USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 576 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 60 ASN : amide:sc= 0.296 K(o=1.4,f=-2.4!) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= 1.1 F(o=-0.35,f=1.4) USER MOD Set 2.1: A 22 THR OG1 : rot -71:sc= 0.526 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.486 X(o=1,f=0.6) USER MOD Single : A 2 GLN : amide:sc= -0.109 K(o=-0.11,f=-2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 160:sc= 0.656 USER MOD Single : A 9 THR OG1 : rot 101:sc= -3.86! USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0282) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= -0.367 (180deg=-1.68) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= -0.174 (180deg=-0.94) USER MOD Single : A 31 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= -0.323 (180deg=-1.45!) USER MOD Single : A 40 GLN : amide:sc= -1.71 X(o=-1.7,f=-2!) USER MOD Single : A 41 GLN :FLIP amide:sc= 0.264 F(o=-0.87,f=0.26) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0269) USER MOD Single : A 49 GLN : amide:sc= -0.927 K(o=-0.93,f=-1.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -114:sc= -0.021 (180deg=-0.451) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -3:sc= 0.866! USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -15.117 2.866 1.839 1.00 0.00 N ATOM 21 CA GLN A 2 -14.736 3.562 3.063 1.00 0.00 C ATOM 22 C GLN A 2 -13.709 2.752 3.854 1.00 0.00 C ATOM 23 O GLN A 2 -14.039 1.724 4.443 1.00 0.00 O ATOM 24 CB GLN A 2 -15.968 3.830 3.930 1.00 0.00 C ATOM 25 CG GLN A 2 -16.693 5.117 3.573 1.00 0.00 C ATOM 26 CD GLN A 2 -18.188 5.034 3.826 1.00 0.00 C ATOM 27 OE1 GLN A 2 -18.686 4.027 4.331 1.00 0.00 O ATOM 28 NE2 GLN A 2 -18.917 6.092 3.475 1.00 0.00 N ATOM 0 HA GLN A 2 -14.285 4.514 2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.660 2.994 3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.664 3.872 4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.275 5.939 4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.518 5.349 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.466 6.907 3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.926 6.087 3.622 1.00 0.00 H new ATOM 37 N ILE A 3 -12.462 3.222 3.863 1.00 0.00 N ATOM 38 CA ILE A 3 -11.395 2.537 4.582 1.00 0.00 C ATOM 39 C ILE A 3 -10.495 3.537 5.306 1.00 0.00 C ATOM 40 O ILE A 3 -10.423 4.705 4.923 1.00 0.00 O ATOM 41 CB ILE A 3 -10.541 1.679 3.622 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.532 0.838 4.407 1.00 0.00 C ATOM 43 CG2 ILE A 3 -9.829 2.561 2.606 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.964 -0.319 3.613 1.00 0.00 C ATOM 0 H ILE A 3 -12.169 4.072 3.381 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.865 1.884 5.317 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.205 1.003 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.714 1.479 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.014 0.451 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.233 1.939 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.566 3.114 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.177 3.263 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.256 -0.872 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.773 -0.982 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.453 0.062 2.729 1.00 0.00 H new ATOM 56 N PHE A 4 -9.812 3.080 6.357 1.00 0.00 N ATOM 57 CA PHE A 4 -8.928 3.949 7.124 1.00 0.00 C ATOM 58 C PHE A 4 -7.486 3.448 7.066 1.00 0.00 C ATOM 59 O PHE A 4 -7.071 2.630 7.886 1.00 0.00 O ATOM 60 CB PHE A 4 -9.397 4.028 8.579 1.00 0.00 C ATOM 61 CG PHE A 4 -10.130 5.298 8.907 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.473 5.439 8.595 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.476 6.350 9.526 1.00 0.00 C ATOM 64 CE1 PHE A 4 -12.149 6.606 8.895 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.147 7.520 9.829 1.00 0.00 C ATOM 66 CZ PHE A 4 -11.485 7.648 9.513 1.00 0.00 C ATOM 0 H PHE A 4 -9.856 2.118 6.693 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.964 4.945 6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.047 3.179 8.789 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.532 3.938 9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.997 4.628 8.112 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.429 6.255 9.775 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.196 6.704 8.647 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.625 8.333 10.312 1.00 0.00 H new ATOM 0 HZ PHE A 4 -12.012 8.561 9.749 1.00 0.00 H new ATOM 76 N VAL A 5 -6.726 3.948 6.092 1.00 0.00 N ATOM 77 CA VAL A 5 -5.331 3.552 5.930 1.00 0.00 C ATOM 78 C VAL A 5 -4.405 4.520 6.664 1.00 0.00 C ATOM 79 O VAL A 5 -4.793 5.649 6.965 1.00 0.00 O ATOM 80 CB VAL A 5 -4.925 3.498 4.440 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.690 2.633 4.251 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.075 2.985 3.585 1.00 0.00 C ATOM 0 H VAL A 5 -7.054 4.627 5.405 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.231 2.554 6.357 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.686 4.511 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.421 2.608 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.863 3.049 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.899 1.620 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.766 2.955 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.351 1.982 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.932 3.650 3.692 1.00 0.00 H new ATOM 92 N LYS A 6 -3.183 4.076 6.957 1.00 0.00 N ATOM 93 CA LYS A 6 -2.220 4.915 7.660 1.00 0.00 C ATOM 94 C LYS A 6 -1.124 5.403 6.714 1.00 0.00 C ATOM 95 O LYS A 6 -0.591 4.633 5.916 1.00 0.00 O ATOM 96 CB LYS A 6 -1.597 4.145 8.825 1.00 0.00 C ATOM 97 CG LYS A 6 -1.229 5.025 10.008 1.00 0.00 C ATOM 98 CD LYS A 6 -1.325 4.263 11.321 1.00 0.00 C ATOM 99 CE LYS A 6 -2.616 4.581 12.057 1.00 0.00 C ATOM 100 NZ LYS A 6 -2.408 4.677 13.528 1.00 0.00 N ATOM 0 H LYS A 6 -2.840 3.145 6.719 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.751 5.784 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.296 3.377 9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.703 3.631 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.215 5.404 9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.891 5.890 10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.271 3.192 11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.473 4.516 11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.023 5.522 11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.355 3.808 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.312 4.895 13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.044 3.771 13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.722 5.432 13.733 1.00 0.00 H new ATOM 114 N THR A 7 -0.789 6.690 6.811 1.00 0.00 N ATOM 115 CA THR A 7 0.244 7.280 5.966 1.00 0.00 C ATOM 116 C THR A 7 1.560 7.399 6.742 1.00 0.00 C ATOM 117 O THR A 7 1.735 6.734 7.763 1.00 0.00 O ATOM 118 CB THR A 7 -0.222 8.646 5.453 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.130 9.627 6.472 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.651 8.631 4.951 1.00 0.00 C ATOM 0 H THR A 7 -1.219 7.342 7.467 1.00 0.00 H new ATOM 0 HA THR A 7 0.420 6.633 5.107 1.00 0.00 H new ATOM 0 HB THR A 7 0.439 8.887 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.116 10.519 6.067 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.924 9.626 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.741 7.920 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.318 8.336 5.761 1.00 0.00 H new ATOM 128 N LEU A 8 2.491 8.230 6.265 1.00 0.00 N ATOM 129 CA LEU A 8 3.775 8.383 6.949 1.00 0.00 C ATOM 130 C LEU A 8 3.583 8.890 8.378 1.00 0.00 C ATOM 131 O LEU A 8 4.283 8.456 9.293 1.00 0.00 O ATOM 132 CB LEU A 8 4.706 9.323 6.177 1.00 0.00 C ATOM 133 CG LEU A 8 4.096 10.670 5.772 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.734 11.806 6.556 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.255 10.901 4.276 1.00 0.00 C ATOM 0 H LEU A 8 2.382 8.797 5.424 1.00 0.00 H new ATOM 0 HA LEU A 8 4.239 7.397 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.589 9.513 6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.044 8.812 5.276 1.00 0.00 H new ATOM 0 HG LEU A 8 3.032 10.647 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.287 12.753 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.568 11.651 7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.805 11.830 6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.816 11.862 