USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 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 69 SER OG : rot -93:sc= 1.25 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.215 K(o=-0.068,f=-6.2!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -158:sc= -0.283 (180deg=-1.61!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 0.521 (180deg=0.258) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 6 LYS NZ :NH3+ -146:sc= -0.666 (180deg=-2.81!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 16 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0783) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 175:sc= -0.833 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -169:sc= -2.18 (180deg=-2.7) USER MOD Single : A 47 MET CE :methyl 153:sc= -1.06 (180deg=-1.83!) USER MOD Single : A 50 GLN : amide:sc= -3.57! C(o=-3.6!,f=-4!) USER MOD Single : A 51 ASN : amide:sc= -0.553 K(o=-0.55,f=-2) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 58 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.015) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 165:sc= -1.32 (180deg=-1.93) USER MOD Single : A 81 MET CE :methyl 171:sc= -2.83! (180deg=-3.17!) USER MOD Single : A 84 CYS SG : rot 57:sc= -0.0871 USER MOD Single : A 85 MET CE :methyl -140:sc= -0.0377 (180deg=-0.488) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.296 -5.605 -1.321 1.00 52.15 N ATOM 2 CA MET A 1 0.791 -4.258 -1.583 1.00 61.41 C ATOM 3 C MET A 1 2.229 -4.104 -1.097 1.00 54.10 C ATOM 4 O MET A 1 2.471 -3.614 0.006 1.00 25.21 O ATOM 5 CB MET A 1 -0.104 -3.221 -0.902 1.00 72.42 C ATOM 6 CG MET A 1 0.324 -1.786 -1.160 1.00 4.13 C ATOM 7 SD MET A 1 -0.383 -0.627 0.026 1.00 1.54 S ATOM 8 CE MET A 1 1.094 -0.057 0.865 1.00 52.43 C ATOM 0 H1 MET A 1 -0.429 -5.851 -2.025 1.00 52.15 H new ATOM 0 H2 MET A 1 1.083 -6.282 -1.383 1.00 52.15 H new ATOM 0 H3 MET A 1 -0.119 -5.643 -0.368 1.00 52.15 H new ATOM 0 HA MET A 1 0.770 -4.093 -2.660 1.00 61.41 H new ATOM 0 HB2 MET A 1 -1.129 -3.354 -1.249 1.00 72.42 H new ATOM 0 HB3 MET A 1 -0.105 -3.404 0.173 1.00 72.42 H new ATOM 0 HG2 MET A 1 1.411 -1.723 -1.120 1.00 4.13 H new ATOM 0 HG3 MET A 1 0.024 -1.497 -2.167 1.00 4.13 H new ATOM 0 HE1 MET A 1 0.820 0.668 1.631 1.00 52.43 H new ATOM 0 HE2 MET A 1 1.598 -0.904 1.331 1.00 52.43 H new ATOM 0 HE3 MET A 1 1.764 0.412 0.144 1.00 52.43 H new ATOM 18 N ASP A 2 3.177 -4.524 -1.926 1.00 62.54 N ATOM 19 CA ASP A 2 4.591 -4.432 -1.581 1.00 40.10 C ATOM 20 C ASP A 2 5.339 -3.559 -2.583 1.00 42.44 C ATOM 21 O ASP A 2 4.978 -3.496 -3.759 1.00 14.15 O ATOM 22 CB ASP A 2 5.218 -5.826 -1.532 1.00 44.13 C ATOM 23 CG ASP A 2 6.558 -5.834 -0.822 1.00 14.43 C ATOM 24 OD1 ASP A 2 7.543 -5.339 -1.408 1.00 4.33 O ATOM 25 OD2 ASP A 2 6.620 -6.334 0.321 1.00 53.33 O ATOM 0 H ASP A 2 2.992 -4.932 -2.842 1.00 62.54 H new ATOM 0 HA ASP A 2 4.670 -3.972 -0.596 1.00 40.10 H new ATOM 0 HB2 ASP A 2 4.537 -6.510 -1.025 1.00 44.13 H new ATOM 0 HB3 ASP A 2 5.346 -6.199 -2.548 1.00 44.13 H new ATOM 30 N ASP A 3 6.383 -2.886 -2.111 1.00 14.22 N ATOM 31 CA ASP A 3 7.182 -2.016 -2.965 1.00 50.53 C ATOM 32 C ASP A 3 7.862 -2.816 -4.072 1.00 20.03 C ATOM 33 O ASP A 3 8.197 -2.275 -5.126 1.00 23.21 O ATOM 34 CB ASP A 3 8.232 -1.275 -2.136 1.00 11.14 C ATOM 35 CG ASP A 3 9.379 -2.173 -1.718 1.00 63.51 C ATOM 36 OD1 ASP A 3 10.242 -2.470 -2.571 1.00 73.44 O ATOM 37 OD2 ASP A 3 9.415 -2.579 -0.538 1.00 24.12 O ATOM 0 H ASP A 3 6.695 -2.927 -1.141 1.00 14.22 H new ATOM 0 HA ASP A 3 6.514 -1.288 -3.425 1.00 50.53 H new ATOM 0 HB2 ASP A 3 8.622 -0.437 -2.714 1.00 11.14 H new ATOM 0 HB3 ASP A 3 7.760 -0.856 -1.247 1.00 11.14 H new ATOM 42 N ILE A 4 8.063 -4.106 -3.824 1.00 2.35 N ATOM 43 CA ILE A 4 8.703 -4.980 -4.799 1.00 1.03 C ATOM 44 C ILE A 4 7.905 -5.032 -6.097 1.00 20.50 C ATOM 45 O ILE A 4 8.468 -5.209 -7.178 1.00 4.55 O ATOM 46 CB ILE A 4 8.866 -6.410 -4.251 1.00 71.21 C ATOM 47 CG1 ILE A 4 9.500 -7.316 -5.309 1.00 4.52 C ATOM 48 CG2 ILE A 4 7.520 -6.965 -3.810 1.00 14.10 C ATOM 49 CD1 ILE A 4 10.535 -8.266 -4.748 1.00 71.45 C ATOM 0 H ILE A 4 7.792 -4.569 -2.956 1.00 2.35 H new ATOM 0 HA ILE A 4 9.690 -4.562 -4.999 1.00 1.03 H new ATOM 0 HB ILE A 4 9.526 -6.378 -3.384 1.00 71.21 H new ATOM 0 HG12 ILE A 4 8.716 -7.893 -5.799 1.00 4.52 H new ATOM 0 HG13 ILE A 4 9.965 -6.696 -6.075 1.00 4.52 H new ATOM 0 HG21 ILE A 4 7.652 -7.976 -3.425 1.00 14.10 H new ATOM 0 HG22 ILE A 4 7.103 -6.330 -3.028 1.00 14.10 H new ATOM 0 HG23 ILE A 4 6.839 -6.986 -4.661 1.00 14.10 H new ATOM 0 HD11 ILE A 4 10.942 -8.877 -5.553 1.00 71.45 H new ATOM 0 HD12 ILE A 4 11.339 -7.695 -4.283 1.00 71.45 H new ATOM 0 HD13 ILE A 4 10.070 -8.911 -4.002 1.00 71.45 H new ATOM 61 N TYR A 5 6.591 -4.877 -5.984 1.00 12.14 N ATOM 62 CA TYR A 5 5.714 -4.907 -7.148 1.00 62.24 C ATOM 63 C TYR A 5 5.709 -3.559 -7.862 1.00 2.54 C ATOM 64 O TYR A 5 5.652 -3.492 -9.090 1.00 5.13 O ATOM 65 CB TYR A 5 4.291 -5.282 -6.732 1.00 52.11 C ATOM 66 CG TYR A 5 4.180 -6.664 -6.130 1.00 61.51 C ATOM 67 CD1 TYR A 5 4.864 -7.741 -6.681 1.00 45.42 C ATOM 68 CD2 TYR A 5 3.392 -6.894 -5.009 1.00 74.22 C ATOM 69 CE1 TYR A 5 4.765 -9.006 -6.135 1.00 4.51 C ATOM 70 CE2 TYR A 5 3.288 -8.156 -4.455 1.00 51.52 C ATOM 71 CZ TYR A 5 3.976 -9.208 -5.022 1.00 2.11 C ATOM 72 OH TYR A 5 3.876 -10.466 -4.474 1.00 21.12 O ATOM 0 H TYR A 5 6.109 -4.729 -5.097 1.00 12.14 H new ATOM 0 HA TYR A 5 6.094 -5.661 -7.837 1.00 62.24 H new ATOM 0 HB2 TYR A 5 3.928 -4.550 -6.010 1.00 52.11 H new ATOM 0 HB3 TYR A 5 3.639 -5.221 -7.603 1.00 52.11 H new ATOM 0 HD1 TYR A 5 5.484 -7.586 -7.552 1.00 45.42 H new ATOM 0 HD2 TYR A 5 2.851 -6.072 -4.563 1.00 74.22 H new ATOM 0 HE1 TYR A 5 5.302 -9.832 -6.577 1.00 4.51 H new ATOM 0 HE2 TYR A 5 2.671 -8.317 -3.583 1.00 51.52 H new ATOM 0 HH TYR A 5 3.283 -10.437 -3.695 1.00 21.12 H new ATOM 82 N LYS A 6 5.770 -2.484 -7.082 1.00 35.30 N ATOM 83 CA LYS A 6 5.774 -1.136 -7.636 1.00 0.41 C ATOM 84 C LYS A 6 6.987 -0.921 -8.536 1.00 11.03 C ATOM 85 O LYS A 6 6.873 -0.355 -9.622 1.00 71.04 O ATOM 86 CB LYS A 6 5.771 -0.099 -6.510 1.00 25.53 C ATOM 87 CG LYS A 6 4.405 0.113 -5.882 1.00 31.13 C ATOM 88 CD LYS A 6 3.979 -1.088 -5.054 1.00 11.12 C ATOM 89 CE LYS A 6 2.676 -0.822 -4.316 1.00 32.21 C ATOM 90 NZ LYS A 6 2.055 -2.080 -3.816 1.00 22.14 N ATOM 0 H LYS A 6 5.817 -2.521 -6.064 1.00 35.30 H new ATOM 0 HA LYS A 6 4.872 -1.014 -8.236 1.00 0.41 H new ATOM 0 HB2 LYS A 6 6.472 -0.413 -5.737 1.00 25.53 H new ATOM 0 HB3 LYS A 6 6.133 0.852 -6.902 1.00 25.53 H new ATOM 0 HG2 LYS A 6 4.428 1.001 -5.251 1.00 31.13 H new ATOM 0 HG3 LYS A 6 3.668 0.296 -6.664 1.00 31.13 H new ATOM 0 HD2 LYS A 6 3.860 -1.955 -5.703 1.00 11.12 H new ATOM 0 HD3 LYS A 6 4.762 -1.332 -4.336 1.00 11.12 H new ATOM 0 HE2 LYS A 6 2.864 -0.152 -3.477 1.00 32.21 H new ATOM 0 HE3 LYS A 6 1.979 -0.313 -4.982 1.00 32.21 H new ATOM 0 HZ1 LYS A 6 1.019 -1.995 -3.855 1.00 22.14 H new ATOM 0 HZ2 LYS A 6 2.359 -2.877 -4.410 1.00 22.14 H new ATOM 0 HZ3 LYS A 6 2.352 -2.247 -2.834 1.00 22.14 H new ATOM 104 N ALA A 7 8.147 -1.378 -8.076 1.00 42.11 N ATOM 105 CA ALA A 7 9.380 -1.239 -8.841 1.00 40.21 C ATOM 106 C ALA A 7 9.335 -2.080 -10.112 1.00 41.24 C ATOM 107 O ALA A 7 9.944 -1.728 -11.122 1.00 71.13 O ATOM 108 CB ALA A 7 10.577 -1.631 -7.988 1.00 65.24 C ATOM 0 H ALA A 7 8.259 -1.848 -7.177 1.00 42.11 H new ATOM 0 HA ALA A 7 9.482 -0.194 -9.132 1.00 40.21 H new ATOM 0 HB1 ALA A 7 11.491 -1.522 -8.572 1.00 65.24 H new ATOM 0 HB2 ALA A 7 10.627 -0.984 -7.112 1.00 65.24 H new ATOM 0 HB3 ALA A 7 10.472 -2.668 -7.668 1.00 65.24 H new ATOM 114 N ALA A 8 8.611 -3.193 -10.055 1.00 12.41 N ATOM 115 CA ALA A 8 8.486 -4.083 -11.202 1.00 53.22 C ATOM 116 C ALA A 8 7.831 -3.371 -12.381 1.00 13.32 C ATOM 117 O ALA A 8 8.382 -3.334 -13.481 1.00 52.21 O ATOM 118 CB ALA A 8 7.690 -5.323 -10.824 1.00 14.03 C ATOM 0 H ALA A 8 8.102 -3.500 -9.226 1.00 12.41 H new ATOM 0 HA ALA A 8 9.488 -4.386 -11.505 1.00 53.22 H new ATOM 0 HB1 ALA A 8 7.605 -5.979 -11.691 1.00 14.03 H new ATOM 0 HB2 ALA A 8 8.200 -5.851 -10.018 1.00 14.03 H new ATOM 0 HB3 ALA A 8 6.694 -5.029 -10.492 1.00 14.03 H new ATOM 124 N VAL A 9 6.651 -2.806 -12.144 1.00 32.32 N ATOM 125 CA VAL A 9 5.921 -2.095 -13.186 1.00 55.30 C ATOM 126 C VAL A 9 6.693 -0.868 -13.659 1.00 20.42 C ATOM 127 O VAL A 9 6.593 -0.469 -14.818 1.00 70.24 O ATOM 128 CB VAL A 9 4.529 -1.653 -12.695 1.00 30.31 C ATOM 129 CG1 VAL A 9 3.583 -2.843 -12.633 1.00 14.55 C ATOM 130 CG2 VAL A 9 4.634 -0.974 -11.338 1.00 43.51 C ATOM 0 H VAL A 9 6.181 -2.827 -11.239 1.00 32.32 H new ATOM 0 HA VAL A 9 5.802 -2.789 -14.018 1.00 55.30 H new ATOM 0 HB VAL A 9 4.123 -0.933 -13.406 1.00 30.31 H new ATOM 0 HG11 VAL A 9 2.605 -2.512 -12.284 1.00 14.55 H new ATOM 0 HG12 VAL A 9 3.485 -3.282 -13.626 1.00 14.55 H new ATOM 0 HG13 VAL A 9 3.981 -3.588 -11.944 1.00 14.55 H new ATOM 0 HG21 VAL A 9 3.642 -0.668 -11.006 1.00 43.51 H new ATOM 0 HG22 VAL A 9 5.060 -1.670 -10.615 1.00 43.51 H new ATOM 0 HG23 VAL A 9 5.276 -0.097 -11.419 1.00 43.51 H new ATOM 140 N GLU A 10 7.464 -0.275 -12.752 1.00 71.54 N ATOM 141 CA GLU A 10 8.254 0.906 -13.078 1.00 13.33 C ATOM 142 C GLU A 10 9.340 0.571 -14.096 1.00 53.51 C ATOM 143 O GLU A 10 9.882 1.459 -14.754 1.00 30.01 O ATOM 144 CB GLU A 10 8.888 1.488 -11.812 1.00 73.52 C ATOM 145 CG GLU A 10 8.022 2.527 -11.120 1.00 32.53 C ATOM 146 CD GLU A 10 8.837 3.637 -10.487 1.00 2.33 C ATOM 147 OE1 GLU A 10 9.216 4.581 -11.211 1.00 41.25 O ATOM 148 OE2 GLU A 10 9.097 3.563 -9.268 1.00 33.24 O ATOM 0 H GLU A 10 7.558 -0.593 -11.787 1.00 71.54 H new ATOM 