG LEU A 59 -5.694 -1.008 -0.091 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.894 -2.406 -0.652 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.522 -1.000 0.884 1.00 0.00 C ATOM 0 H LEU A 59 -3.512 2.201 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.408 0.078 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.230 0.810 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.732 -0.484 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.587 -0.711 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.029 -3.111 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.777 -2.419 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.019 -2.692 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.699 -1.732 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.605 -1.253 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.423 -0.008 1.326 1.00 0.00 H new ATOM 965 N SER A 60 -2.506 1.270 -3.062 1.00 0.00 N ATOM 966 CA SER A 60 -1.925 1.297 -4.399 1.00 0.00 C ATOM 967 C SER A 60 -0.404 1.192 -4.328 1.00 0.00 C ATOM 968 O SER A 60 0.249 1.981 -3.646 1.00 0.00 O ATOM 969 CB SER A 60 -2.328 2.580 -5.128 1.00 0.00 C ATOM 970 OG SER A 60 -2.693 2.313 -6.471 1.00 0.00 O ATOM 0 H SER A 60 -1.992 1.814 -2.369 1.00 0.00 H new ATOM 0 HA SER A 60 -2.307 0.440 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.163 3.050 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.500 3.289 -5.107 1.00 0.00 H new ATOM 0 HG SER A 60 -2.948 3.150 -6.913 1.00 0.00 H new ATOM 976 N SER A 61 0.154 0.210 -5.029 1.00 0.00 N ATOM 977 CA SER A 61 1.598 0.007 -5.032 1.00 0.00 C ATOM 978 C SER A 61 2.298 1.057 -5.889 1.00 0.00 C ATOM 979 O SER A 61 2.597 0.821 -7.060 1.00 0.00 O ATOM 980 CB SER A 61 1.937 -1.395 -5.545 1.00 0.00 C ATOM 981 OG SER A 61 0.860 -1.944 -6.283 1.00 0.00 O ATOM 0 H SER A 61 -0.369 -0.454 -5.599 1.00 0.00 H new ATOM 0 HA SER A 61 1.953 0.108 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.827 -1.350 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.174 -2.046 -4.703 1.00 0.00 H new ATOM 0 HG SER A 61 0.265 -2.434 -5.678 1.00 0.00 H new ATOM 987 N ASP A 62 2.564 2.213 -5.290 1.00 0.00 N ATOM 988 CA ASP A 62 3.240 3.301 -5.986 1.00 0.00 C ATOM 989 C ASP A 62 4.472 3.746 -5.204 1.00 0.00 C ATOM 990 O ASP A 62 4.549 3.540 -3.996 1.00 0.00 O ATOM 991 CB ASP A 62 2.288 4.482 -6.182 1.00 0.00 C ATOM 992 CG ASP A 62 1.581 4.439 -7.522 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.131 3.344 -7.921 1.00 0.00 O ATOM 994 OD2 ASP A 62 1.475 5.501 -8.172 1.00 0.00 O ATOM 0 H ASP A 62 2.321 2.421 -4.321 1.00 0.00 H new ATOM 0 HA ASP A 62 3.556 2.940 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.546 4.484 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.848 5.414 -6.099 1.00 0.00 H new ATOM 999 N PRO A 63 5.459 4.354 -5.883 1.00 0.00 N ATOM 1000 CA PRO A 63 6.685 4.817 -5.243 1.00 0.00 C ATOM 1001 C PRO A 63 6.569 6.238 -4.695 1.00 0.00 C ATOM 1002 O PRO A 63 6.942 6.503 -3.552 1.00 0.00 O ATOM 1003 CB PRO A 63 7.691 4.763 -6.386 1.00 0.00 C ATOM 1004 CG PRO A 63 6.892 5.038 -7.620 1.00 0.00 C ATOM 1005 CD PRO A 63 5.466 4.626 -7.331 1.00 0.00 C ATOM 0 HA PRO A 63 6.953 4.214 -4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.479 5.504 -6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.176 3.788 -6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.941 6.095 -7.883 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.289 4.480 -8.468 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.762 5.416 -7.592 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.182 3.743 -7.904 1.00 0.00 H new ATOM 1013 N GLU A 64 6.058 7.151 -5.517 1.00 0.00 N ATOM 1014 CA GLU A 64 5.905 8.546 -5.114 1.00 0.00 C ATOM 1015 C GLU A 64 4.708 8.729 -4.186 1.00 0.00 C ATOM 1016 O GLU A 64 4.731 9.570 -3.287 1.00 0.00 O ATOM 1017 CB GLU A 64 5.746 9.441 -6.344 1.00 0.00 C ATOM 1018 CG GLU A 64 4.727 8.924 -7.347 1.00 0.00 C ATOM 1019 CD GLU A 64 5.366 8.448 -8.636 1.00 0.00 C ATOM 1020 OE1 GLU A 64 6.584 8.171 -8.629 1.00 0.00 O ATOM 1021 OE2 GLU A 64 4.649 8.350 -9.654 1.00 0.00 O ATOM 0 H GLU A 64 5.743 6.950 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 64 6.806 8.834 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.451 10.439 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.712 9.539 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.166 8.103 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.011 9.714 -7.571 1.00 0.00 H new ATOM 1028 N VAL A 65 3.663 7.941 -4.409 1.00 0.00 N ATOM 1029 CA VAL A 65 2.456 8.022 -3.593 1.00 0.00 C ATOM 1030 C VAL A 65 2.771 7.808 -2.115 1.00 0.00 C ATOM 1031 O VAL A 65 2.024 8.248 -1.242 1.00 0.00 O ATOM 1032 CB VAL A 65 1.401 6.989 -4.039 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.132 7.126 -3.211 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.092 7.144 -5.522 1.00 0.00 C ATOM 0 H VAL A 65 3.626 7.239 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 