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.314 10.901 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.749 10.105 3.729 1.00 0.00 H new ATOM 147 N THR A 9 2.634 9.805 8.571 1.00 0.00 N ATOM 148 CA THR A 9 2.367 10.352 9.897 1.00 0.00 C ATOM 149 C THR A 9 1.006 9.886 10.412 1.00 0.00 C ATOM 150 O THR A 9 0.922 9.198 11.429 1.00 0.00 O ATOM 151 CB THR A 9 2.424 11.879 9.864 1.00 0.00 C ATOM 152 OG1 THR A 9 3.308 12.323 8.848 1.00 0.00 O ATOM 153 CG2 THR A 9 2.884 12.489 11.170 1.00 0.00 C ATOM 0 H THR A 9 2.042 10.180 7.830 1.00 0.00 H new ATOM 0 HA THR A 9 3.136 9.986 10.577 1.00 0.00 H new ATOM 0 HB THR A 9 1.402 12.204 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.791 12.604 8.064 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.902 13.575 11.078 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.197 12.204 11.967 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.885 12.129 11.407 1.00 0.00 H new ATOM 161 N GLY A 10 -0.059 10.258 9.703 1.00 0.00 N ATOM 162 CA GLY A 10 -1.395 9.858 10.113 1.00 0.00 C ATOM 163 C GLY A 10 -2.495 10.599 9.369 1.00 0.00 C ATOM 164 O GLY A 10 -3.416 11.133 9.989 1.00 0.00 O ATOM 0 H GLY A 10 -0.021 10.826 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.513 8.787 9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.507 10.032 11.183 1.00 0.00 H new ATOM 168 N LYS A 11 -2.406 10.632 8.039 1.00 0.00 N ATOM 169 CA LYS A 11 -3.410 11.312 7.226 1.00 0.00 C ATOM 170 C LYS A 11 -4.600 10.393 6.954 1.00 0.00 C ATOM 171 O LYS A 11 -4.474 9.170 7.012 1.00 0.00 O ATOM 172 CB LYS A 11 -2.801 11.784 5.903 1.00 0.00 C ATOM 173 CG LYS A 11 -3.554 12.942 5.266 1.00 0.00 C ATOM 174 CD LYS A 11 -4.433 12.472 4.118 1.00 0.00 C ATOM 175 CE LYS A 11 -4.545 13.528 3.030 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.774 13.153 1.812 1.00 0.00 N ATOM 0 H LYS A 11 -1.653 10.198 7.506 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.761 12.181 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.767 12.084 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.778 10.948 5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.170 13.435 6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.843 13.683 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.021 11.556 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.427 12.231 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.593 13.669 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.181 14.482 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.676 13.984 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.831 12.814 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.276 12.399 1.302 1.00 0.00 H new ATOM 190 N THR A 12 -5.754 10.985 6.653 1.00 0.00 N ATOM 191 CA THR A 12 -6.955 10.209 6.368 1.00 0.00 C ATOM 192 C THR A 12 -7.229 10.165 4.864 1.00 0.00 C ATOM 193 O THR A 12 -7.621 11.167 4.267 1.00 0.00 O ATOM 194 CB THR A 12 -8.161 10.792 7.117 1.00 0.00 C ATOM 195 OG1 THR A 12 -9.269 9.905 7.061 1.00 0.00 O ATOM 196 CG2 THR A 12 -8.618 12.136 6.586 1.00 0.00 C ATOM 0 H THR A 12 -5.881 11.996 6.601 1.00 0.00 H new ATOM 0 HA THR A 12 -6.792 9.188 6.714 1.00 0.00 H new ATOM 0 HB THR A 12 -7.816 10.929 8.142 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.026 10.296 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.474 12.484 7.165 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.805 12.857 6.671 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.905 12.035 5.539 1.00 0.00 H new ATOM 204 N ILE A 13 -7.015 9.000 4.255 1.00 0.00 N ATOM 205 CA ILE A 13 -7.236 8.838 2.823 1.00 0.00 C ATOM 206 C ILE A 13 -8.194 7.683 2.538 1.00 0.00 C ATOM 207 O ILE A 13 -8.511 6.895 3.430 1.00 0.00 O ATOM 208 CB ILE A 13 -5.912 8.589 2.075 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.217 7.342 2.625 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.003 9.803 2.190 1.00 0.00 C ATOM 211 CD1 ILE A 13 -4.563 6.494 1.556 1.00 0.00 C ATOM 0 H ILE A 13 -6.690 8.158 4.731 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.678 9.768 2.465 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.133 8.423 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.461 7.647 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.947 6.736 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.072 9.612 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.499 10.671 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.786 9.997 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.090 5.627 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.318 6.159 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.809 7.084 1.034 1.00 0.00 H new ATOM 223 N THR A 14 -8.650 7.583 1.290 1.00 0.00 N ATOM 224 CA THR A 14 -9.567 6.520 0.896 1.00 0.00 C ATOM 225 C THR A 14 -8.847 5.467 0.056 1.00 0.00 C ATOM 226 O THR A 14 -7.797 5.740 -0.525 1.00 0.00 O ATOM 227 CB THR A 14 -10.747 7.100 0.110 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.905 8.484 0.381 1.00 0.00 O ATOM 229 CG2 THR A 14 -12.063 6.415 0.415 1.00 0.00 C ATOM 0 H THR A 14 -8.399 8.225 0.538 1.00 0.00 H new ATOM 0 HA THR A 14 -9.944 6.043 1.801 1.00 0.00 H new ATOM 0 HB THR A 14 -10.504 6.933 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.663 8.833 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.857 6.874 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.989 5.357 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.291 6.521 1.476 1.00 0.00 H new ATOM 237 N LEU A 15 -9.414 4.263 -0.006 1.00 0.00 N ATOM 238 CA LEU A 15 -8.813 3.180 -0.777 1.00 0.00 C ATOM 239 C LEU A 15 -9.877 2.400 -1.549 1.00 0.00 C ATOM 240 O LEU A 15 -10.745 1.763 -0.953 1.00 0.00 O ATOM 241 CB LEU A 15 -8.042 2.235 0.148 1.00 0.00 C ATOM 242 CG LEU A 15 -6.760 1.650 -0.446 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.060 0.914 -1.742 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.734 2.749 -0.681 1.00 0.00 C ATOM 0 H LEU A 15 -10.284 4.015 0.466 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.122 3.621 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.788 2.773 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.700 1.414 0.433 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.344 0.936 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.136 0.505 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.761 0.103 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.499 1.606 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.827 2.316 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.142 3.485 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.497 3.234 0.266 1.00 0.00 H new ATOM 256 N GLU A 16 -9.804 2.450 -2.879 1.00 0.00 N ATOM 257 CA GLU A 16 -10.761 1.743 -3.722 1.00 0.00 C ATOM 258 C GLU A 16 -10.157 0.445 -4.255 1.00 0.00 C ATOM 259 O GLU A 16 -8.945 0.351 -4.449 1.00 0.00 O ATOM 260 CB GLU A 16 -11.203 2.631 -4.888 1.00 0.00 C ATOM 261 CG GLU A 16 -11.784 3.965 -4.448 1.00 0.00 C ATOM 262 CD GLU A 16 -11.312 5.119 -5.312 1.00 0.00 C ATOM 263 OE1 GLU A 16 -10.123 5.490 -5.209 1.00 0.00 O ATOM 264 OE2 GLU A 16 -12.130 5.652 -6.090 1.00 0.00 O ATOM 0 H GLU A 16 -9.093 2.972 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.632 1.497 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.349 2.813 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.947 2.097 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.872 3.912 -4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.506 4.154 -3.411 1.00 0.00 H new ATOM 271 N VAL A 17 -11.005 -0.555 -4.490 1.00 0.00 N ATOM 272 CA VAL A 17 -10.540 -1.841 -4.998 1.00 0.00 C ATOM 273 C VAL A 17 -11.500 -2.407 -6.043 1.00 0.00 C ATOM 274 O VAL A 17 -12.712 -2.204 -5.958 1.00 0.00 O ATOM 275 CB VAL A 17 -10.376 -2.867 -3.861 1.00 0.00 C ATOM 276 CG1 VAL A 17 -9.748 -4.150 -4.385 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.545 -2.281 -2.730 1.00 0.00 C ATOM 0 H VAL A 17 -12.012 -0.499 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.570 -1.662 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.364 -3.108 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.640 -4.863 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.386 -4.578 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.767 -3.929 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.439 -3.020 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.559 -2.009 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.040 -1.393 -2.337 1.00 0.00 H new ATOM 287 N GLU A 18 -10.952 -3.120 -7.025 1.00 0.00 N ATOM 288 CA GLU A 18 -11.763 -3.716 -8.080 1.00 0.00 C ATOM 289 C