0 HA GLU A 10 7.587 1.648 -13.516 1.00 13.33 H new ATOM 0 HB2 GLU A 10 9.095 0.677 -11.114 1.00 73.52 H new ATOM 0 HB3 GLU A 10 9.846 1.939 -12.070 1.00 73.52 H new ATOM 0 HG2 GLU A 10 7.329 2.957 -11.843 1.00 32.53 H new ATOM 0 HG3 GLU A 10 7.420 2.040 -10.353 1.00 32.53 H new ATOM 155 N GLN A 11 9.651 -0.715 -14.219 1.00 1.20 N ATOM 156 CA GLN A 11 10.673 -1.167 -15.156 1.00 52.30 C ATOM 157 C GLN A 11 10.075 -1.411 -16.537 1.00 74.15 C ATOM 158 O GLN A 11 10.794 -1.697 -17.496 1.00 1.25 O ATOM 159 CB GLN A 11 11.337 -2.445 -14.642 1.00 0.05 C ATOM 160 CG GLN A 11 11.847 -2.333 -13.214 1.00 32.43 C ATOM 161 CD GLN A 11 13.290 -2.776 -13.073 1.00 33.41 C ATOM 162 OE1 GLN A 11 14.212 -1.966 -13.168 1.00 60.22 O ATOM 163 NE2 GLN A 11 13.493 -4.069 -12.844 1.00 51.43 N ATOM 0 H GLN A 11 9.210 -1.462 -13.682 1.00 1.20 H new ATOM 0 HA GLN A 11 11.426 -0.383 -15.239 1.00 52.30 H new ATOM 0 HB2 GLN A 11 10.621 -3.265 -14.700 1.00 0.05 H new ATOM 0 HB3 GLN A 11 12.169 -2.701 -15.297 1.00 0.05 H new ATOM 0 HG2 GLN A 11 11.754 -1.300 -12.879 1.00 32.43 H new ATOM 0 HG3 GLN A 11 11.220 -2.938 -12.560 1.00 32.43 H new ATOM 0 HE21 GLN A 11 12.699 -4.705 -12.773 1.00 51.43 H new ATOM 0 HE22 GLN A 11 14.443 -4.425 -12.740 1.00 51.43 H new ATOM 172 N LEU A 12 8.755 -1.297 -16.634 1.00 35.45 N ATOM 173 CA LEU A 12 8.059 -1.506 -17.899 1.00 34.25 C ATOM 174 C LEU A 12 8.399 -0.403 -18.896 1.00 31.32 C ATOM 175 O LEU A 12 8.916 0.650 -18.522 1.00 14.15 O ATOM 176 CB LEU A 12 6.547 -1.554 -17.670 1.00 31.12 C ATOM 177 CG LEU A 12 6.050 -2.618 -16.691 1.00 34.13 C ATOM 178 CD1 LEU A 12 4.613 -2.335 -16.279 1.00 60.45 C ATOM 179 CD2 LEU A 12 6.167 -4.005 -17.305 1.00 62.24 C ATOM 0 H LEU A 12 8.145 -1.061 -15.851 1.00 35.45 H new ATOM 0 HA LEU A 12 8.388 -2.459 -18.313 1.00 34.25 H new ATOM 0 HB2 LEU A 12 6.223 -0.578 -17.310 1.00 31.12 H new ATOM 0 HB3 LEU A 12 6.059 -1.717 -18.631 1.00 31.12 H new ATOM 0 HG LEU A 12 6.676 -2.584 -15.799 1.00 34.13 H new ATOM 0 HD11 LEU A 12 4.276 -3.103 -15.582 1.00 60.45 H new ATOM 0 HD12 LEU A 12 4.558 -1.359 -15.798 1.00 60.45 H new ATOM 0 HD13 LEU A 12 3.974 -2.341 -17.162 1.00 60.45 H new ATOM 0 HD21 LEU A 12 5.809 -4.749 -16.594 1.00 62.24 H new ATOM 0 HD22 LEU A 12 5.566 -4.053 -18.213 1.00 62.24 H new ATOM 0 HD23 LEU A 12 7.210 -4.208 -17.548 1.00 62.24 H new ATOM 191 N THR A 13 8.104 -0.651 -20.168 1.00 72.32 N ATOM 192 CA THR A 13 8.377 0.320 -21.219 1.00 40.45 C ATOM 193 C THR A 13 7.163 1.205 -21.480 1.00 2.04 C ATOM 194 O THR A 13 6.041 0.857 -21.114 1.00 71.35 O ATOM 195 CB THR A 13 8.784 -0.373 -22.533 1.00 73.04 C ATOM 196 OG1 THR A 13 8.908 0.596 -23.581 1.00 33.34 O ATOM 197 CG2 THR A 13 7.760 -1.426 -22.929 1.00 31.42 C ATOM 0 H THR A 13 7.676 -1.517 -20.495 1.00 72.32 H new ATOM 0 HA THR A 13 9.205 0.937 -20.870 1.00 40.45 H new ATOM 0 HB THR A 13 9.745 -0.863 -22.376 1.00 73.04 H new ATOM 0 HG1 THR A 13 9.169 0.147 -24.412 1.00 33.34 H new ATOM 0 HG21 THR A 13 8.069 -1.902 -23.860 1.00 31.42 H new ATOM 0 HG22 THR A 13 7.689 -2.178 -22.143 1.00 31.42 H new ATOM 0 HG23 THR A 13 6.788 -0.954 -23.068 1.00 31.42 H new ATOM 205 N GLU A 14 7.396 2.350 -22.113 1.00 41.32 N ATOM 206 CA GLU A 14 6.320 3.284 -22.422 1.00 12.54 C ATOM 207 C GLU A 14 5.154 2.568 -23.096 1.00 73.51 C ATOM 208 O GLU A 14 3.990 2.855 -22.817 1.00 4.12 O ATOM 209 CB GLU A 14 6.833 4.408 -23.325 1.00 11.24 C ATOM 210 CG GLU A 14 8.095 5.077 -22.806 1.00 53.32 C ATOM 211 CD GLU A 14 9.264 4.938 -23.762 1.00 33.11 C ATOM 212 OE1 GLU A 14 9.530 3.805 -24.214 1.00 34.32 O ATOM 213 OE2 GLU A 14 9.913 5.963 -24.058 1.00 55.31 O ATOM 0 H GLU A 14 8.320 2.653 -22.422 1.00 41.32 H new ATOM 0 HA GLU A 14 5.967 3.713 -21.484 1.00 12.54 H new ATOM 0 HB2 GLU A 14 7.028 4.004 -24.318 1.00 11.24 H new ATOM 0 HB3 GLU A 14 6.052 5.160 -23.434 1.00 11.24 H new ATOM 0 HG2 GLU A 14 7.896 6.135 -22.632 1.00 53.32 H new ATOM 0 HG3 GLU A 14 8.363 4.641 -21.844 1.00 53.32 H new ATOM 220 N GLU A 15 5.476 1.633 -23.986 1.00 14.54 N ATOM 221 CA GLU A 15 4.455 0.877 -24.701 1.00 31.30 C ATOM 222 C GLU A 15 3.659 -0.004 -23.742 1.00 60.33 C ATOM 223 O GLU A 15 2.429 -0.024 -23.779 1.00 21.52 O ATOM 224 CB GLU A 15 5.097 0.014 -25.790 1.00 1.25 C ATOM 225 CG GLU A 15 5.545 0.805 -27.007 1.00 60.13 C ATOM 226 CD GLU A 15 5.824 -0.080 -28.207 1.00 12.40 C ATOM 227 OE1 GLU A 15 6.926 -0.664 -28.271 1.00 15.30 O ATOM 228 OE2 GLU A 15 4.939 -0.188 -29.082 1.00 1.40 O ATOM 0 H GLU A 15 6.435 1.382 -24.228 1.00 14.54 H new ATOM 0 HA GLU A 15 3.772 1.588 -25.166 1.00 31.30 H new ATOM 0 HB2 GLU A 15 5.957 -0.507 -25.369 1.00 1.25 H new ATOM 0 HB3 GLU A 15 4.385 -0.749 -26.105 1.00 1.25 H new ATOM 0 HG2 GLU A 15 4.775 1.532 -27.267 1.00 60.13 H new ATOM 0 HG3 GLU A 15 6.444 1.368 -26.759 1.00 60.13 H