65 2.051 9.024 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 65 1.810 5.992 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.599 6.388 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.364 6.961 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.279 8.127 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.346 6.406 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.706 8.146 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.002 6.991 -6.101 1.00 0.00 H new ATOM 1044 N LEU A 66 3.881 7.129 -1.840 1.00 0.00 N ATOM 1045 CA LEU A 66 4.288 6.857 -0.465 1.00 0.00 C ATOM 1046 C LEU A 66 5.201 7.961 0.053 1.00 0.00 C ATOM 1047 O LEU A 66 5.056 8.424 1.185 1.00 0.00 O ATOM 1048 CB LEU A 66 5.009 5.510 -0.380 1.00 0.00 C ATOM 1049 CG LEU A 66 4.512 4.442 -1.355 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.132 3.088 -1.036 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.994 4.354 -1.327 1.00 0.00 C ATOM 0 H LEU A 66 4.513 6.758 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 66 3.391 6.822 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.072 5.673 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.910 5.126 0.635 1.00 0.00 H new ATOM 0 HG LEU A 66 4.821 4.730 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.764 2.344 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.217 3.157 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.859 2.793 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.661 3.588 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.663 4.094 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.568 5.316 -1.612 1.00 0.00 H new ATOM 1063 N LEU A 67 6.146 8.377 -0.785 1.00 0.00 N ATOM 1064 CA LEU A 67 7.094 9.427 -0.422 1.00 0.00 C ATOM 1065 C LEU A 67 6.379 10.649 0.145 1.00 0.00 C ATOM 1066 O LEU A 67 6.861 11.283 1.083 1.00 0.00 O ATOM 1067 CB LEU A 67 7.925 9.832 -1.641 1.00 0.00 C ATOM 1068 CG LEU A 67 9.249 10.524 -1.324 1.00 0.00 C ATOM 1069 CD1 LEU A 67 10.039 10.766 -2.599 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.005 11.836 -0.591 1.00 0.00 C ATOM 0 H LEU A 67 6.276 8.001 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 67 7.753 9.029 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.132 8.940 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.326 10.496 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 67 9.832 9.871 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.980 11.260 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.245 9.813 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.460 11.399 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.960 12.314 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.403 12.495 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.477 11.639 0.342 1.00 0.00 H new ATOM 1082 N GLN A 68 5.229 10.975 -0.433 1.00 0.00 N ATOM 1083 CA GLN A 68 4.449 12.121 0.017 1.00 0.00 C ATOM 1084 C GLN A 68 3.813 11.845 1.377 1.00 0.00 C ATOM 1085 O GLN A 68 3.441 12.772 2.098 1.00 0.00 O ATOM 1086 CB GLN A 68 3.370 12.462 -1.011 1.00 0.00 C ATOM 1087 CG GLN A 68 3.927 12.827 -2.377 1.00 0.00 C ATOM 1088 CD GLN A 68 4.168 14.316 -2.530 1.00 0.00 C ATOM 1089 OE1 GLN A 68 5.286 14.798 -2.345 1.00 0.00 O ATOM 1090 NE2 GLN A 68 3.118 15.054 -2.869 1.00 0.00 N ATOM 0 H GLN A 68 4.817 10.463 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 68 5.121 12.973 0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.699 11.610 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.773 13.294 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.863 12.293 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.233 12.494 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.210 14.613 -3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.220 16.062 -2.986 1.00 0.00 H new ATOM 1099 N ILE A 69 3.699 10.566 1.725 1.00 0.00 N ATOM 1100 CA ILE A 69 3.118 10.170 3.000 1.00 0.00 C ATOM 1101 C ILE A 69 3.995 10.635 4.160 1.00 0.00 C ATOM 1102 O ILE A 69 5.215 10.484 4.125 1.00 0.00 O ATOM 1103 CB ILE A 69 2.941 8.640 3.081 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.164 8.131 1.866 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.234 8.248 4.370 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.735 8.624 1.808 1.00 0.00 C ATOM 0 H ILE A 69 4.002 9.787 1.140 1.00 0.00 H new ATOM 0 HA ILE A 69 2.139 10.644 3.072 1.00 0.00 H new ATOM 0 HB ILE A 69 3.928 8.178 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.683 8.440 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.163 7.041 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.119 7.165 4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.824 8.580 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.251 8.718 4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.247 8.222 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.199 8.292 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.727 