GLU A 18 -11.856 -5.232 -7.902 1.00 0.00 C ATOM 290 O GLU A 18 -11.084 -5.824 -7.150 1.00 0.00 O ATOM 291 CB GLU A 18 -11.176 -3.382 -9.454 1.00 0.00 C ATOM 292 CG GLU A 18 -12.071 -2.487 -10.296 1.00 0.00 C ATOM 293 CD GLU A 18 -12.243 -1.105 -9.696 1.00 0.00 C ATOM 294 OE1 GLU A 18 -12.875 -0.997 -8.625 1.00 0.00 O ATOM 295 OE2 GLU A 18 -11.743 -0.131 -10.297 1.00 0.00 O ATOM 0 H GLU A 18 -9.951 -3.298 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.768 -3.299 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.211 -2.893 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.990 -4.309 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.649 -2.395 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.049 -2.956 -10.405 1.00 0.00 H new ATOM 302 N PRO A 19 -12.810 -5.878 -8.594 1.00 0.00 N ATOM 303 CA PRO A 19 -13.004 -7.330 -8.507 1.00 0.00 C ATOM 304 C PRO A 19 -11.743 -8.112 -8.870 1.00 0.00 C ATOM 305 O PRO A 19 -11.268 -8.935 -8.088 1.00 0.00 O ATOM 306 CB PRO A 19 -14.115 -7.609 -9.525 1.00 0.00 C ATOM 307 CG PRO A 19 -14.822 -6.310 -9.688 1.00 0.00 C ATOM 308 CD PRO A 19 -13.776 -5.246 -9.510 1.00 0.00 C ATOM 0 HA PRO A 19 -13.250 -7.642 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.704 -7.956 -10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.792 -8.385 -9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.287 -6.239 -10.671 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.617 -6.203 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.313 -4.973 -10.458 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.196 -4.334 -9.086 1.00 0.00 H new ATOM 316 N SER A 20 -11.205 -7.855 -10.063 1.00 0.00 N ATOM 317 CA SER A 20 -10.001 -8.545 -10.524 1.00 0.00 C ATOM 318 C SER A 20 -8.717 -7.809 -10.115 1.00 0.00 C ATOM 319 O SER A 20 -7.629 -8.175 -10.558 1.00 0.00 O ATOM 320 CB SER A 20 -10.036 -8.715 -12.045 1.00 0.00 C ATOM 321 OG SER A 20 -11.222 -9.371 -12.457 1.00 0.00 O ATOM 0 H SER A 20 -11.583 -7.177 -10.725 1.00 0.00 H new ATOM 0 HA SER A 20 -9.989 -9.524 -10.044 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.971 -7.738 -12.525 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.168 -9.288 -12.370 1.00 0.00 H new ATOM 0 HG SER A 20 -11.221 -9.466 -13.432 1.00 0.00 H new ATOM 327 N ASP A 21 -8.834 -6.776 -9.277 1.00 0.00 N ATOM 328 CA ASP A 21 -7.661 -6.023 -8.840 1.00 0.00 C ATOM 329 C ASP A 21 -6.858 -6.814 -7.808 1.00 0.00 C ATOM 330 O ASP A 21 -7.360 -7.128 -6.729 1.00 0.00 O ATOM 331 CB ASP A 21 -8.075 -4.672 -8.250 1.00 0.00 C ATOM 332 CG ASP A 21 -6.903 -3.723 -8.101 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.068 -3.661 -9.027 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.820 -3.041 -7.058 1.00 0.00 O ATOM 0 H ASP A 21 -9.719 -6.446 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.032 -5.850 -9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.830 -4.215 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.537 -4.830 -7.275 1.00 0.00 H new ATOM 339 N THR A 22 -5.608 -7.134 -8.144 1.00 0.00 N ATOM 340 CA THR A 22 -4.746 -7.887 -7.237 1.00 0.00 C ATOM 341 C THR A 22 -4.051 -6.953 -6.248 1.00 0.00 C ATOM 342 O THR A 22 -4.038 -5.736 -6.437 1.00 0.00 O ATOM 343 CB THR A 22 -3.699 -8.686 -8.023 1.00 0.00 C ATOM 344 OG1 THR A 22 -2.625 -7.853 -8.433 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.262 -9.360 -9.259 1.00 0.00 C ATOM 0 H THR A 22 -5.173 -6.885 -9.032 1.00 0.00 H new ATOM 0 HA THR A 22 -5.374 -8.582 -6.679 1.00 0.00 H new ATOM 0 HB THR A 22 -3.353 -9.457 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.932 -7.247 -9.140 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.469 -9.908 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.052 -10.052 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.670 -8.605 -9.931 1.00 0.00 H new ATOM 353 N ILE A 23 -3.475 -7.526 -5.191 1.00 0.00 N ATOM 354 CA ILE A 23 -2.784 -6.732 -4.178 1.00 0.00 C ATOM 355 C ILE A 23 -1.649 -5.914 -4.794 1.00 0.00 C ATOM 356 O ILE A 23 -1.442 -4.756 -4.429 1.00 0.00 O ATOM 357 CB ILE A 23 -2.216 -7.618 -3.047 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.630 -6.748 -1.933 1.00 0.00 C ATOM 359 CG2 ILE A 23 -1.164 -8.574 -3.590 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.681 -6.068 -1.081 1.00 0.00 C ATOM 0 H ILE A 23 -3.473 -8.531 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.525 -6.055 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.031 -8.210 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.000 -7.366 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.986 -5.988 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.777 -9.189 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.612 -9.216 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.348 -8.003 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.194 -5.468 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.297 -5.423 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.310 -6.822 -0.608 1.00 0.00 H new ATOM 372 N GLU A 24 -0.916 -6.516 -5.731 1.00 0.00 N ATOM 373 CA GLU A 24 0.194 -5.827 -6.389 1.00 0.00 C ATOM 374 C GLU A 24 -0.292 -4.564 -7.100 1.00 0.00 C ATOM 375 O GLU A 24 0.391 -3.539 -7.096 1.00 0.00 O ATOM 376 CB GLU A 24 0.889 -6.754 -7.392 1.00 0.00 C ATOM 377 CG GLU A 24 2.396 -6.569 -7.447 1.00 0.00 C ATOM 378 CD GLU A 24 2.802 -5.317 -8.199 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.714 -5.317 -9.445 1.00 0.00 O ATOM 380 OE2 GLU A 24 3.208 -4.335 -7.542 1.00 0.00 O ATOM 0 H GLU A 24 -1.069 -7.473 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 24 0.910 -5.540 -5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.668 -7.789 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.473 -6.579 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.790 -6.523 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.848 -7.438 -7.925 1.00 0.00 H new ATOM 387 N ASN A 25 -1.474 -4.641 -7.712 1.00 0.00 N ATOM 388 CA ASN A 25 -2.042 -3.497 -8.424 1.00 0.00 C ATOM 389 C ASN A 25 -2.313 -2.325 -7.476 1.00 0.00 C ATOM 390 O ASN A 25 -2.367 -1.174 -7.909 1.00 0.00 O ATOM 391 CB ASN A 25 -3.337 -3.896 -9.138 1.00 0.00 C ATOM 392 CG ASN A 25 -3.078 -4.605 -10.454 1.00 0.00 C ATOM 393 OD1 ASN A 25 -3.153 -5.831 -10.534 1.00 0.00 O ATOM 394 ND2 ASN A 25 -2.770 -3.838 -11.499 1.00 0.00 N ATOM 0 H ASN A 25 -2.054 -5.480 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.309 -3.176 -9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.922 -4.546 -8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.937 -3.005 -9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.586 -4.264 -12.407 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.718 -2.825 -11.391 1.00 0.00 H new ATOM 401 N VAL A 26 -2.485 -2.615 -6.185 1.00 0.00 N ATOM 402 CA VAL A 26 -2.749 -1.567 -5.202 1.00 0.00 C ATOM 403 C VAL A 26 -1.567 -0.604 -5.095 1.00 0.00 C ATOM 404 O VAL A 26 -1.755 0.607 -4.967 1.00 0.00 O ATOM 405 CB VAL A 26 -3.047 -2.153 -3.805 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.441 -1.051 -2.833 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.139 -3.210 -3.891 1.00 0.00 C ATOM 0 H VAL A 26 -2.446 -3.559 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.629 -1.027 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.140 -2.627 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.647 -1.485 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.625 -0.333 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.333 -0.544 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.336 -3.612 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.050 -2.761 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.815 -4.015 -4.550 1.00 0.00 H new ATOM 417 N LYS A 27 -0.349 -1.142 -5.148 1.00 0.00 N ATOM 418 CA LYS A 27 0.855 -0.317 -5.057 1.00 0.00 C ATOM 419 C LYS A 27 0.878 0.753 -6.151 1.00 0.00 C ATOM 420 O LYS A 27 1.330 1.875 -5.921 1.00 0.00 O ATOM 421 CB LYS A 27 2.114 -1.185 -5.156 1.00 0.00 C ATOM 422 CG LYS A 27 3.283 -0.654 -4.344 1.00 0.00 C ATOM 423 CD LYS A 27 4.063 -1.782 -3.687 1.00 0.00 C ATOM 424 CE LYS A 27 5.365 -1.281 -3.081 1.00 0.00 C ATOM 425 NZ LYS A 27 6.192 -0.545 -4.076 1.00 0.00 N ATOM 0 H LYS A 27 -0.170 -2.141 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 27 0.840 0.180 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.877 -2.194 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.413 -1.260 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.946 -0.080 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.915 0.029 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.453 -2.243 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.278 -2.555 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.145 -0.627 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.933 -2.126 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.178 -0.870 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.826 -0.725 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.150 0.475 -3.876 1.00 0.00 H new ATOM 439 N ALA A 28 0.395 0.402 -7.344 1.00 0.00 N ATOM 440 CA ALA A 28 0.373 1.343 -8.461 1.00 0.00 C ATOM 441 C ALA A 28 -0.619 2.479 -8.215 1.00 0.00 C ATOM 442 O ALA A 28 -0.309 3.646 -8.455 1.00 0.00 O ATOM 443 CB ALA A 28 0.036 0.624 -9.761 1.00 0.00 C ATOM 0 H ALA A 28 0.017 -0.521 -7.559 1.00 0.00 H new ATOM 0 HA ALA A 28 1.369 1.777 -8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.024 1.342 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.787 -0.141 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.945 0.156 -9.674 1.00 0.00 H new ATOM 449 N LYS A 29 -1.816 2.135 -7.742 1.00 0.00 N ATOM 450 CA LYS A 29 -2.846 3.138 -7.475 1.00 0.00 C ATOM 451 C LYS A 29 -2.533 3.941 -6.212 1.00 0.00 C ATOM 452 O LYS A 29 -2.749 5.150 -6.173 1.00 0.00 O ATOM 453 CB LYS A 29 -4.222 2.477 -7.343 1.00 0.00 C ATOM 454 CG LYS A 29 -4.358 1.593 -6.114 1.00 0.00 C ATOM 455 CD LYS A 29 -5.748 0.986 -6.015 1.00 0.00 C ATOM 456 CE LYS A 29 -6.070 0.126 -7.226 1.00 0.00 C ATOM 457 NZ LYS A 29 -6.812 0.889 -8.267 1.00 0.00 N ATOM 0 H LYS A 29 -2.096 1.176 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.859 3.825 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.987 3.253 -7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.415 1.879 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.614 0.797 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.151 2.179 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.819 0.382 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.488 1.782 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.145 -0.263 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.663 -0.733 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.801 0.570 -8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.781 1.904 -8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.372 0.727 -9.195 1.00 0.00 H new ATOM 471 N ILE A 30 -2.032 3.267 -5.178 1.00 0.00 N ATOM 472 CA ILE A 30 -1.705 3.938 -3.922 1.00 0.00 C ATOM 473 C ILE A 30 -0.569 4.950 -4.107 1.00 0.00 C ATOM 474 O ILE A 30 -0.573 6.015 -3.490 1.00 0.00 O ATOM 475 CB ILE A 30 -1.324 2.923 -2.819 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.370 3.584 -1.436 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.048 2.319 -3.086 1.00 0.00 C ATOM 478 CD1 ILE A 30 -0.254 4.576 -1.189 1.00 0.00 C ATOM 0 H ILE A 30 -1.845 2.264 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.602 4.472 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.055 2.115 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.327 4.093 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.327 2.808 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.293 1.609 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.038 1.804 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.797 3.111 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.358 4.999 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.708 4.070 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.307 5.375 -1.928 1.00 0.00 H new ATOM 490 N GLN A 31 0.403 4.614 -4.956 1.00 0.00 N ATOM 491 CA GLN A 31 1.537 5.504 -5.210 1.00 0.00 C ATOM 492 C GLN A 31 1.098 6.809 -5.885 1.00 0.00 C ATOM 493 O GLN A 31 1.814 7.809 -5.831 1.00 0.00 O ATOM 494 CB GLN A 31 2.588 4.803 -6.075 1.00 0.00 C ATOM 495 CG GLN A 31 2.110 4.495 -7.485 1.00 0.00 C ATOM 496 CD GLN A 31 3.159 4.805 -8.539 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.094 5.566 -8.291 1.00 0.00 O ATOM 498 NE2 GLN A 31 3.010 4.217 -9.724 1.00 0.00 N ATOM 0 H GLN A 31 0.428 3.737 -5.477 1.00 0.00 H new ATOM 0 HA GLN A 31 1.973 5.754 -4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.477 5.431 -6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.884 3.873 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.836 3.442 -7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.209 5.072 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.220 3.593 -9.888 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.686 4.391 -10.468 1.00 0.00 H new ATOM 507 N ASP A 32 -0.076 6.801 -6.525 1.00 0.00 N ATOM 508 CA ASP A 32 -0.584 7.995 -7.207 1.00 0.00 C ATOM 509 C ASP A 32 -0.808 9.172 -6.243 1.00 0.00 C ATOM 510 O ASP A 32 -0.989 10.306 -6.687 1.00 0.00 O ATOM 511 CB ASP A 32 -1.887 7.674 -7.957 1.00 0.00 C ATOM 512 CG ASP A 32 -3.111 7.682 -7.056 1.00 0.00 C ATOM 513 OD1 ASP A 32 -2.943 7.573 -5.823 1.00 0.00 O ATOM 514 OD2 ASP A 32 -4.236 7.798 -7.585 1.00 0.00 O ATOM 0 H ASP A 32 -0.688 5.987 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 32 0.181 8.300 -7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.027 8.401 -8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.796 6.695 -8.428 1.00 0.00 H new ATOM 519 N LYS A 33 -0.812 8.911 -4.933 1.00 0.00 N ATOM 520 CA LYS A 33 -1.033 9.972 -3.955 1.00 0.00 C ATOM 521 C LYS A 33 0.194 10.871 -3.825 1.00 0.00 C ATOM 522 O LYS A 33 0.067 12.094 -3.756 1.00 0.00 O ATOM 523 CB LYS A 33 -1.386 9.379 -2.587 1.00 0.00 C ATOM 524 CG LYS A 33 -2.785 8.789 -2.522 1.00 0.00 C ATOM 525 CD LYS A 33 -3.476 9.138 -1.214 1.00 0.00 C ATOM 526 CE LYS A 33 -4.414 10.323 -1.376 1.00 0.00 C ATOM 527 NZ LYS A 33 -5.386 10.114 -2.484 1.00 0.00 N ATOM 0 H LYS A 33 -0.666 7.985 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.868 10.577 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.662 8.603 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.293 10.156 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.377 9.161 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.729 7.706 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.038 8.275 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.727 9.367 -0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.955 10.488 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.831 11.224 -1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.286 10.578 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.005 10.522 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.546 9.095 -2.618 1.00 0.00 H new ATOM 541 N GLU A 34 1.384 10.272 -3.790 1.00 0.00 N ATOM 542 CA GLU A 34 2.612 11.052 -3.667 1.00 0.00 C ATOM 543 C GLU A 34 3.759 10.437 -4.469 1.00 0.00 C ATOM 544 O GLU A 34 4.499 11.151 -5.148 1.00 0.00 O ATOM 545 CB GLU A 34 3.015 11.183 -2.196 1.00 0.00 C ATOM 546 CG GLU A 34 3.383 9.863 -1.539 1.00 0.00 C ATOM 547 CD GLU A 34 3.732 10.020 -0.073 1.00 0.00 C ATOM 548 OE1 GLU A 34 2.895 10.555 0.684 1.00 0.00 O ATOM 549 OE2 GLU A 34 4.844 9.607 0.320 1.00 0.00 O ATOM 0 H GLU A 34 1.522 9.263 -3.844 1.00 0.00 H new ATOM 0 HA GLU A 34 2.411 12.042 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.863 11.864 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.192 11.636 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.550 9.167 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.230 9.423 -2.065 1.00 0.00 H new ATOM 556 N GLY A 35 3.918 9.117 -4.384 1.00 0.00 N ATOM 557 CA GLY A 35 4.988 8.456 -5.099 1.00 0.00 C ATOM 558 C GLY A 35 6.083 7.996 -4.160 1.00 0.00 C ATOM 559 O GLY A 35 7.188 8.535 -4.177 1.00 0.00 O ATOM 0 H GLY A 35 3.324 8.498 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.589 7.599 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.406 9.137 -5.841 1.00 0.00 H new ATOM 563 N ILE A 36 5.767 7.007 -3.325 1.00 0.00 N ATOM 564 CA ILE A 36 6.729 6.486 -2.354 1.00 0.00 C ATOM 565 C ILE A 36 7.745 5.549 -3.016 1.00 0.00 C ATOM 566 O ILE A 36 7.402 4.442 -3.431 1.00 0.00 O ATOM 567 CB ILE A 36 6.013 5.732 -1.211 1.00 0.00 C ATOM 568 CG1 ILE A 36 7.019 5.296 -0.145 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.252 4.531 -1.756 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.372 4.845 1.145 1.00 0.00 C ATOM 0 H ILE A 36 4.855 6.551 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 36 7.259 7.345 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 36 5.295 6.409 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.627 4.483 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.694 6.125 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.755 4.013 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.507 4.869 -2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.949 