new ATOM 235 N GLN A 16 4.371 -0.731 -22.887 1.00 13.14 N ATOM 236 CA GLN A 16 3.731 -1.615 -21.919 1.00 50.33 C ATOM 237 C GLN A 16 2.802 -0.832 -20.997 1.00 50.45 C ATOM 238 O GLN A 16 1.683 -1.260 -20.716 1.00 33.50 O ATOM 239 CB GLN A 16 4.787 -2.351 -21.093 1.00 0.20 C ATOM 240 CG GLN A 16 5.443 -3.505 -21.833 1.00 41.04 C ATOM 241 CD GLN A 16 4.722 -4.821 -21.619 1.00 22.22 C ATOM 242 OE1 GLN A 16 3.594 -4.851 -21.127 1.00 31.24 O ATOM 243 NE2 GLN A 16 5.371 -5.919 -21.988 1.00 64.11 N ATOM 0 H GLN A 16 5.390 -0.726 -22.845 1.00 13.14 H new ATOM 0 HA GLN A 16 3.136 -2.345 -22.469 1.00 50.33 H new ATOM 0 HB2 GLN A 16 5.556 -1.642 -20.788 1.00 0.20 H new ATOM 0 HB3 GLN A 16 4.324 -2.731 -20.182 1.00 0.20 H new ATOM 0 HG2 GLN A 16 5.470 -3.279 -22.899 1.00 41.04 H new ATOM 0 HG3 GLN A 16 6.477 -3.603 -21.501 1.00 41.04 H new ATOM 0 HE21 GLN A 16 6.305 -5.848 -22.392 1.00 64.11 H new ATOM 0 HE22 GLN A 16 4.936 -6.834 -21.868 1.00 64.11 H new ATOM 252 N LYS A 17 3.273 0.319 -20.529 1.00 43.25 N ATOM 253 CA LYS A 17 2.485 1.164 -19.640 1.00 25.02 C ATOM 254 C LYS A 17 1.246 1.697 -20.352 1.00 2.04 C ATOM 255 O LYS A 17 0.173 1.798 -19.758 1.00 64.51 O ATOM 256 CB LYS A 17 3.333 2.330 -19.127 1.00 43.31 C ATOM 257 CG LYS A 17 3.832 2.141 -17.705 1.00 32.21 C ATOM 258 CD LYS A 17 5.350 2.156 -17.639 1.00 72.24 C ATOM 259 CE LYS A 17 5.848 1.955 -16.216 1.00 44.35 C ATOM 260 NZ LYS A 17 6.201 3.247 -15.565 1.00 13.20 N ATOM 0 H LYS A 17 4.198 0.688 -20.751 1.00 43.25 H new ATOM 0 HA LYS A 17 2.163 0.557 -18.794 1.00 25.02 H new ATOM 0 HB2 LYS A 17 4.189 2.464 -19.788 1.00 43.31 H new ATOM 0 HB3 LYS A 17 2.744 3.246 -19.178 1.00 43.31 H new ATOM 0 HG2 LYS A 17 3.432 2.931 -17.070 1.00 32.21 H new ATOM 0 HG3 LYS A 17 3.459 1.196 -17.310 1.00 32.21 H new ATOM 0 HD2 LYS A 17 5.751 1.371 -18.280 1.00 72.24 H new ATOM 0 HD3 LYS A 17 5.723 3.105 -18.025 1.00 72.24 H new ATOM 0 HE2 LYS A 17 5.080 1.451 -15.630 1.00 44.35 H new ATOM 0 HE3 LYS A 17 6.721 1.302 -16.225 1.00 44.35 H new ATOM 0 HZ1 LYS A 17 6.340 3.096 -14.545 1.00 13.20 H new ATOM 0 HZ2 LYS A 17 7.079 3.618 -15.982 1.00 13.20 H new ATOM 0 HZ3 LYS A 17 5.432 3.931 -15.712 1.00 13.20 H new ATOM 274 N ASN A 18 1.402 2.036 -21.627 1.00 71.24 N ATOM 275 CA ASN A 18 0.295 2.558 -22.420 1.00 74.32 C ATOM 276 C ASN A 18 -0.725 1.463 -22.717 1.00 35.31 C ATOM 277 O ASN A 18 -1.901 1.743 -22.948 1.00 32.22 O ATOM 278 CB ASN A 18 0.814 3.154 -23.730 1.00 4.44 C ATOM 279 CG ASN A 18 1.206 4.612 -23.585 1.00 41.43 C ATOM 280 OD1 ASN A 18 0.413 5.438 -23.131 1.00 25.51 O ATOM 281 ND2 ASN A 18 2.434 4.936 -23.973 1.00 3.01 N ATOM 0 H ASN A 18 2.284 1.959 -22.133 1.00 71.24 H new ATOM 0 HA ASN A 18 -0.195 3.341 -21.841 1.00 74.32 H new ATOM 0 HB2 ASN A 18 1.676 2.581 -24.071 1.00 4.44 H new ATOM 0 HB3 ASN A 18 0.046 3.061 -24.498 1.00 4.44 H new ATOM 0 HD21 ASN A 18 2.754 5.902 -23.901 1.00 3.01 H new ATOM 0 HD22 ASN A 18 3.058 4.219 -24.343 1.00 3.01 H new ATOM 288 N GLU A 19 -0.266 0.215 -22.708 1.00 11.20 N ATOM 289 CA GLU A 19 -1.139 -0.922 -22.976 1.00 51.53 C ATOM 290 C GLU A 19 -2.169 -1.091 -21.863 1.00 62.41 C ATOM 291 O GLU A 19 -3.375 -1.062 -22.108 1.00 50.01 O ATOM 292 CB GLU A 19 -0.315 -2.202 -23.124 1.00 21.34 C ATOM 293 CG GLU A 19 0.061 -2.522 -24.561 1.00 31.44 C ATOM 294 CD GLU A 19 0.203 -4.012 -24.809 1.00 12.45 C ATOM 295 OE1 GLU A 19 0.326 -4.768 -23.822 1.00 0.40 O ATOM 296 OE2 GLU A 19 0.191 -4.421 -25.988 1.00 71.10 O ATOM 0 H GLU A 19 0.705 -0.034 -22.518 1.00 11.20 H new ATOM 0 HA GLU A 19 -1.668 -0.730 -23.910 1.00 51.53 H new ATOM 0 HB2 GLU A 19 0.595 -2.109 -22.532 1.00 21.34 H new ATOM 0 HB3 GLU A 19 -0.880 -3.037 -22.711 1.00 21.34 H new ATOM 0 HG2 GLU A 19 -0.698 -2.117 -25.230 1.00 31.44 H new ATOM 0 HG3 GLU A 19 1.000 -2.026 -24.806 1.00 31.44 H new ATOM 303 N PHE A 20 -1.684 -1.270 -20.639 1.00 2.02 N ATOM 304 CA PHE A 20 -2.561 -1.446 -19.487 1.00 61.32 C ATOM 305 C PHE A 20 -3.363 -0.177 -19.215 1.00 21.11 C ATOM 306 O PHE A 20 -4.515 -0.237 -18.785 1.00 53.24 O ATOM 307 CB PHE A 20 -1.743 -1.822 -18.250 1.00 15.15 C ATOM 308 CG PHE A 20 -1.254 -0.634 -17.472 1.00 25.24 C ATOM 309 CD1 PHE A 20 -2.085 0.012 -16.571 1.00 73.04 C ATOM 310 CD2 PHE A 20 0.039 -0.164 -17.640 1.00 71.11 C ATOM 311 CE1 PHE A 20 -1.637 1.106 -15.855 1.00 31.40 C ATOM 312 CE2 PHE A 20 0.493 0.929 -16.926 1.00 71.11 C ATOM 313 CZ PHE A 20 -0.346 1.564 -16.032 1.00 31.14 C ATOM 0 H PHE A 20 -0.688 -1.297 -20.419 1.00 2.02 H new ATOM 0 HA PHE A 20 -3.258 -2.253 -19.712 1.00 61.32 H new ATOM 0 HB2 PHE A 20 -2.352 -2.448 -17.598 1.00 15.15 H new ATOM 0 HB3 PHE A 20 -0.887 -2.422 -18.559 1.00 15.15 H new ATOM 0 HD1 PHE A 20 -3.095 -0.343 -16.427 1.00 73.04 H new ATOM 0 HD2 PHE A 20 0.700 -0.658 -18.337 1.00 71.11 H new