9.713 1.765 1.00 0.00 H new ATOM 1118 N ASP A 70 3.364 11.202 5.183 1.00 0.00 N ATOM 1119 CA ASP A 70 4.090 11.693 6.351 1.00 0.00 C ATOM 1120 C ASP A 70 4.973 10.601 6.947 1.00 0.00 C ATOM 1121 O ASP A 70 4.478 9.626 7.510 1.00 0.00 O ATOM 1122 CB ASP A 70 3.109 12.205 7.407 1.00 0.00 C ATOM 1123 CG ASP A 70 2.178 13.271 6.864 1.00 0.00 C ATOM 1124 OD1 ASP A 70 2.625 14.427 6.708 1.00 0.00 O ATOM 1125 OD2 ASP A 70 1.001 12.950 6.594 1.00 0.00 O ATOM 0 H ASP A 70 2.353 11.333 5.228 1.00 0.00 H new ATOM 0 HA ASP A 70 4.731 12.514 6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.519 11.370 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.667 12.610 8.251 1.00 0.00 H new ATOM 1130 N GLY A 71 6.286 10.773 6.820 1.00 0.00 N ATOM 1131 CA GLY A 71 7.218 9.796 7.352 1.00 0.00 C ATOM 1132 C GLY A 71 8.077 9.160 6.275 1.00 0.00 C ATOM 1133 O GLY A 71 9.196 8.721 6.544 1.00 0.00 O ATOM 0 H GLY A 71 6.720 11.572 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.862 10.277 8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.663 9.017 7.875 1.00 0.00 H new ATOM 1137 N VAL A 72 7.556 9.111 5.053 1.00 0.00 N ATOM 1138 CA VAL A 72 8.287 8.523 3.935 1.00 0.00 C ATOM 1139 C VAL A 72 9.222 9.541 3.295 1.00 0.00 C ATOM 1140 O VAL A 72 8.938 10.739 3.282 1.00 0.00 O ATOM 1141 CB VAL A 72 7.329 7.977 2.857 1.00 0.00 C ATOM 1142 CG1 VAL A 72 8.076 7.079 1.882 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.170 7.230 3.496 1.00 0.00 C ATOM 0 H VAL A 72 6.632 9.470 4.812 1.00 0.00 H new ATOM 0 HA VAL A 72 8.872 7.698 4.341 1.00 0.00 H new ATOM 0 HB VAL A 72 6.923 8.822 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.383 6.704 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.867 7.649 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.514 6.240 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.507 6.853 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.554 6.394 4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.617 7.906 4.148 1.00 0.00 H new ATOM 1153 N THR A 73 10.341 9.059 2.763 1.00 0.00 N ATOM 1154 CA THR A 73 11.319 9.927 2.119 1.00 0.00 C ATOM 1155 C THR A 73 11.939 9.241 0.906 1.00 0.00 C ATOM 1156 O THR A 73 11.561 8.123 0.552 1.00 0.00 O ATOM 1157 CB THR A 73 12.412 10.325 3.110 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.629 9.295 4.059 1.00 0.00 O ATOM 1159 CG2 THR A 73 12.095 11.592 3.875 1.00 0.00 C ATOM 0 H THR A 73 10.593 8.071 2.766 1.00 0.00 H new ATOM 0 HA THR A 73 10.803 10.826 1.781 1.00 0.00 H new ATOM 0 HB THR A 73 13.301 10.498 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.591 9.190 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.912 11.817 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.971 12.418 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.174 11.454 4.441 1.00 0.00 H new ATOM 1167 N GLU A 74 12.891 9.917 0.274 1.00 0.00 N ATOM 1168 CA GLU A 74 13.565 9.374 -0.901 1.00 0.00 C ATOM 1169 C GLU A 74 14.439 8.178 -0.534 1.00 0.00 C ATOM 1170 O GLU A 74 14.806 7.381 -1.399 1.00 0.00 O ATOM 1171 CB GLU A 74 14.416 10.456 -1.569 1.00 0.00 C ATOM 1172 CG GLU A 74 14.758 10.151 -3.018 1.00 0.00 C ATOM 1173 CD GLU A 74 16.224 9.815 -3.213 1.00 0.00 C ATOM 1174 OE1 GLU A 74 17.061 10.344 -2.454 1.00 0.00 O ATOM 1175 OE2 GLU A 74 16.534 9.021 -4.128 1.00 0.00 O ATOM 0 H GLU A 74 13.214 10.843 0.555 1.00 0.00 H new ATOM 0 HA GLU A 74 12.800 9.035 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.884 11.406 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.340 10.580 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.149 9.316 -3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.501 11.011 -3.637 1.00 0.00 H new ATOM 1182 N ASP A 75 14.774 8.056 0.748 1.00 0.00 N ATOM 1183 CA ASP A 75 15.610 6.956 1.216 1.00 0.00 C ATOM 1184 C ASP A 75 14.763 5.755 1.625 1.00 0.00 C ATOM 1185 O ASP A 75 15.054 4.620 1.245 1.00 0.00 O ATOM 1186 CB ASP A 75 16.472 7.411 2.396 1.00 0.00 C ATOM 1187 CG ASP A 75 15.642 7.942 3.548 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.253 9.129 3.501 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.378 7.174 4.496 1.00 0.00 O ATOM 0 H ASP A 75 14.480 8.704 1.479 1.00 0.00 H new ATOM 0 HA ASP A 75 16.258 6.653 0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.078 6.574 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.161 8.186 2.061 1.00 0.00 H new ATOM 1194 N LYS A 76 13.716 6.008 2.405 1.00 0.00 N ATOM 1195 CA LYS A 76 12.831 4.945 2.867 1.00 0.00 C ATOM 1196 C LYS A 76 12.235 4.175 1.691 1.00 0.00 C ATOM 1197 O LYS A 76 12.142 2.950 1.723 1.00 0.00 O ATOM 1198 CB LYS A 76 11.706 5.526 3.728 1.00 0.00 C ATOM 1199 CG LYS A 76 12.200 6.217 4.989 1.00 0.00 C ATOM 1200 CD LYS A 76 11.410 5.781 6.213 1.00 0.00 C ATOM 1201 CE LYS A 76 12.052 6.280 7.498 1.00 0.00 C ATOM 1202 NZ LYS A 76 11.037 6.762 8.475 1.00 0.00 N ATOM 0 H LYS A 76 13.460 6.940 2.730 1.00 0.00 H new ATOM 0 HA LYS A 76 13.424 