3.851 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.144 4.550 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.787 5.663 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.718 3.996 0.947 1.00 0.00 H new ATOM 582 N PRO A 37 9.014 5.992 -3.135 1.00 0.00 N ATOM 583 CA PRO A 37 10.084 5.200 -3.763 1.00 0.00 C ATOM 584 C PRO A 37 10.411 3.888 -3.038 1.00 0.00 C ATOM 585 O PRO A 37 10.649 2.869 -3.689 1.00 0.00 O ATOM 586 CB PRO A 37 11.302 6.134 -3.724 1.00 0.00 C ATOM 587 CG PRO A 37 10.743 7.498 -3.516 1.00 0.00 C ATOM 588 CD PRO A 37 9.508 7.309 -2.688 1.00 0.00 C ATOM 0 HA PRO A 37 9.782 4.885 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.982 5.860 -2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.870 6.079 -4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.461 8.142 -3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.507 7.974 -4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.731 7.317 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.777 8.097 -2.866 1.00 0.00 H new ATOM 596 N PRO A 38 10.458 3.878 -1.688 1.00 0.00 N ATOM 597 CA PRO A 38 10.793 2.666 -0.933 1.00 0.00 C ATOM 598 C PRO A 38 9.766 1.549 -1.107 1.00 0.00 C ATOM 599 O PRO A 38 8.618 1.671 -0.679 1.00 0.00 O ATOM 600 CB PRO A 38 10.845 3.133 0.525 1.00 0.00 C ATOM 601 CG PRO A 38 10.083 4.412 0.561 1.00 0.00 C ATOM 602 CD PRO A 38 10.217 5.031 -0.803 1.00 0.00 C ATOM 0 HA PRO A 38 11.731 2.234 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.401 2.393 1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.874 3.280 0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.036 4.232 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.478 5.077 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.315 5.572 -1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.041 5.743 -0.840 1.00 0.00 H new ATOM 610 N ASP A 39 10.200 0.451 -1.733 1.00 0.00 N ATOM 611 CA ASP A 39 9.336 -0.708 -1.965 1.00 0.00 C ATOM 612 C ASP A 39 8.997 -1.458 -0.668 1.00 0.00 C ATOM 613 O ASP A 39 8.256 -2.440 -0.702 1.00 0.00 O ATOM 614 CB ASP A 39 9.993 -1.673 -2.957 1.00 0.00 C ATOM 615 CG ASP A 39 11.291 -2.251 -2.428 1.00 0.00 C ATOM 616 OD1 ASP A 39 11.243 -3.309 -1.766 1.00 0.00 O ATOM 617 OD2 ASP A 39 12.355 -1.647 -2.675 1.00 0.00 O ATOM 0 H ASP A 39 11.149 0.341 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 39 8.403 -0.326 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.302 -2.485 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.186 -1.151 -3.894 1.00 0.00 H new ATOM 622 N GLN A 40 9.536 -1.014 0.473 1.00 0.00 N ATOM 623 CA GLN A 40 9.268 -1.681 1.744 1.00 0.00 C ATOM 624 C GLN A 40 8.037 -1.100 2.449 1.00 0.00 C ATOM 625 O GLN A 40 7.784 -1.415 3.613 1.00 0.00 O ATOM 626 CB GLN A 40 10.486 -1.578 2.666 1.00 0.00 C ATOM 627 CG GLN A 40 11.651 -2.453 2.235 1.00 0.00 C ATOM 628 CD GLN A 40 12.503 -1.801 1.160 1.00 0.00 C ATOM 629 OE1 GLN A 40 12.631 -2.326 0.055 1.00 0.00 O ATOM 630 NE2 GLN A 40 13.094 -0.651 1.477 1.00 0.00 N ATOM 0 H GLN A 40 10.153 -0.205 0.539 1.00 0.00 H new ATOM 0 HA GLN A 40 9.064 -2.728 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.816 -0.540 2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.190 -1.854 3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.273 -2.676 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.269 -3.404 1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.962 -0.249 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.679 -0.172 0.792 1.00 0.00 H new ATOM 639 N GLN A 41 7.264 -0.265 1.750 1.00 0.00 N ATOM 640 CA GLN A 41 6.063 0.321 2.336 1.00 0.00 C ATOM 641 C GLN A 41 4.855 -0.576 2.076 1.00 0.00 C ATOM 642 O GLN A 41 4.254 -0.523 1.003 1.00 0.00 O ATOM 643 CB GLN A 41 5.813 1.719 1.763 1.00 0.00 C ATOM 644 CG GLN A 41 4.566 2.390 2.317 1.00 0.00 C ATOM 645 CD GLN A 41 3.548 2.717 1.237 1.00 0.00 C ATOM 646 OE1 GLN A 41 2.980 3.920 1.292 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 3.275 1.896 0.360 1.00 0.00 N flip ATOM 0 H GLN A 41 7.448 0.016 0.787 1.00 0.00 H new ATOM 0 HA GLN A 41 6.212 0.408 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.678 2.348 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.726 1.648 0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.106 1.737 3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.850 3.307 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.733 0.985 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.591 2.127 -0.360 1.00 0.00 H new ATOM 656 N ARG A 42 4.509 -1.409 3.057 1.00 0.00 N ATOM 657 CA ARG A 42 3.378 -2.321 2.916 1.00 0.00 C ATOM 658 C ARG A 42 2.492 -2.297 4.159 1.00 0.00 C ATOM 659 O ARG A 42 2.739 -1.536 5.094 1.00 0.00 O ATOM 660 CB ARG A 42 3.878 -3.746 2.661 1.00 0.00 C ATOM 661 CG ARG A 42 4.996 -3.826 1.634 1.00 0.00 C ATOM 662 CD ARG A 42 6.363 -3.892 2.296 1.00 0.00 C ATOM 663 NE ARG A 42 6.574 -5.158 2.999 1.00 0.00 N ATOM 664 CZ ARG A 42 6.410 -5.322 4.312 1.00 0.00 C ATOM 665 NH1 ARG A 42 6.022 -4.308 5.077 1.00 0.00 N ATOM 666 NH2 ARG A 42 6.634 -6.507 4.864 1.00 0.00 N ATOM 0 H ARG A 42 4.993 -1.470 3.953 1.00 0.00 H new ATOM 0 HA ARG A 42 2.783 -1.990 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.229 -4.172 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.043 -4.360 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.852 -4.706 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.951 -2.957 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.138 -3.764 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.465 -3.066 3.000 1.00 0.00 H new ATOM 0 HE ARG A 42 6.865 -5.967 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.847 -3.393 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.899 -4.444 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.931 -7.292 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.509 -6.634 5.868 1.00 0.00 H new ATOM 680 N LEU A 43 1.455 -3.135 4.161 1.00 0.00 N ATOM 681 CA LEU A 43 0.533 -3.207 5.289 1.00 0.00 C ATOM 682 C LEU A 43 0.873 -4.387 6.197 1.00 0.00 C ATOM 683 O LEU A 43 1.277 -5.448 5.722 1.00 0.00 O ATOM 684 CB LEU A 43 -0.907 -3.335 4.787 1.00 0.00 C ATOM 685 CG LEU A 43 -1.971 -3.426 5.884 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.648 -2.080 6.084 1.00 0.00 C ATOM 687 CD2 LEU A 43 -2.998 -4.496 5.545 1.00 0.00 C ATOM 0 H LEU A 43 1.235 -3.771 3.395 1.00 0.00 H new ATOM 0 HA LEU A 43 0.631 -2.288 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.132 -2.477 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.979 -4.222 4.158 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.480 -3.705 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.401 -2.164 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.904 -1.338 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.125 -1.771 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.746 -4.546 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.484 -4.248 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.501 -5.462 5.454 1.00 0.00 H new ATOM 699 N ILE A 44 0.705 -4.199 7.505 1.00 0.00 N ATOM 700 CA ILE A 44 0.995 -5.253 8.470 1.00 0.00 C ATOM 701 C ILE A 44 -0.291 -5.857 9.028 1.00 0.00 C ATOM 702 O ILE A 44 -0.872 -5.329 9.977 1.00 0.00 O ATOM 703 CB ILE A 44 1.851 -4.725 9.637 1.00 0.00 C ATOM 704 CG1 ILE A 44 3.054 -3.945 9.106 1.00 0.00 C ATOM 705 CG2 ILE A 44 2.306 -5.876 10.523 1.00 0.00 C ATOM 706 CD1 ILE A 44 4.031 -4.799 8.325 1.00 0.00 C ATOM 0 H ILE A 44 0.370 -3.328 7.918 1.00 0.00 H new ATOM 0 HA ILE A 44 1.554 -6.024 7.939 1.00 0.00 H new ATOM 0 HB ILE A 44 1.242 -4.049 10.237 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.699 -3.136 8.467 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.576 -3.483 9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.910 -5.487 11.343 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.434 -6.391 10.927 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.900 -6.575 9.935 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.859 -4.180 7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.414 -5.592 8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.524 -5.240 7.467 1.00 0.00 H new ATOM 718 N PHE A 45 -0.734 -6.965 8.435 1.00 0.00 N ATOM 719 CA PHE A 45 -1.955 -7.631 8.882 1.00 0.00 C ATOM 720 C PHE A 45 -1.893 -9.134 8.610 1.00 0.00 C ATOM 721 O PHE A 45 -1.698 -9.558 7.470 1.00 0.00 O ATOM 722 CB PHE A 45 -3.174 -7.025 8.187 1.00 0.00 C ATOM 723 CG PHE A 45 -4.467 -7.286 8.907 1.00 0.00 C ATOM 724 CD1 PHE A 45 -5.162 -8.467 8.702 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.985 -6.351 