ATOM 0 HE1 PHE A 20 -2.296 1.602 -15.158 1.00 31.40 H new ATOM 0 HE2 PHE A 20 1.503 1.286 -17.067 1.00 71.11 H new ATOM 0 HZ PHE A 20 0.007 2.417 -15.472 1.00 31.14 H new ATOM 323 N LYS A 21 -2.745 0.972 -19.467 1.00 62.44 N ATOM 324 CA LYS A 21 -3.399 2.257 -19.251 1.00 62.31 C ATOM 325 C LYS A 21 -4.663 2.373 -20.096 1.00 72.24 C ATOM 326 O LYS A 21 -5.647 2.983 -19.678 1.00 44.34 O ATOM 327 CB LYS A 21 -2.441 3.402 -19.587 1.00 14.44 C ATOM 328 CG LYS A 21 -2.942 4.765 -19.139 1.00 34.41 C ATOM 329 CD LYS A 21 -2.248 5.888 -19.890 1.00 54.50 C ATOM 330 CE LYS A 21 -2.949 6.196 -21.204 1.00 52.34 C ATOM 331 NZ LYS A 21 -2.488 5.301 -22.302 1.00 11.33 N ATOM 0 H LYS A 21 -1.791 1.039 -19.821 1.00 62.44 H new ATOM 0 HA LYS A 21 -3.679 2.322 -18.200 1.00 62.31 H new ATOM 0 HB2 LYS A 21 -1.476 3.207 -19.119 1.00 14.44 H new ATOM 0 HB3 LYS A 21 -2.275 3.421 -20.664 1.00 14.44 H new ATOM 0 HG2 LYS A 21 -4.018 4.829 -19.300 1.00 34.41 H new ATOM 0 HG3 LYS A 21 -2.772 4.882 -18.069 1.00 34.41 H new ATOM 0 HD2 LYS A 21 -2.227 6.784 -19.269 1.00 54.50 H new ATOM 0 HD3 LYS A 21 -1.212 5.611 -20.085 1.00 54.50 H new ATOM 0 HE2 LYS A 21 -4.026 6.088 -21.075 1.00 52.34 H new ATOM 0 HE3 LYS A 21 -2.764 7.234 -21.480 1.00 52.34 H new ATOM 0 HZ1 LYS A 21 -2.680 5.750 -23.220 1.00 11.33 H new ATOM 0 HZ2 LYS A 21 -1.466 5.132 -22.206 1.00 11.33 H new ATOM 0 HZ3 LYS A 21 -2.995 4.395 -22.247 1.00 11.33 H new ATOM 345 N ALA A 22 -4.630 1.782 -21.286 1.00 74.23 N ATOM 346 CA ALA A 22 -5.775 1.816 -22.188 1.00 50.21 C ATOM 347 C ALA A 22 -6.812 0.768 -21.799 1.00 61.24 C ATOM 348 O ALA A 22 -7.995 0.907 -22.109 1.00 62.51 O ATOM 349 CB ALA A 22 -5.321 1.605 -23.625 1.00 53.20 C ATOM 0 H ALA A 22 -3.823 1.274 -21.648 1.00 74.23 H new ATOM 0 HA ALA A 22 -6.242 2.798 -22.106 1.00 50.21 H new ATOM 0 HB1 ALA A 22 -6.186 1.633 -24.288 1.00 53.20 H new ATOM 0 HB2 ALA A 22 -4.623 2.394 -23.906 1.00 53.20 H new ATOM 0 HB3 ALA A 22 -4.828 0.637 -23.712 1.00 53.20 H new ATOM 355 N ALA A 23 -6.360 -0.281 -21.120 1.00 31.11 N ATOM 356 CA ALA A 23 -7.249 -1.352 -20.688 1.00 73.30 C ATOM 357 C ALA A 23 -7.997 -0.966 -19.417 1.00 14.33 C ATOM 358 O ALA A 23 -9.161 -1.324 -19.236 1.00 54.11 O ATOM 359 CB ALA A 23 -6.462 -2.636 -20.470 1.00 12.12 C ATOM 0 H ALA A 23 -5.383 -0.412 -20.857 1.00 31.11 H new ATOM 0 HA ALA A 23 -7.985 -1.519 -21.475 1.00 73.30 H new ATOM 0 HB1 ALA A 23 -7.139 -3.427 -20.148 1.00 12.12 H new ATOM 0 HB2 ALA A 23 -5.979 -2.929 -21.402 1.00 12.12 H new ATOM 0 HB3 ALA A 23 -5.704 -2.473 -19.704 1.00 12.12 H new ATOM 365 N PHE A 24 -7.322 -0.233 -18.538 1.00 24.24 N ATOM 366 CA PHE A 24 -7.922 0.201 -17.282 1.00 33.54 C ATOM 367 C PHE A 24 -9.177 1.031 -17.537 1.00 22.12 C ATOM 368 O PHE A 24 -10.096 1.054 -16.718 1.00 72.24 O ATOM 369 CB PHE A 24 -6.916 1.014 -16.465 1.00 32.24 C ATOM 370 CG PHE A 24 -7.490 1.577 -15.196 1.00 21.11 C ATOM 371 CD1 PHE A 24 -7.713 0.761 -14.099 1.00 24.44 C ATOM 372 CD2 PHE A 24 -7.806 2.922 -15.100 1.00 40.52 C ATOM 373 CE1 PHE A 24 -8.241 1.276 -12.930 1.00 52.23 C ATOM 374 CE2 PHE A 24 -8.334 3.444 -13.934 1.00 75.13 C ATOM 375 CZ PHE A 24 -8.551 2.620 -12.848 1.00 33.44 C ATOM 0 H PHE A 24 -6.358 0.073 -18.673 1.00 24.24 H new ATOM 0 HA PHE A 24 -8.204 -0.687 -16.717 1.00 33.54 H new ATOM 0 HB2 PHE A 24 -6.063 0.381 -16.219 1.00 32.24 H new ATOM 0 HB3 PHE A 24 -6.539 1.832 -17.078 1.00 32.24 H new ATOM 0 HD1 PHE A 24 -7.471 -0.290 -14.158 1.00 24.44 H new ATOM 0 HD2 PHE A 24 -7.638 3.571 -15.947 1.00 40.52 H new ATOM 0 HE1 PHE A 24 -8.411 0.629 -12.082 1.00 52.23 H new ATOM 0 HE2 PHE A 24 -8.576 4.495 -13.873 1.00 75.13 H new ATOM 0 HZ PHE A 24 -8.963 3.025 -11.935 1.00 33.44 H new ATOM 385 N ASP A 25 -9.206 1.712 -18.677 1.00 72.10 N ATOM 386 CA ASP A 25 -10.347 2.544 -19.042 1.00 31.25 C ATOM 387 C ASP A 25 -11.583 1.688 -19.300 1.00 70.04 C ATOM 388 O ASP A 25 -12.682 2.017 -18.853 1.00 32.51 O ATOM 389 CB ASP A 25 -10.021 3.379 -20.281 1.00 11.13 C ATOM 390 CG ASP A 25 -11.080 4.425 -20.569 1.00 74.41 C ATOM 391 OD1 ASP A 25 -11.500 5.122 -19.621 1.00 71.34 O ATOM 392 OD2 ASP A 25 -11.489 4.547 -21.743 1.00 30.54 O ATOM 0 H ASP A 25 -8.453 1.704 -19.365 1.00 72.10 H new ATOM 0 HA ASP A 25 -10.559 3.214 -18.208 1.00 31.25 H new ATOM 0 HB2 ASP A 25 -9.058 3.870 -20.142 1.00 11.13 H new ATOM 0 HB3 ASP A 25 -9.921 2.720 -21.144 1.00 11.13 H new ATOM 397 N ILE A 26 -11.395 0.591 -20.026 1.00 32.33 N ATOM 398 CA ILE A 26 -12.495 -0.312 -20.344 1.00 2.32 C ATOM 399 C ILE A 26 -13.044 -0.974 -19.085 1.00 22.40 C ATOM 400 O ILE A 26 -14.215 -1.351 -19.029 1.00 23.02 O ATOM 401 CB ILE A 26 -12.057 -1.405 -21.337 1.00 1.34 C ATOM 402 CG1 ILE A 26 -11.672 -0.780 -22.679 1.00 64.11 C ATOM 403 CG2 ILE A 26 -13.167 -2.428 -21.522 1.00 15.15 C ATOM 404 