4.254 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.135 6.239 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.022 4.724 4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.256 5.992 5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.118 7.297 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.391 6.160 6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.344 4.693 6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.636 5.477 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.746 7.088 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.511 7.046 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.531 7.578 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.360 5.999 8.677 1.00 0.00 H new ATOM 1216 N LEU A 77 11.835 4.903 0.655 1.00 0.00 N ATOM 1217 CA LEU A 77 11.247 4.289 -0.530 1.00 0.00 C ATOM 1218 C LEU A 77 12.316 3.635 -1.408 1.00 0.00 C ATOM 1219 O LEU A 77 11.997 2.899 -2.341 1.00 0.00 O ATOM 1220 CB LEU A 77 10.477 5.338 -1.338 1.00 0.00 C ATOM 1221 CG LEU A 77 9.179 4.841 -1.981 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.448 3.644 -2.878 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.151 4.490 -0.913 1.00 0.00 C ATOM 0 H LEU A 77 11.907 5.920 0.611 1.00 0.00 H new ATOM 0 HA LEU A 77 10.560 3.511 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.241 6.177 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.130 5.720 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 77 8.774 5.645 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.513 3.307 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.145 3.929 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.880 2.836 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.236 4.139 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.549 3.705 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.932 5.374 -0.314 1.00 0.00 H new ATOM 1235 N GLU A 78 13.584 3.912 -1.114 1.00 0.00 N ATOM 1236 CA GLU A 78 14.684 3.349 -1.889 1.00 0.00 C ATOM 1237 C GLU A 78 15.102 1.980 -1.356 1.00 0.00 C ATOM 1238 O GLU A 78 15.296 1.040 -2.125 1.00 0.00 O ATOM 1239 CB GLU A 78 15.883 4.301 -1.872 1.00 0.00 C ATOM 1240 CG GLU A 78 16.624 4.369 -3.196 1.00 0.00 C ATOM 1241 CD GLU A 78 17.942 5.109 -3.088 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.917 6.333 -2.837 1.00 0.00 O ATOM 1243 OE2 GLU A 78 19.000 4.467 -3.255 1.00 0.00 O ATOM 0 H GLU A 78 13.873 4.520 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 78 14.336 3.221 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.539 5.300 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.577 3.985 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.808 3.357 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.994 4.862 -3.936 1.00 0.00 H new ATOM 1250 N LYS A 79 15.251 1.878 -0.040 1.00 0.00 N ATOM 1251 CA LYS A 79 15.662 0.623 0.583 1.00 0.00 C ATOM 1252 C LYS A 79 14.457 -0.230 0.978 1.00 0.00 C ATOM 1253 O LYS A 79 14.426 -1.432 0.713 1.00 0.00 O ATOM 1254 CB LYS A 79 16.535 0.897 1.811 1.00 0.00 C ATOM 1255 CG LYS A 79 15.844 1.716 2.889 1.00 0.00 C ATOM 1256 CD LYS A 79 16.831 2.597 3.639 1.00 0.00 C ATOM 1257 CE LYS A 79 17.917 1.773 4.313 1.00 0.00 C ATOM 1258 NZ LYS A 79 19.093 2.607 4.689 1.00 0.00 N ATOM 0 H LYS A 79 15.094 2.645 0.614 1.00 0.00 H new ATOM 0 HA LYS A 79 16.242 0.066 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.852 -0.054 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.437 1.420 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.071 2.337 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.345 1.048 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.287 3.304 2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.300 3.183 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.510 1.296 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.237 0.975 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.811 2.009 5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.497 3.042 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.793 3.353 5.349 1.00 0.00 H new ATOM 1272 N TYR A 80 13.471 0.392 1.618 1.00 0.00 N ATOM 1273 CA TYR A 80 12.274 -0.322 2.050 1.00 0.00 C ATOM 1274 C TYR A 80 11.268 -0.457 0.910 1.00 0.00 C ATOM 1275 O TYR A 80 10.447 -1.374 0.905 1.00 0.00 O ATOM 1276 CB TYR A 80 11.626 0.392 3.238 1.00 0.00 C ATOM 1277 CG TYR A 80 12.592 0.686 4.364 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.383 -0.319 4.904 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.712 1.968 4.884 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.269 -0.055 5.932 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.595 2.240 5.912 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.371 1.225 6.432 1.00 0.00 C ATOM 1283 OH TYR A 80 15.251 1.493 7.455 1.00 0.00 O ATOM 0 H TYR A 80 13.477 1.386 1.848 1.00 0.00 H new ATOM 0 HA TYR A 80 12.577 -1.323 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.186 