9.788 1.00 0.00 C ATOM 726 CE1 PHE A 45 -6.351 -8.710 9.363 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.173 -6.589 10.452 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.858 -7.770 10.239 1.00 0.00 C ATOM 0 H PHE A 45 -0.268 -7.418 7.648 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.045 -7.481 9.958 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.031 -5.949 8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.243 -7.427 7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.770 -9.206 8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.454 -5.426 9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.884 -9.634 9.195 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.566 -5.852 11.137 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.787 -7.958 10.756 1.00 0.00 H new ATOM 738 N ALA A 46 -2.058 -9.936 9.660 1.00 0.00 N ATOM 739 CA ALA A 46 -2.021 -11.388 9.525 1.00 0.00 C ATOM 740 C ALA A 46 -0.692 -11.859 8.929 1.00 0.00 C ATOM 741 O ALA A 46 -0.652 -12.849 8.198 1.00 0.00 O ATOM 742 CB ALA A 46 -3.186 -11.865 8.670 1.00 0.00 C ATOM 0 H ALA A 46 -2.218 -9.604 10.611 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.111 -11.822 10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.148 -12.950 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.125 -11.574 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.120 -11.413 7.680 1.00 0.00 H new ATOM 748 N GLY A 47 0.395 -11.150 9.245 1.00 0.00 N ATOM 749 CA GLY A 47 1.703 -11.520 8.729 1.00 0.00 C ATOM 750 C GLY A 47 1.690 -11.829 7.240 1.00 0.00 C ATOM 751 O GLY A 47 2.407 -12.719 6.782 1.00 0.00 O ATOM 0 H GLY A 47 0.390 -10.328 9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.405 -10.709 8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.068 -12.392 9.272 1.00 0.00 H new ATOM 755 N LYS A 48 0.876 -11.096 6.480 1.00 0.00 N ATOM 756 CA LYS A 48 0.784 -11.309 5.039 1.00 0.00 C ATOM 757 C LYS A 48 1.398 -10.138 4.273 1.00 0.00 C ATOM 758 O LYS A 48 1.025 -8.984 4.486 1.00 0.00 O ATOM 759 CB LYS A 48 -0.676 -11.501 4.625 1.00 0.00 C ATOM 760 CG LYS A 48 -1.037 -12.947 4.324 1.00 0.00 C ATOM 761 CD LYS A 48 -2.078 -13.480 5.295 1.00 0.00 C ATOM 762 CE LYS A 48 -2.200 -14.992 5.209 1.00 0.00 C ATOM 763 NZ LYS A 48 -3.605 -15.448 5.397 1.00 0.00 N ATOM 0 H LYS A 48 0.275 -10.354 6.838 1.00 0.00 H new ATOM 0 HA LYS A 48 1.345 -12.210 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.322 -11.132 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.878 -10.893 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.417 -13.023 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.140 -13.565 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.809 -13.193 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.044 -13.024 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.835 -15.331 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.565 -15.451 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.620 -16.479 5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.013 -14.981 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.165 -15.203 4.556 1.00 0.00 H new ATOM 777 N GLN A 49 2.338 -10.439 3.379 1.00 0.00 N ATOM 778 CA GLN A 49 2.993 -9.405 2.583 1.00 0.00 C ATOM 779 C GLN A 49 2.221 -9.145 1.290 1.00 0.00 C ATOM 780 O GLN A 49 1.585 -10.048 0.748 1.00 0.00 O ATOM 781 CB GLN A 49 4.435 -9.807 2.262 1.00 0.00 C ATOM 782 CG GLN A 49 5.465 -9.141 3.161 1.00 0.00 C ATOM 783 CD GLN A 49 6.852 -9.739 3.000 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.295 -10.015 1.885 1.00 0.00 O ATOM 785 NE2 GLN A 49 7.550 -9.944 4.116 1.00 0.00 N ATOM 0 H GLN A 49 2.662 -11.387 3.189 1.00 0.00 H new ATOM 0 HA GLN A 49 3.007 -8.486 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.531 -10.889 2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.652 -9.554 1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.504 -8.075 2.936 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.151 -9.236 4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.147 -9.702 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.487 -10.343 4.065 1.00 0.00 H new ATOM 794 N LEU A 50 2.280 -7.905 0.800 1.00 0.00 N ATOM 795 CA LEU A 50 1.581 -7.534 -0.432 1.00 0.00 C ATOM 796 C LEU A 50 2.345 -7.953 -1.698 1.00 0.00 C ATOM 797 O LEU A 50 2.010 -7.503 -2.794 1.00 0.00 O ATOM 798 CB LEU A 50 1.314 -6.026 -0.464 1.00 0.00 C ATOM 799 CG LEU A 50 2.557 -5.142 -0.584 1.00 0.00 C ATOM 800 CD1 LEU A 50 3.035 -5.080 -2.026 1.00 0.00 C ATOM 801 CD2 LEU A 50 2.264 -3.743 -0.060 1.00 0.00 C ATOM 0 H LEU A 50 2.802 -7.144 1.235 1.00 0.00 H new ATOM 0 HA LEU A 50 0.635 -8.076 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.652 -5.809 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.779 -5.750 0.444 1.00 0.00 H new ATOM 0 HG LEU A 50 3.351 -5.581 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.920 -4.446 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.282 -6.084 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.246 -4.665 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.158 -3.126 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.455 -3.299 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.969 -3.801 0.988 1.00 0.00 H new ATOM 813 N GLU A 51 3.365 -8.807 -1.565 1.00 0.00 N ATOM 814 CA GLU A 51 4.133 -9.245 -2.728 1.00 0.00 C ATOM 815 C GLU A 51 3.377 -10.324 -3.501 1.00 0.00 C ATOM 816 O GLU A 51 3.326 -10.293 -4.730 1.00 0.00 O ATOM 817 CB GLU A 51 5.510 -9.768 -2.304 1.00 0.00 C ATOM 818 CG GLU A 51 5.456 -11.049 -1.485 1.00 0.00 C ATOM 819 CD GLU A 51 6.833 -11.571 -1.127 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.631 -11.826 -2.054 1.00 0.00 O ATOM 821 OE2 GLU A 51 7.115 -11.725 0.079 1.00 0.00 O ATOM 0 H GLU A 51 3.672 -9.202 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 51 4.274 -8.384 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.112 -9.943 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.018 -8.998 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.891 -10.867 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.917 -11.812 -2.046 1.00 0.00 H new ATOM 828 N ASP A 52 2.776 -11.272 -2.776 1.00 0.00 N ATOM 829 CA ASP A 52 2.014 -12.343 -3.395 1.00 0.00 C ATOM 830 C ASP A 52 1.056 -11.774 -4.425 1.00 0.00 C ATOM 831 O ASP A 52 0.176 -10.982 -4.093 1.00 0.00 O ATOM 832 CB ASP A 52 1.235 -13.136 -2.340 1.00 0.00 C ATOM 833 CG ASP A 52 2.148 -13.861 -1.371 1.00 0.00 C ATOM 834 OD1 ASP A 52 2.628 -14.962 -1.716 1.00 0.00 O ATOM 835 OD2 ASP A 52 2.383 -13.328 -0.266 1.00 0.00 O ATOM 0 H ASP A 52 2.807 -11.313 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 52 2.712 -13.018 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.586 -12.458 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.589 -13.860 -2.837 1.00 0.00 H new ATOM 840 N GLY A 53 1.234 -12.172 -5.673 1.00 0.00 N ATOM 841 CA GLY A 53 0.372 -11.682 -6.737 1.00 0.00 C ATOM 842 C GLY A 53 -1.054 -12.203 -6.636 1.00 0.00 C ATOM 843 O GLY A 53 -1.608 -12.689 -7.622 1.00 0.00 O ATOM 0 H GLY A 53 1.958 -12.825 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.357 -10.592 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.792 -11.973 -7.700 1.00 0.00 H new ATOM 847 N ARG A 54 -1.659 -12.099 -5.449 1.00 0.00 N ATOM 848 CA ARG A 54 -3.027 -12.560 -5.247 1.00 0.00 C ATOM 849 C ARG A 54 -3.978 -11.372 -5.105 1.00 0.00 C ATOM 850 O ARG A 54 -3.577 -10.224 -5.293 1.00 0.00 O ATOM 851 CB ARG A 54 -3.106 -13.455 -4.007 1.00 0.00 C ATOM 852 CG ARG A 54 -3.699 -14.827 -4.285 1.00 0.00 C ATOM 853 CD ARG A 54 -2.616 -15.888 -4.418 1.00 0.00 C ATOM 854 NE ARG A 54 -1.782 -15.685 -5.603 1.00 0.00 N ATOM 855 CZ ARG A 54 -1.057 -16.648 -6.173 1.00 0.00 C ATOM 856 NH1 ARG A 54 -1.057 -17.876 -5.669 1.00 0.00 N ATOM 857 NH2 ARG A 54 -0.328 -16.382 -7.249 1.00 0.00 N ATOM 0 H ARG A 54 -1.221 -11.700 -4.619 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.329 -13.141 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.105 -13.578 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.706 -12.956 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.380 -15.100 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.288 -14.791 -5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.987 -15.876 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.080 -16.873 -4.467 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.754 -14.753 -6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.614 -18.087 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.500 -18.608 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.322 -15.440 -7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.226 -17.119 -7.684 1.00 0.00 H new ATOM 871 N THR A 55 -5.236 -11.647 -4.765 1.00 0.00 N ATOM 872 CA THR A 55 -6.224 -10.589 -4.595 1.00 0.00 C ATOM 873 C THR A 55 -6.398 -10.248 -3.117 1.00 0.00 C ATOM 874 O THR A 55 -6.513 -11.141 -2.278 1.00 0.00 O ATOM 875 CB THR A 55 -7.566 -11.011 -5.197 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.513 -9.962 -5.094 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.161 -12.233 -4.533 1.00 0.00 C ATOM 0 H THR A 55 -5.592 -12.589 -4.603 1.00 0.00 H new ATOM 0 HA THR A 55 -5.867 -9.701 -5.117 1.00 0.00 H new ATOM 0 HB THR A 55 -7.353 -11.251 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.364 -10.250 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.111 -12.478 -5.007 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.475 -13.074 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.326 -12.028 -3.475 1.00 0.00 H new ATOM 885 N LEU A 56 -6.415 -8.956 -2.800 1.00 0.00 N ATOM 886 CA LEU A 56 -6.574 -8.514 -1.414 1.00 0.00 C ATOM 887 C LEU A 56 -7.792 -9.171 -0.759 1.00 0.00 C ATOM 888 O LEU A 56 -7.780 -9.462 0.436 1.00 0.00 O ATOM 889 CB LEU A 56 -6.703 -6.990 -1.344 1.00 0.00 C ATOM 890 CG LEU A 56 -7.819 -6.392 -2.204 1.00 0.00 C ATOM 891 CD1 LEU A 56 -9.086 -6.210 -1.381 1.00 0.00 C ATOM 892 CD2 LEU A 56 -7.375 -5.067 -2.811 1.00 0.00 C ATOM 0 H LEU A 56 -6.321 -8.200 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.682 -8.820 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.872 -6.703 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.755 -6.546 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.036 -7.084 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.869 -5.784 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.413 -7.177 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.884 -5.539 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.181 -4.657 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.129 -4.366 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.496 -5.229 -3.435 1.00 0.00 H new ATOM 904 N SER A 57 -8.843 -9.402 -1.547 1.00 0.00 N ATOM 905 CA SER A 57 -10.060 -10.024 -1.029 1.00 0.00 C ATOM 906 C SER A 57 -9.783 -11.428 -0.488 1.00 0.00 C ATOM 907 O SER A 57 -10.398 -11.854 0.490 1.00 0.00 O ATOM 908 CB SER A 57 -11.137 -10.089 -2.117 1.00 0.00 C ATOM 909 OG SER A 57 -12.170 -10.992 -1.760 1.00 0.00 O ATOM 0 H SER A 57 -8.876 -9.169 -2.540 1.00 0.00 H new ATOM 0 HA SER A 57 -10.420 -9.406 -0.207 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.557 -9.096 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.687 -10.400 -3.060 1.00 0.00 H new ATOM 0 HG SER A 57 -12.845 -11.014 -2.470 1.00 0.00 H new ATOM 915 N ASP A 58 -8.862 -12.153 -1.128 1.00 0.00 N ATOM 916 CA ASP A 58 -8.527 -13.513 -0.695 1.00 0.00 C ATOM 917 C ASP A 58 -8.145 -13.555 0.788 1.00 0.00 C ATOM 918 O ASP A 58 -8.394 -14.552 1.465 1.00 0.00 O ATOM 919 CB ASP A 58 -7.385 -14.085 -1.540 1.00 0.00 C ATOM 920 CG ASP A 58 -7.887 -14.825 -2.764 1.00 0.00 C ATOM 921 OD1 ASP A 58 -8.981 -15.424 -2.688 1.00 0.00 O ATOM 922 OD2 ASP A 58 -7.187 -14.806 -3.799 1.00 0.00 O ATOM 0 H ASP A 58 -8.339 -11.826 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.418 -14.125 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.727 -13.274 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.788 -14.762 -0.929 1.00 0.00 H new ATOM 927 N TYR A 59 -7.537 -12.478 1.290 1.00 0.00 N ATOM 928 CA TYR A 59 -7.130 -12.424 2.693 1.00 0.00 C ATOM 929 C TYR A 59 -8.153 -11.675 3.556 1.00 0.00 C ATOM 930 O TYR A 59 -7.855 -11.300 4.689 1.00 0.00 O ATOM 931 CB TYR A 59 -5.759 -11.756 2.820 1.00 0.00 C ATOM 932 CG TYR A 59 -4.717 -12.326 1.883 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.627 -11.893 0.567 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.825 -13.299 2.317 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.676 -12.412 -0.292 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.872 -13.823 1.464 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.802 -13.377 0.162 1.00 0.00 C ATOM 938 OH TYR A 59 -1.853 -13.897 -0.689 1.00 0.00 O ATOM 0 H TYR A 59 -7.318 -11.640 0.751 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.073 -13.450 3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.865 -10.689 2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.408 -11.860 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.311 -11.138 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.877 -13.651 3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.618 -12.064 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.185 -14.579 1.816 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.317 -14.565 -0.212 1.00 0.00 H new ATOM 948 N ASN A 60 -9.360 -11.461 3.024 1.00 0.00 N ATOM 949 CA ASN A 60 -10.409 -10.763 3.761 1.00 0.00 C ATOM 950 C ASN A 60 -9.975 -9.353 4.178 1.00 0.00 C ATOM 951 O ASN A 60 -10.529 -8.786 5.120 1.00 0.00 O ATOM 952 CB ASN A 60 -10.807 -11.571 4.999 1.00 0.00 C ATOM 953 CG ASN A 60 -12.311 -11.737 5.122 1.00 0.00 C ATOM 954 OD1 ASN A 60 -13.040 -11.610 4.139 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.786 -12.022 6.333 1.00 0.00 N ATOM 0 H ASN A 60 -9.631 -11.762 2.088 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.266 -10.663 3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.338 -12.554 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.425 -11.076 5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.789 -12.143 6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.147 -12.119 7.122 1.00 0.00 H new ATOM 962 N ILE A 61 -8.995 -8.779 3.476 1.00 0.00 N ATOM 963 CA ILE A 61 -8.523 -7.435 3.794 1.00 0.00 C ATOM 964 C ILE A 61 -9.313 -6.383 3.015 1.00 0.00 C ATOM 965 O ILE A 61 -8.753 -5.652 2.198 1.00 0.00 O ATOM 966 CB ILE A 61 -7.015 -7.279 3.497 1.00 0.00 C ATOM 967 CG1 ILE A 61 -6.520 -5.904 3.954 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.735 -7.487 2.015 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.030 -5.884 5.385 1.00 0.00 C ATOM 0 H ILE A 61 -8.518 -9.222 2.691 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.681 -7.282 4.862 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.473 -8.042 4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.712 -5.581 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.328 -5.181 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.667 -7.373 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.050 -8.489 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.287 -6.749 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.695 -4.879 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.841 -6.176 6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.200 -6.582 5.495 1.00 0.00 H new ATOM 981 N GLN A 62 -10.620 -6.313 3.267 1.00 0.00 N ATOM 982 CA GLN A 62 -11.477 -5.354 2.582 1.00 0.00 C ATOM 983 C GLN A 62 -11.776 -4.145 3.469 1.00 0.00 C ATOM 984 O GLN A 62 -11.313 -4.074 4.608 1.00 0.00 O ATOM 985 CB GLN A 62 -12.786 -6.026 2.155 1.00 0.00 C ATOM 986 CG GLN A 62 -13.658 -6.456 3.324 1.00 0.00 C ATOM 987 CD GLN A 62 -13.967 -7.943 3.310 1.00 0.00 C ATOM 988 OE1 GLN A 62 -15.064 -8.322 2.657 1.00 0.00 O flip ATOM 989 NE2 GLN A 62 -13.227 -8.745 3.878 1.00 0.00 N flip ATOM 0 H GLN A 62 -11.104 -6.908 3.939 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.947 -5.003 1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.350 -5.337 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.555 -6.899 1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.157 -6.202 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.592 -5.895 3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.396 -8.414 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.445 -9.741 3.859 1.00 0.00 H new ATOM 998 N LYS A 63 -12.549 -3.198 2.938 1.00 0.00 N ATOM 999 CA LYS A 63 -12.911 -1.989 3.682 1.00 0.00 C ATOM 1000 C LYS A 63 -13.458 -2.332 5.069 1.00 0.00 C ATOM 1001 O LYS A 63 -13.548 -3.503 5.436 1.00 0.00 O ATOM 1002 CB LYS A 63 -13.946 -1.172 2.900 1.00 0.00 C ATOM 1003 CG LYS A 63 -15.281 -1.879 2.735 1.00 0.00 C ATOM 1004 CD LYS A 63 -16.442 -0.901 2.799 1.00 0.00 C ATOM 1005 CE LYS A 63 -17.775 -1.606 2.609 1.00 0.00 C ATOM 1006 NZ LYS A 63 -18.058 -2.567 3.710 1.00 0.00 N ATOM 0 H LYS A 63 -12.937 -3.243 1.996 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.007 -1.394 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.108 -0.223 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.543 -0.939 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.300 -2.405 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.394 -2.631 3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.434 -0.388 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.320 -0.138 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.573 -0.865 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.773 -2.136 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.061 -3.536 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.324 -2.483 4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.987 -2.354 4.126 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.823 -1.304 5.837 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.360 -1.482 7.188 1.00 0.00 C ATOM 1022 C GLU A 64 -13.312 -2.033 8.164 1.00 0.00 C ATOM 1023 O GLU A 64 -13.233 -1.582 9.306 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.578 -2.410 7.156 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.905 -1.671 7.211 1.00 0.00 C ATOM 1026 CD GLU A 64 -17.502 -1.648 8.605 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.002 -0.879 9.452 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -18.470 -2.399 8.848 1.00 0.00 O ATOM 0 H GLU A 64 -13.755 -0.330 5.543 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.657 -0.497 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.543 -3.011 6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.521 -3.101 7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.761 -0.648 6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.609 -2.144 6.526 1.00 0.00 H new ATOM 1035 N SER A 65 -12.508 -2.999 7.724 1.00 0.00 N ATOM 1036 CA SER A 65 -11.481 -3.579 8.585 1.00 0.00 C ATOM 1037 C SER A 65 -10.425 -2.537 8.946 1.00 0.00 C ATOM 1038 O SER A 65 -10.433 -1.426 8.417 1.00 0.00 O ATOM 1039 CB SER A 65 -10.816 -4.778 7.901 1.00 0.00 C ATOM 1040 OG SER A 65 -11.488 -5.985 8.219 1.00 0.00 O ATOM 0 H SER A 65 -12.547 -3.394 6.784 1.00 0.00 H new ATOM 0 HA SER A 65 -11.965 -3.919 9.501 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.817 -4.631 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.774 -4.846 8.212 1.00 0.00 H new ATOM 0 HG SER A 65 -11.045 -6.734 7.769 1.00 0.00 H new ATOM 1046 N THR A 66 -9.516 -2.898 9.851 1.00 0.00 N ATOM 1047 CA THR A 66 -8.459 -1.986 10.275 1.00 0.00 C ATOM 1048 C THR A 66 -7.166 -2.252 9.506 1.00 0.00 C ATOM 1049 O THR A 66 -6.594 -3.339 9.598 1.00 0.00 O ATOM 1050 CB THR A 66 -8.207 -2.117 11.781 1.00 0.00 C ATOM 1051 OG1 THR A 66 -7.382 -3.237 12.063 1.00 0.00 O ATOM 1052 CG2 THR A 66 -9.478 -2.260 12.594 1.00 0.00 C ATOM 0 H THR A 66 -9.492 -3.812 10.302 1.00 0.00 H new ATOM 0 HA THR A 66 -8.788 -0.970 10.058 1.00 0.00 H new ATOM 0 HB THR A 66 -7.716 -1.188 12.069 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.191 -3.720 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.226 -2.348 13.651 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.107 -1.383 12.443 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.016 -3.152 12.274 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.710 -1.258 8.746 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.486 -1.397 7.964 1.00 0.00 C ATOM 1062 C LEU A 67 -4.360 -0.548 8.553 1.00 0.00 C ATOM 1063 O LEU A 67 -4.458 0.678 8.603 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.739 -0.993 6.509 1.00 0.00 C ATOM 1065 CG LEU A 67 -6.150 -2.139 5.583 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -7.650 -2.376 5.662 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.730 -1.842 4.151 1.00 0.00 C ATOM 0 H LEU A 67 -7.169 -0.351 8.656 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.180 -2.443 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.519 -0.232 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.834 -0.532 6.113 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.642 -3.046 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.925 -3.195 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.924 -2.632 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.178 -1.471 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.030 -2.667 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.211 -0.924 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.648 -1.722 4.107 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.288 -1.205 8.995 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.148 -0.503 9.575 1.00 0.00 C ATOM 1081 C HIS A 68 -0.957 -0.512 8.617 1.00 0.00 C ATOM 1082 O HIS A 68 -0.500 -1.574 8.194 1.00 0.00 O ATOM 1083 CB HIS A 68 -1.755 -1.142 10.910 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.882 -0.214 12.077 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.816 0.138 12.879 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -2.957 0.438 12.578 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -1.231 0.965 13.822 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -2.527 1.164 13.661 1.00 0.00 N ATOM 0 H HIS A 68 -3.187 -2.219 8.962 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.439 0.533 9.750 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.381 -2.018 11.083 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.725 -1.494 10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.966 0.395 12.196 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.615 1.404 14.593 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.113 1.760 14.246 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.456 0.676 8.278 1.00 0.00 N ATOM 1098 CA LEU A 69 0.682 0.794 7.370 1.00 0.00 C ATOM 1099 C LEU A 69 1.972 1.059 8.146 1.00 0.00 C ATOM 1100 O LEU A 69 1.933 1.444 9.315 1.00 0.00 O ATOM 1101 CB LEU A 69 0.439 1.917 6.359 1.00 0.00 C ATOM 1102 CG LEU A 69 -0.018 1.456 4.974 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.108 0.726 4.256 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -1.246 0.565 5.086 1.00 0.00 C ATOM 0 H LEU A 69 -0.820 1.566 8.618 1.00 0.00 H new ATOM 0 HA LEU A 69 0.789 -0.149 6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.312 2.594 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.359 2.491 6.249 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.285 2.336 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.765 0.405 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.961 1.395 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.406 -0.146 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.557 0.247 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.006 -0.311 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.056 1.120 5.559 1.00 0.00 H new ATOM 1116 N VAL A 70 3.114 0.853 7.491 1.00 0.00 N ATOM 1117 CA VAL A 70 4.407 1.074 8.129 1.00 0.00 C ATOM 1118 C VAL A 70 5.054 2.365 7.630 1.00 0.00 C ATOM 1119 O VAL A 70 4.544 3.008 6.712 1.00 0.00 O ATOM 1120 CB VAL A 70 5.370 -0.102 7.877 1.00 0.00 C ATOM 1121 CG1 VAL A 70 4.833 -1.376 8.510 1.00 0.00 C ATOM 1122 CG2 VAL A 70 5.601 -0.296 6.386 1.00 0.00 C ATOM 0 H VAL A 70 3.168 0.535 6.523 1.00 0.00 H new ATOM 0 HA VAL A 70 4.220 1.155 9.200 1.00 0.00 H new ATOM 0 HB VAL A 70 6.328 0.132 8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.526 -2.196 8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.726 -1.231 9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.862 -1.616 8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.284 -1.131 6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.651 -0.507 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.034 0.611 5.964 1.00 0.00 H new ATOM 1132 N LEU A 71 6.179 2.740 8.236 1.00 0.00 N ATOM 1133 CA LEU A 71 6.887 3.956 7.843 1.00 0.00 C ATOM 1134 C LEU A 71 7.690 3.729 6.564 1.00 0.00 C ATOM 1135 O LEU A 71 8.094 2.605 6.268 1.00 0.00 O ATOM 1136 CB LEU A 71 7.818 4.424 8.966 1.00 0.00 C ATOM 1137 CG LEU A 71 7.151 4.592 10.333 1.00 0.00 C ATOM 1138 CD1 LEU A 71 7.976 3.917 11.418 1.00 0.00 C ATOM 1139 CD2 LEU A 71 6.952 6.066 10.654 1.00 0.00 C ATOM 0 H LEU A 71 6.618 2.222 8.997 1.00 0.00 H new ATOM 0 HA LEU A 71 6.143 4.730 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.634 3.708 9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.262 5.376 8.676 1.00 0.00 H new ATOM 0 HG LEU A 71 6.173 4.113 10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.485 4.048 12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.066 2.853 11.198 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.969 4.366 11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.476 6.165 11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.919 6.569 10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.318 6.522 9.894 1.00 0.00 H new