CD1 ILE A 26 -10.182 -0.783 -22.942 1.00 22.14 C ATOM 0 H ILE A 26 -10.492 0.306 -20.405 1.00 32.33 H new ATOM 0 HA ILE A 26 -13.277 0.292 -20.804 1.00 2.32 H new ATOM 0 HB ILE A 26 -11.184 -1.915 -20.931 1.00 1.34 H new ATOM 0 HG12 ILE A 26 -12.175 -1.321 -23.480 1.00 64.11 H new ATOM 0 HG13 ILE A 26 -12.036 0.247 -22.710 1.00 64.11 H new ATOM 0 HG21 ILE A 26 -12.842 -3.194 -22.226 1.00 15.15 H new ATOM 0 HG22 ILE A 26 -13.398 -2.892 -20.563 1.00 15.15 H new ATOM 0 HG23 ILE A 26 -14.057 -1.933 -21.909 1.00 15.15 H new ATOM 0 HD11 ILE A 26 -9.983 -0.325 -23.911 1.00 22.14 H new ATOM 0 HD12 ILE A 26 -9.674 -0.217 -22.161 1.00 22.14 H new ATOM 0 HD13 ILE A 26 -9.815 -1.809 -22.944 1.00 22.14 H new ATOM 416 N PHE A 27 -12.191 -1.112 -18.075 1.00 63.34 N ATOM 417 CA PHE A 27 -12.590 -1.729 -16.816 1.00 12.02 C ATOM 418 C PHE A 27 -13.394 -0.752 -15.963 1.00 10.12 C ATOM 419 O PHE A 27 -14.382 -1.128 -15.332 1.00 22.33 O ATOM 420 CB PHE A 27 -11.358 -2.204 -16.043 1.00 31.12 C ATOM 421 CG PHE A 27 -10.873 -3.562 -16.464 1.00 13.03 C ATOM 422 CD1 PHE A 27 -10.495 -3.801 -17.775 1.00 31.51 C ATOM 423 CD2 PHE A 27 -10.796 -4.599 -15.548 1.00 73.11 C ATOM 424 CE1 PHE A 27 -10.048 -5.050 -18.166 1.00 12.35 C ATOM 425 CE2 PHE A 27 -10.350 -5.849 -15.933 1.00 22.22 C ATOM 426 CZ PHE A 27 -9.976 -6.075 -17.243 1.00 74.22 C ATOM 0 H PHE A 27 -11.219 -0.805 -18.104 1.00 63.34 H new ATOM 0 HA PHE A 27 -13.220 -2.588 -17.045 1.00 12.02 H new ATOM 0 HB2 PHE A 27 -10.553 -1.481 -16.178 1.00 31.12 H new ATOM 0 HB3 PHE A 27 -11.592 -2.224 -14.979 1.00 31.12 H new ATOM 0 HD1 PHE A 27 -10.550 -3.003 -18.500 1.00 31.51 H new ATOM 0 HD2 PHE A 27 -11.088 -4.428 -14.522 1.00 73.11 H new ATOM 0 HE1 PHE A 27 -9.756 -5.224 -19.191 1.00 12.35 H new ATOM 0 HE2 PHE A 27 -10.294 -6.649 -15.210 1.00 22.22 H new ATOM 0 HZ PHE A 27 -9.628 -7.052 -17.545 1.00 74.22 H new ATOM 436 N VAL A 28 -12.963 0.505 -15.949 1.00 2.45 N ATOM 437 CA VAL A 28 -13.641 1.538 -15.174 1.00 75.42 C ATOM 438 C VAL A 28 -14.801 2.141 -15.959 1.00 61.54 C ATOM 439 O VAL A 28 -15.440 3.094 -15.511 1.00 64.32 O ATOM 440 CB VAL A 28 -12.672 2.663 -14.767 1.00 65.31 C ATOM 441 CG1 VAL A 28 -11.463 2.090 -14.042 1.00 34.12 C ATOM 442 CG2 VAL A 28 -12.241 3.462 -15.988 1.00 13.34 C ATOM 0 H VAL A 28 -12.147 0.833 -16.466 1.00 2.45 H new ATOM 0 HA VAL A 28 -14.025 1.057 -14.274 1.00 75.42 H new ATOM 0 HB VAL A 28 -13.190 3.336 -14.084 1.00 65.31 H new ATOM 0 HG11 VAL A 28 -10.789 2.900 -13.762 1.00 34.12 H new ATOM 0 HG12 VAL A 28 -11.792 1.565 -13.145 1.00 34.12 H new ATOM 0 HG13 VAL A 28 -10.941 1.394 -14.699 1.00 34.12 H new ATOM 0 HG21 VAL A 28 -11.556 4.253 -15.682 1.00 13.34 H new ATOM 0 HG22 VAL A 28 -11.740 2.802 -16.696 1.00 13.34 H new ATOM 0 HG23 VAL A 28 -13.118 3.904 -16.462 1.00 13.34 H new ATOM 452 N LEU A 29 -15.068 1.579 -17.133 1.00 55.01 N ATOM 453 CA LEU A 29 -16.153 2.061 -17.982 1.00 64.42 C ATOM 454 C LEU A 29 -17.481 2.038 -17.234 1.00 15.42 C ATOM 455 O LEU A 29 -18.402 2.787 -17.560 1.00 21.31 O ATOM 456 CB LEU A 29 -16.253 1.208 -19.248 1.00 62.50 C ATOM 457 CG LEU A 29 -15.537 1.754 -20.484 1.00 21.41 C ATOM 458 CD1 LEU A 29 -15.679 0.790 -21.652 1.00 43.21 C ATOM 459 CD2 LEU A 29 -16.081 3.126 -20.853 1.00 34.12 C ATOM 0 H LEU A 29 -14.549 0.790 -17.519 1.00 55.01 H new ATOM 0 HA LEU A 29 -15.933 3.091 -18.261 1.00 64.42 H new ATOM 0 HB2 LEU A 29 -15.852 0.219 -19.028 1.00 62.50 H new ATOM 0 HB3 LEU A 29 -17.307 1.078 -19.492 1.00 62.50 H new ATOM 0 HG LEU A 29 -14.477 1.857 -20.251 1.00 21.41 H new ATOM 0 HD11 LEU A 29 -15.163 1.195 -22.523 1.00 43.21 H new ATOM 0 HD12 LEU A 29 -15.241 -0.172 -21.385 1.00 43.21 H new ATOM 0 HD13 LEU A 29 -16.735 0.655 -21.886 1.00 43.21 H new ATOM 0 HD21 LEU A 29 -15.560 3.499 -21.735 1.00 34.12 H new ATOM 0 HD22 LEU A 29 -17.147 3.049 -21.067 1.00 34.12 H new ATOM 0 HD23 LEU A 29 -15.926 3.814 -20.022 1.00 34.12 H new ATOM 471 N GLY A 30 -17.573 1.176 -16.226 1.00 72.42 N ATOM 472 CA GLY A 30 -18.792 1.074 -15.446 1.00 33.45 C ATOM 473 C GLY A 30 -18.849 2.092 -14.324 1.00 33.41 C ATOM 474 O GLY A 30 -19.929 2.535 -13.934 1.00 2.42 O ATOM 0 H GLY A 30 -16.825 0.546 -15.936 1.00 72.42 H new ATOM 0 HA2 GLY A 30 -19.652 1.212 -16.102 1.00 33.45 H new ATOM 0 HA3 GLY A 30 -18.869 0.071 -15.027 1.00 33.45 H new ATOM 478 N ALA A 31 -17.684 2.461 -13.803 1.00 11.53 N ATOM 479 CA ALA A 31 -17.606 3.434 -12.720 1.00 22.35 C ATOM 480 C ALA A 31 -17.870 4.846 -13.229 1.00 53.25 C ATOM 481 O ALA A 31 -17.873 5.089 -14.436 1.00 13.43 O ATOM 482 CB ALA A 31 -16.245 3.361 -12.042 1.00 73.03 C ATOM 0 H ALA A 31 -16.781 2.101 -14.113 1.00 11.53 H new ATOM 0 HA ALA A 31 -18.378 3.190 -11.990 1.00 22.35 H new ATOM 0 HB1 ALA A 31 -16.201 4.093 -11.235 1.00 73.03 H new ATOM 0 HB2 ALA A 