1.328 2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.811 -0.222 3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.305 -1.323 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.106 2.765 4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.878 -0.848 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.677 3.242 6.306 1.00 0.00 H new ATOM 0 HH TYR A 80 15.201 2.443 7.689 1.00 0.00 H new ATOM 1293 N GLY A 81 11.337 0.458 -0.054 1.00 0.00 N ATOM 1294 CA GLY A 81 10.424 0.419 -1.184 1.00 0.00 C ATOM 1295 C GLY A 81 10.314 -0.962 -1.803 1.00 0.00 C ATOM 1296 O GLY A 81 9.213 -1.453 -2.050 1.00 0.00 O ATOM 0 H GLY A 81 12.009 1.225 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.436 0.746 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.761 1.126 -1.942 1.00 0.00 H new ATOM 1300 N ALA A 82 11.459 -1.588 -2.052 1.00 0.00 N ATOM 1301 CA ALA A 82 11.488 -2.921 -2.643 1.00 0.00 C ATOM 1302 C ALA A 82 10.726 -3.924 -1.783 1.00 0.00 C ATOM 1303 O ALA A 82 10.267 -4.955 -2.275 1.00 0.00 O ATOM 1304 CB ALA A 82 12.924 -3.378 -2.841 1.00 0.00 C ATOM 0 H ALA A 82 12.379 -1.194 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 82 10.996 -2.870 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.931 -4.374 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.439 -2.683 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.433 -3.405 -1.878 1.00 0.00 H new ATOM 1310 N GLU A 83 10.595 -3.619 -0.494 1.00 0.00 N ATOM 1311 CA GLU A 83 9.891 -4.500 0.430 1.00 0.00 C ATOM 1312 C GLU A 83 8.435 -4.074 0.596 1.00 0.00 C ATOM 1313 O GLU A 83 7.518 -4.828 0.270 1.00 0.00 O ATOM 1314 CB GLU A 83 10.590 -4.511 1.790 1.00 0.00 C ATOM 1315 CG GLU A 83 10.705 -5.898 2.401 1.00 0.00 C ATOM 1316 CD GLU A 83 11.765 -6.746 1.727 1.00 0.00 C ATOM 1317 OE1 GLU A 83 12.966 -6.471 1.934 1.00 0.00 O ATOM 1318 OE2 GLU A 83 11.395 -7.685 0.992 1.00 0.00 O ATOM 0 H GLU A 83 10.967 -2.770 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 83 9.907 -5.506 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.588 -4.087 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.043 -3.865 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.939 -5.805 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.742 -6.403 2.330 1.00 0.00 H new ATOM 1325 N VAL A 84 8.225 -2.861 1.106 1.00 0.00 N ATOM 1326 CA VAL A 84 6.874 -2.344 1.314 1.00 0.00 C ATOM 1327 C VAL A 84 6.006 -2.548 0.075 1.00 0.00 C ATOM 1328 O VAL A 84 4.968 -3.206 0.137 1.00 0.00 O ATOM 1329 CB VAL A 84 6.871 -0.843 1.685 1.00 0.00 C ATOM 1330 CG1 VAL A 84 6.981 -0.666 3.192 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.987 -0.092 0.970 1.00 0.00 C ATOM 0 H VAL A 84 8.970 -2.221 1.382 1.00 0.00 H new ATOM 0 HA VAL A 84 6.460 -2.909 2.149 1.00 0.00 H new ATOM 0 HB VAL A 84 5.923 -0.418 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.977 0.397 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.135 -1.152 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.909 -1.115 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.957 0.960 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.950 -0.516 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.854 -0.182 -0.108 1.00 0.00 H new ATOM 1341 N ILE A 85 6.439 -1.984 -1.050 1.00 0.00 N ATOM 1342 CA ILE A 85 5.698 -2.107 -2.300 1.00 0.00 C ATOM 1343 C ILE A 85 5.457 -3.570 -2.654 1.00 0.00 C ATOM 1344 O ILE A 85 4.470 -3.904 -3.307 1.00 0.00 O ATOM 1345 CB ILE A 85 6.433 -1.423 -3.468 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.784 0.023 -3.101 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.582 -1.469 -4.733 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.277 0.846 -4.271 1.00 0.00 C ATOM 0 H ILE A 85 7.298 -1.438 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 85 4.741 -1.608 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 85 7.360 -1.963 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.903 0.504 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.550 0.016 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.116 -0.981 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.382 -2.507 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.639 -0.952 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.505 1.857 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.176 0.389 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.505 0.885 -5.039 1.00 0.00 H new ATOM 1360 N SER A 86 6.357 -4.443 -2.215 1.00 0.00 N ATOM 1361 CA SER A 86 6.227 -5.870 -2.486 1.00 0.00 C ATOM 1362 C SER A 86 4.896 -6.390 -1.955 1.00 0.00 C ATOM 1363 O SER A 86 4.289 -7.290 -2.538 1.00 0.00 O ATOM 1364 CB SER A 86 7.382 -6.643 -1.848 1.00 0.00 C ATOM 1365 OG SER A 86 7.803 -7.710 -2.679 1.00 0.00 O ATOM 0 H SER A 86 7.182 -4.189 -1.672 1.00 0.00 H new ATOM 0 HA SER A 86 6.260 -6.020 -3.565 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.218 -5.968 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.071 -7.034 -0.879 1.00 0.00 H new ATOM 0 HG SER A 86 8.543 -8.187 -2.249 1.00 0.00 H new ATOM 1371 N VAL A 87 4.448 -5.809 -0.847 1.00 0.00 N ATOM 1372 CA VAL A 87 3.188 -6.200 -0.229 1.00 0.00 C ATOM 1373 C VAL A 87 2.022 -5.367 -0.763 1.00 0.00 C ATOM 1374 O VAL A 87 0.863 -5.761 -0.642 1.00 0.00 O ATOM 1375 CB VAL A 87 3.243 -6.047 1.304 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.036 -6.706 1.952 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.536 -6.633 1.855 1.00 0.00 C ATOM 0 H VAL A 87 4.942 -5.063 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 87 3.029 -7.248 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 87 3.220 -4.984 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.094 -6.587 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.124 -6.237 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.024 -7.767 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.556 -6.515 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.591 -7.692 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.387 -6.111 1.418 1.00 0.00 H new ATOM 1387 N LEU A 88 2.337 -4.211 -1.344 1.00 0.00 N ATOM 1388 CA LEU A 88 1.310 -3.324 -1.881 1.00 0.00 C ATOM 1389 C LEU A 88 0.924 -3.698 -3.310 1.00 0.00 C ATOM 1390 O LEU A 88 -0.104 -3.251 -3.818 1.00 0.00 O ATOM 1391 CB LEU A 88 1.786 -1.870 -1.835 1.00 0.00 C ATOM 1392 CG LEU A 88 1.721 -1.212 -0.452 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.107 -0.799 0.015 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.788 -0.009 -0.472 1.00 0.00 C ATOM 0 H LEU A 88 3.291 -3.869 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 88 0.424 -3.437 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.815 -1.828 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.183 -1.284 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 88 1.326 -1.944 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.036 -0.334 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.748 -1.679 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.532 -0.087 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.756 0.443 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.153 0.722 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.214 -0.330 -0.756 1.00 0.00 H new ATOM 1406 N GLN A 89 1.747 -4.516 -3.957 1.00 0.00 N ATOM 1407 CA GLN A 89 1.478 -4.939 -5.327 1.00 0.00 C ATOM 1408 C GLN A 89 0.113 -5.618 -5.430 1.00 0.00 C ATOM 1409 O GLN A 89 -0.562 -5.530 -6.456 1.00 0.00 O ATOM 1410 CB GLN A 89 2.573 -5.893 -5.811 1.00 0.00 C ATOM 1411 CG GLN A 89 2.957 -5.691 -7.267 1.00 0.00 C ATOM 1412 CD GLN A 89 4.358 -6.181 -7.574 1.00 0.00 C ATOM 1413 OE1 GLN A 89 4.700 -7.331 -7.302 1.00 0.00 O ATOM 1414 NE2 GLN A 89 5.180 -5.306 -8.142 1.00 0.00 N ATOM 0 H GLN A 89 2.604 -4.899 -3.557 1.00 0.00 H new ATOM 0 HA GLN A 89 1.471 -4.052 -5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.458 -5.762 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.236 -6.920 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.245 -6.217 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.884 -4.632 -7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.855 -4.362 -8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.136 -5.578 -8.370 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.280 -6.298 -4.357 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.558 -7.000 -4.318 1.00 0.00 C ATOM 1425 C LYS A 90 -2.732 -6.022 -4.346 1.00 0.00 C ATOM 1426 O LYS A 90 -3.833 -6.378 -4.768 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.642 -7.874 -3.065 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.387 -8.693 -2.811 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.704 -9.989 -2.081 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.668 -9.803 -0.573 1.00 0.00 C ATOM 1431 NZ LYS A 90 -0.526 -11.101 0.144 1.00 0.00 N ATOM 0 H LYS A 90 0.270 -6.378 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.619 -7.630 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.832 -7.238 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.493 -8.548 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.099 -8.919 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.319 -8.106 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.690 -10.345 -2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.014 -10.756 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.163 -9.149 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.582 -9.306 -0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.505 -10.931 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.332 -11.716 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.358 -11.564 -0.148 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.497 -4.797 -3.891 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.546 -3.780 -3.867 1.00 0.00 C ATOM 1447 C TYR A 91 -3.767 -3.184 -5.253 1.00 0.00 C ATOM 1448 O TYR A 91 -4.899 -2.902 -5.643 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.188 -2.668 -2.877 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.631 -3.170 -1.563 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -3.001 -4.410 -1.052 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.731 -2.405 -0.834 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.487 -4.871 0.144 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.214 -2.858 0.363 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.594 -4.092 0.848 1.00 0.00 C ATOM 1456 OH TYR A 91 -1.075 -4.550 2.036 1.00 0.00 O ATOM 0 H TYR A 91 -1.594 -4.483 -3.535 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.470 -4.262 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.457 -2.005 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.079 -2.072 -2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.702 -5.022 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.430 -1.438 -1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.783 -5.837 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.515 -2.249 0.917 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.607 -5.309 2.354 1.00 0.00 H new ATOM 1466 N SER A 92 -2.679 -2.989 -5.988 1.00 0.00 N ATOM 1467 CA SER A 92 -2.756 -2.420 -7.328 1.00 0.00 C ATOM 1468 C SER A 92 -3.530 -3.335 -8.272 1.00 0.00 C ATOM 1469 O SER A 92 -4.156 -2.869 -9.225 1.00 0.00 O ATOM 1470 CB SER A 92 -1.352 -2.167 -7.880 1.00 0.00 C ATOM 1471 OG SER A 92 -1.382 -1.973 -9.283 1.00 0.00 O ATOM 0 H SER A 92 -1.734 -3.216 -5.679 1.00 0.00 H new ATOM 0 HA SER A 92 -3.289 -1.472 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.921 -1.290 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.706 -3.012 -7.640 1.00 0.00 H new ATOM 0 HG SER A 92 -0.473 -1.812 -9.610 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.483 -4.637 -8.006 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.184 -5.607 -8.842 1.00 0.00 C ATOM 1479 C GLU A 93 -5.573 -5.924 -8.287 1.00 0.00 C ATOM 1480 O GLU A 93 -6.415 -6.483 -8.990 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.366 -6.895 -8.968 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.816 -7.401 -7.645 1.00 0.00 C ATOM 1483 CD GLU A 93 -2.815 -8.915 -7.556 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -2.519 -9.570 -8.577 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -3.113 -9.446 -6.464 1.00 0.00 O ATOM 0 H GLU A 93 -2.970 -5.043 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.307 -5.162 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.991 -7.670 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.537 -6.723 -9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.799 -7.032 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.411 -6.993 -6.828 1.00 0.00 H new ATOM 1492 N TRP A 94 -5.812 -5.564 -7.028 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.104 -5.818 -6.395 1.00 0.00 C ATOM 1494 C TRP A 94 -7.835 -4.515 -6.074 1.00 0.00 C ATOM 1495 O TRP A 94 -8.816 -4.515 -5.329 1.00 0.00 O ATOM 1496 CB TRP A 94 -6.918 -6.635 -5.116 1.00 0.00 C ATOM 1497 CG TRP A 94 -6.764 -8.105 -5.368 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -5.794 -8.711 -6.110 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -7.608 -9.151 -4.875 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -5.981 -10.073 -6.110 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -7.089 -10.367 -5.358 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -8.752 -9.179 -4.071 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -7.675 -11.597 -5.065 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -9.331 -10.400 -3.780 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -8.792 -11.595 -4.275 1.00 0.00 C ATOM 0 H TRP A 94 -5.131 -5.098 -6.428 1.00 0.00 H new ATOM 0 HA TRP A 94 -7.711 -6.385 -7.101 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.039 -6.270 -4.585 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -7.775 -6.473 -4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -4.995 -8.196 -6.623 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -5.392 -10.753 -6.591 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -9.175 -8.264 -3.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -7.262 -12.519 -5.