31 -16.095 2.362 -11.634 1.00 73.03 H new ATOM 0 HB3 ALA A 31 -15.463 3.576 -12.771 1.00 73.03 H new ATOM 488 N GLU A 32 -18.092 5.773 -12.303 1.00 14.22 N ATOM 489 CA GLU A 32 -18.359 7.161 -12.661 1.00 13.45 C ATOM 490 C GLU A 32 -17.160 8.047 -12.335 1.00 51.31 C ATOM 491 O GLU A 32 -16.962 9.094 -12.953 1.00 31.32 O ATOM 492 CB GLU A 32 -19.599 7.672 -11.924 1.00 33.25 C ATOM 493 CG GLU A 32 -20.296 8.823 -12.629 1.00 40.03 C ATOM 494 CD GLU A 32 -21.377 9.461 -11.778 1.00 61.33 C ATOM 495 OE1 GLU A 32 -21.759 8.858 -10.754 1.00 73.40 O ATOM 496 OE2 GLU A 32 -21.840 10.564 -12.137 1.00 70.31 O ATOM 0 H GLU A 32 -18.092 5.588 -11.300 1.00 14.22 H new ATOM 0 HA GLU A 32 -18.540 7.204 -13.735 1.00 13.45 H new ATOM 0 HB2 GLU A 32 -20.305 6.850 -11.804 1.00 33.25 H new ATOM 0 HB3 GLU A 32 -19.310 7.992 -10.923 1.00 33.25 H new ATOM 0 HG2 GLU A 32 -19.558 9.579 -12.899 1.00 40.03 H new ATOM 0 HG3 GLU A 32 -20.737 8.461 -13.558 1.00 40.03 H new ATOM 503 N ASP A 33 -16.364 7.621 -11.361 1.00 70.51 N ATOM 504 CA ASP A 33 -15.184 8.374 -10.953 1.00 22.40 C ATOM 505 C ASP A 33 -13.938 7.860 -11.667 1.00 44.03 C ATOM 506 O ASP A 33 -13.023 8.626 -11.970 1.00 74.51 O ATOM 507 CB ASP A 33 -14.993 8.282 -9.438 1.00 43.13 C ATOM 508 CG ASP A 33 -16.009 9.110 -8.676 1.00 25.45 C ATOM 509 OD1 ASP A 33 -16.521 10.094 -9.248 1.00 33.22 O ATOM 510 OD2 ASP A 33 -16.290 8.774 -7.506 1.00 31.41 O ATOM 0 H ASP A 33 -16.514 6.758 -10.839 1.00 70.51 H new ATOM 0 HA ASP A 33 -15.335 9.417 -11.230 1.00 22.40 H new ATOM 0 HB2 ASP A 33 -15.071 7.240 -9.127 1.00 43.13 H new ATOM 0 HB3 ASP A 33 -13.988 8.617 -9.180 1.00 43.13 H new ATOM 515 N GLY A 34 -13.908 6.557 -11.933 1.00 12.41 N ATOM 516 CA GLY A 34 -12.769 5.964 -12.608 1.00 72.43 C ATOM 517 C GLY A 34 -12.101 4.885 -11.779 1.00 1.21 C ATOM 518 O GLY A 34 -10.881 4.892 -11.606 1.00 75.11 O ATOM 0 H GLY A 34 -14.652 5.902 -11.693 1.00 12.41 H new ATOM 0 HA2 GLY A 34 -13.094 5.539 -13.558 1.00 72.43 H new ATOM 0 HA3 GLY A 34 -12.042 6.742 -12.839 1.00 72.43 H new ATOM 522 N CYS A 35 -12.900 3.958 -11.263 1.00 63.43 N ATOM 523 CA CYS A 35 -12.378 2.869 -10.445 1.00 34.34 C ATOM 524 C CYS A 35 -13.101 1.562 -10.754 1.00 71.31 C ATOM 525 O CYS A 35 -14.053 1.537 -11.535 1.00 43.21 O ATOM 526 CB CYS A 35 -12.522 3.206 -8.960 1.00 24.43 C ATOM 527 SG CYS A 35 -14.166 3.794 -8.492 1.00 3.54 S ATOM 0 H CYS A 35 -13.911 3.938 -11.396 1.00 63.43 H new ATOM 0 HA CYS A 35 -11.321 2.743 -10.682 1.00 34.34 H new ATOM 0 HB2 CYS A 35 -12.284 2.319 -8.373 1.00 24.43 H new ATOM 0 HB3 CYS A 35 -11.787 3.968 -8.699 1.00 24.43 H new ATOM 0 HG CYS A 35 -14.189 4.050 -7.218 1.00 3.54 H new ATOM 533 N ILE A 36 -12.642 0.478 -10.138 1.00 61.30 N ATOM 534 CA ILE A 36 -13.245 -0.833 -10.348 1.00 45.33 C ATOM 535 C ILE A 36 -13.625 -1.482 -9.022 1.00 65.30 C ATOM 536 O ILE A 36 -12.759 -1.838 -8.223 1.00 23.32 O ATOM 537 CB ILE A 36 -12.295 -1.773 -11.114 1.00 2.20 C ATOM 538 CG1 ILE A 36 -11.934 -1.172 -12.474 1.00 53.11 C ATOM 539 CG2 ILE A 36 -12.932 -3.144 -11.286 1.00 43.44 C ATOM 540 CD1 ILE A 36 -10.450 -1.179 -12.763 1.00 44.34 C ATOM 0 H ILE A 36 -11.855 0.481 -9.490 1.00 61.30 H new ATOM 0 HA ILE A 36 -14.145 -0.675 -10.943 1.00 45.33 H new ATOM 0 HB ILE A 36 -11.379 -1.890 -10.536 1.00 2.20 H new ATOM 0 HG12 ILE A 36 -12.451 -1.728 -13.256 1.00 53.11 H new ATOM 0 HG13 ILE A 36 -12.299 -0.146 -12.517 1.00 53.11 H new ATOM 0 HG21 ILE A 36 -12.249 -3.797 -11.829 1.00 43.44 H new ATOM 0 HG22 ILE A 36 -13.142 -3.573 -10.306 1.00 43.44 H new ATOM 0 HG23 ILE A 36 -13.862 -3.045 -11.846 1.00 43.44 H new ATOM 0 HD11 ILE A 36 -10.268 -0.738 -13.743 1.00 44.34 H new ATOM 0 HD12 ILE A 36 -9.928 -0.599 -12.002 1.00 44.34 H new ATOM 0 HD13 ILE A 36 -10.082 -2.205 -12.753 1.00 44.34 H new ATOM 552 N SER A 37 -14.925 -1.635 -8.796 1.00 33.25 N ATOM 553 CA SER A 37 -15.421 -2.241 -7.565 1.00 1.40 C ATOM 554 C SER A 37 -15.539 -3.754 -7.714 1.00 33.44 C ATOM 555 O SER A 37 -15.838 -4.263 -8.795 1.00 22.23 O ATOM 556 CB SER A 37 -16.780 -1.646 -7.190 1.00 42.23 C ATOM 557 OG SER A 37 -17.055 -1.830 -5.812 1.00 62.35 O ATOM 0 H SER A 37 -15.655 -1.348 -9.449 1.00 33.25 H new ATOM 0 HA SER A 37 -14.707 -2.026 -6.770 1.00 1.40 H new ATOM 0 HB2 SER A 37 -16.793 -0.582 -7.428 1.00 42.23 H new ATOM 0 HB3 SER A 37 -17.563 -2.115 -7.786 1.00 42.23 H new ATOM 0 HG SER A 37 -17.928 -1.440 -5.598 1.00 62.35 H new ATOM 563 N THR A 38 -15.303 -4.471 -6.619 1.00 3.42 N ATOM 564 CA THR A 38 -15.381 -5.926 -6.626 1.00 10.13 C ATOM 565 C THR A 38 -16.697 -6.403 -7.230 1.00 0.24 C ATOM 566 O THR A 38 -16.769 -7.485 -7.812 1.00 20.44 O ATOM 567 CB THR A 38 -15.243 -6.503 -5.204 1.00 43.22 C ATOM 568 OG1 THR A 38 -15.627 -7.882 -5.196 1.00 31.13 O ATOM 569 CG2 THR A 38 -16.102 -5.725 -4.219 