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -10.215 -10.434 -3.160 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -9.268 -12.533 -4.028 1.00 0.00 H new ATOM 1516 N THR A 95 -7.360 -3.407 -6.637 1.00 0.00 N ATOM 1517 CA THR A 95 -7.982 -2.109 -6.401 1.00 0.00 C ATOM 1518 C THR A 95 -9.098 -1.848 -7.406 1.00 0.00 C ATOM 1519 O THR A 95 -10.097 -1.200 -7.087 1.00 0.00 O ATOM 1520 CB THR A 95 -6.939 -0.996 -6.482 1.00 0.00 C ATOM 1521 OG1 THR A 95 -7.560 0.276 -6.452 1.00 0.00 O ATOM 1522 CG2 THR A 95 -6.096 -1.068 -7.731 1.00 0.00 C ATOM 0 H THR A 95 -6.550 -3.382 -7.257 1.00 0.00 H new ATOM 0 HA THR A 95 -8.414 -2.120 -5.400 1.00 0.00 H new ATOM 0 HB THR A 95 -6.292 -1.136 -5.616 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.876 0.975 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.374 -0.251 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.566 -2.020 -7.758 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.738 -0.985 -8.608 1.00 0.00 H new ATOM 1530 N SER A 96 -8.925 -2.359 -8.621 1.00 0.00 N ATOM 1531 CA SER A 96 -9.920 -2.183 -9.673 1.00 0.00 C ATOM 1532 C SER A 96 -10.809 -3.421 -9.793 1.00 0.00 C ATOM 1533 O SER A 96 -10.366 -4.464 -10.274 1.00 0.00 O ATOM 1534 CB SER A 96 -9.231 -1.906 -11.010 1.00 0.00 C ATOM 1535 OG SER A 96 -8.455 -0.722 -10.950 1.00 0.00 O ATOM 0 H SER A 96 -8.106 -2.898 -8.901 1.00 0.00 H new ATOM 0 HA SER A 96 -10.547 -1.331 -9.410 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.593 -2.749 -11.275 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.980 -1.814 -11.796 1.00 0.00 H new ATOM 0 HG SER A 96 -8.024 -0.569 -11.817 1.00 0.00 H new ATOM 1541 N PRO A 97 -12.077 -3.324 -9.355 1.00 0.00 N ATOM 1542 CA PRO A 97 -13.019 -4.447 -9.421 1.00 0.00 C ATOM 1543 C PRO A 97 -13.432 -4.773 -10.851 1.00 0.00 C ATOM 1544 O PRO A 97 -13.504 -5.940 -11.238 1.00 0.00 O ATOM 1545 CB PRO A 97 -14.223 -3.951 -8.617 1.00 0.00 C ATOM 1546 CG PRO A 97 -14.156 -2.466 -8.714 1.00 0.00 C ATOM 1547 CD PRO A 97 -12.693 -2.120 -8.765 1.00 0.00 C ATOM 0 HA PRO A 97 -12.582 -5.367 -9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -15.158 -4.333 -9.027 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.171 -4.283 -7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.673 -2.109 -9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.638 -1.997 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.510 -1.235 -9.375 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.295 -1.910 -7.772 1.00 0.00 H new ATOM 1555 N ALA A 98 -13.702 -3.734 -11.636 1.00 0.00 N ATOM 1556 CA ALA A 98 -14.107 -3.910 -13.025 1.00 0.00 C ATOM 1557 C ALA A 98 -13.042 -3.379 -13.979 1.00 0.00 C ATOM 1558 O ALA A 98 -12.321 -2.434 -13.657 1.00 0.00 O ATOM 1559 CB ALA A 98 -15.438 -3.217 -13.277 1.00 0.00 C ATOM 0 H ALA A 98 -13.647 -2.762 -11.333 1.00 0.00 H new ATOM 0 HA ALA A 98 -14.224 -4.977 -13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -15.729 -3.356 -14.318 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -16.200 -3.646 -12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -15.339 -2.152 -13.067 1.00 0.00 H new ATOM 1565 N GLU A 99 -12.951 -3.991 -15.155 1.00 0.00 N ATOM 1566 CA GLU A 99 -11.975 -3.579 -16.157 1.00 0.00 C ATOM 1567 C GLU A 99 -12.486 -2.386 -16.959 1.00 0.00 C ATOM 1568 O GLU A 99 -11.702 -1.575 -17.453 1.00 0.00 O ATOM 1569 CB GLU A 99 -11.658 -4.743 -17.099 1.00 0.00 C ATOM 1570 CG GLU A 99 -10.477 -5.586 -16.646 1.00 0.00 C ATOM 1571 CD GLU A 99 -10.777 -6.383 -15.394 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -11.757 -7.157 -15.401 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -10.032 -6.232 -14.401 1.00 0.00 O ATOM 0 H GLU A 99 -13.541 -4.774 -15.437 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.064 -3.281 -15.638 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.538 -5.381 -17.184 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -11.452 -4.349 -18.094 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -10.194 -6.268 -17.447 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -9.621 -4.937 -16.463 1.00 0.00 H new ATOM 1580 N ASP A 100 -13.805 -2.283 -17.086 1.00 0.00 N ATOM 1581 CA ASP A 100 -14.421 -1.189 -17.829 1.00 0.00 C ATOM 1582 C ASP A 100 -14.014 -1.233 -19.298 1.00 0.00 C ATOM 1583 O ASP A 100 -13.050 -0.587 -19.706 1.00 0.00 O ATOM 1584 CB ASP A 100 -14.026 0.158 -17.219 1.00 0.00 C ATOM 1585 CG ASP A 100 -14.392 0.257 -15.751 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -13.701 -0.371 -14.921 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -15.371 0.964 -15.430 1.00 0.00 O ATOM 0 H ASP A 100 -14.469 -2.945 -16.684 1.00 0.00 H new ATOM 0 HA ASP A 100 -15.503 -1.305 -17.766 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -12.952 0.305 -17.334 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.518 0.961 -17.768 1.00 0.00 H new ATOM 1592 N SER A 101 -14.760 -1.999 -20.090 1.00 0.00 N ATOM 1593 CA SER A 101 -14.481 -2.131 -21.516 1.00 0.00 C ATOM 1594 C SER A 101 -13.114 -2.767 -21.750 1.00 0.00 C ATOM 1595 O SER A 101 -13.072 -3.892 -22.292 1.00 0.00 O ATOM 1596 CB SER A 101 -14.550 -0.762 -22.201 1.00 0.00 C ATOM 1597 OG SER A 101 -13.295 -0.106 -22.172 1.00 0.00 O ATOM 1598 OXT SER A 101 -12.098 -2.136 -21.391 1.00 0.00 O ATOM 0 H SER A 101 -15.563 -2.538 -19.767 1.00 0.00 H new ATOM 0 HA SER A 101 -15.239 -2.783 -21.949 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.873 -0.886 -23.234 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.298 -0.143 -21.705 1.00 0.00 H new ATOM 0 HG SER A 101 -12.733 -0.505 -21.475 1.00 0.00 H new TER 1604 SER A 101