1.00 33.42 C ATOM 0 H THR A 38 -15.056 -4.067 -5.716 1.00 3.42 H new ATOM 0 HA THR A 38 -14.553 -6.284 -7.237 1.00 10.13 H new ATOM 0 HB THR A 38 -14.200 -6.416 -4.899 1.00 43.22 H new ATOM 0 HG1 THR A 38 -15.458 -8.264 -4.309 1.00 31.13 H new ATOM 0 HG21 THR A 38 -15.988 -6.151 -3.222 1.00 33.42 H new ATOM 0 HG22 THR A 38 -15.787 -4.682 -4.206 1.00 33.42 H new ATOM 0 HG23 THR A 38 -17.147 -5.785 -4.522 1.00 33.42 H new ATOM 577 N LYS A 39 -17.737 -5.588 -7.088 1.00 60.14 N ATOM 578 CA LYS A 39 -19.052 -5.925 -7.622 1.00 24.24 C ATOM 579 C LYS A 39 -19.034 -5.934 -9.147 1.00 32.12 C ATOM 580 O LYS A 39 -19.548 -6.858 -9.776 1.00 51.04 O ATOM 581 CB LYS A 39 -20.099 -4.929 -7.119 1.00 33.53 C ATOM 582 CG LYS A 39 -21.489 -5.527 -6.980 1.00 2.20 C ATOM 583 CD LYS A 39 -21.568 -6.489 -5.806 1.00 43.42 C ATOM 584 CE LYS A 39 -21.730 -5.747 -4.488 1.00 61.21 C ATOM 585 NZ LYS A 39 -21.312 -6.581 -3.327 1.00 73.44 N ATOM 0 H LYS A 39 -17.695 -4.689 -6.608 1.00 60.14 H new ATOM 0 HA LYS A 39 -19.313 -6.924 -7.274 1.00 24.24 H new ATOM 0 HB2 LYS A 39 -19.782 -4.539 -6.152 1.00 33.53 H new ATOM 0 HB3 LYS A 39 -20.143 -4.083 -7.805 1.00 33.53 H new ATOM 0 HG2 LYS A 39 -22.218 -4.728 -6.846 1.00 2.20 H new ATOM 0 HG3 LYS A 39 -21.754 -6.050 -7.899 1.00 2.20 H new ATOM 0 HD2 LYS A 39 -22.408 -7.169 -5.947 1.00 43.42 H new ATOM 0 HD3 LYS A 39 -20.665 -7.099 -5.773 1.00 43.42 H new ATOM 0 HE2 LYS A 39 -21.137 -4.833 -4.511 1.00 61.21 H new ATOM 0 HE3 LYS A 39 -22.771 -5.449 -4.365 1.00 61.21 H new ATOM 0 HZ1 LYS A 39 -21.437 -6.040 -2.448 1.00 73.44 H new ATOM 0 HZ2 LYS A 39 -21.895 -7.442 -3.290 1.00 73.44 H new ATOM 0 HZ3 LYS A 39 -20.311 -6.845 -3.431 1.00 73.44 H new ATOM 599 N GLU A 40 -18.439 -4.901 -9.733 1.00 45.45 N ATOM 600 CA GLU A 40 -18.354 -4.791 -11.185 1.00 74.41 C ATOM 601 C GLU A 40 -17.252 -5.692 -11.736 1.00 33.05 C ATOM 602 O GLU A 40 -17.342 -6.186 -12.860 1.00 73.03 O ATOM 603 CB GLU A 40 -18.095 -3.340 -11.596 1.00 21.45 C ATOM 604 CG GLU A 40 -19.199 -2.383 -11.180 1.00 35.42 C ATOM 605 CD GLU A 40 -18.946 -1.754 -9.824 1.00 34.14 C ATOM 606 OE1 GLU A 40 -18.017 -0.927 -9.717 1.00 12.12 O ATOM 607 OE2 GLU A 40 -19.679 -2.089 -8.869 1.00 24.21 O ATOM 0 H GLU A 40 -18.009 -4.128 -9.225 1.00 45.45 H new ATOM 0 HA GLU A 40 -19.307 -5.114 -11.604 1.00 74.41 H new ATOM 0 HB2 GLU A 40 -17.154 -3.009 -11.156 1.00 21.45 H new ATOM 0 HB3 GLU A 40 -17.975 -3.294 -12.678 1.00 21.45 H new ATOM 0 HG2 GLU A 40 -19.294 -1.597 -11.929 1.00 35.42 H new ATOM 0 HG3 GLU A 40 -20.149 -2.918 -11.157 1.00 35.42 H new ATOM 614 N LEU A 41 -16.213 -5.901 -10.935 1.00 44.25 N ATOM 615 CA LEU A 41 -15.092 -6.741 -11.341 1.00 64.53 C ATOM 616 C LEU A 41 -15.540 -8.185 -11.548 1.00 11.30 C ATOM 617 O LEU A 41 -15.173 -8.824 -12.533 1.00 34.53 O ATOM 618 CB LEU A 41 -13.981 -6.686 -10.291 1.00 63.11 C ATOM 619 CG LEU A 41 -12.793 -7.621 -10.521 1.00 3.01 C ATOM 620 CD1 LEU A 41 -12.401 -7.636 -11.990 1.00 55.24 C ATOM 621 CD2 LEU A 41 -11.611 -7.204 -9.657 1.00 33.52 C ATOM 0 H LEU A 41 -16.124 -5.501 -10.001 1.00 44.25 H new ATOM 0 HA LEU A 41 -14.709 -6.359 -12.287 1.00 64.53 H new ATOM 0 HB2 LEU A 41 -13.608 -5.663 -10.239 1.00 63.11 H new ATOM 0 HB3 LEU A 41 -14.416 -6.916 -9.318 1.00 63.11 H new ATOM 0 HG LEU A 41 -13.090 -8.630 -10.235 1.00 3.01 H new ATOM 0 HD11 LEU A 41 -11.554 -8.307 -12.134 1.00 55.24 H new ATOM 0 HD12 LEU A 41 -13.244 -7.982 -12.588 1.00 55.24 H new ATOM 0 HD13 LEU A 41 -12.124 -6.629 -12.303 1.00 55.24 H new ATOM 0 HD21 LEU A 41 -10.775 -7.880 -9.834 1.00 33.52 H new ATOM 0 HD22 LEU A 41 -11.315 -6.186 -9.912 1.00 33.52 H new ATOM 0 HD23 LEU A 41 -11.896 -7.246 -8.606 1.00 33.52 H new ATOM 633 N GLY A 42 -16.338 -8.691 -10.613 1.00 13.23 N ATOM 634 CA GLY A 42 -16.826 -10.054 -10.712 1.00 23.22 C ATOM 635 C GLY A 42 -17.507 -10.331 -12.037 1.00 64.54 C ATOM 636 O GLY A 42 -17.567 -11.476 -12.486 1.00 24.50 O ATOM 0 H GLY A 42 -16.655 -8.181 -9.789 1.00 13.23 H new ATOM 0 HA2 GLY A 42 -15.993 -10.745 -10.584 1.00 23.22 H new ATOM 0 HA3 GLY A 42 -17.527 -10.246 -9.900 1.00 23.22 H new ATOM 640 N LYS A 43 -18.023 -9.281 -12.666 1.00 73.33 N ATOM 641 CA LYS A 43 -18.704 -9.416 -13.949 1.00 13.34 C ATOM 642 C LYS A 43 -17.714 -9.754 -15.058 1.00 44.20 C ATOM 643 O LYS A 43 -17.886 -10.736 -15.779 1.00 64.45 O ATOM 644 CB LYS A 43 -19.449 -8.124 -14.292 1.00 11.43 C ATOM 645 CG LYS A 43 -20.961 -8.259 -14.233 1.00 2.13 C ATOM 646 CD LYS A 43 -21.646 -7.271 -15.162 1.00 43.10 C ATOM 647 CE LYS A 43 -22.489 -7.983 -16.209 1.00 11.24 C ATOM 648 NZ LYS A 43 -23.185 -7.021 -17.108 1.00 33.23 N ATOM 0 H LYS A 43 -17.983 -8.327 -12.308 1.00 73.33 H new ATOM 0 HA LYS A 43 -19.422 -10.232 -13.867 1.00 13.34 H new ATOM 0 HB2 LYS A 43 -19.136 -7.340 -13.603 1.00 11.43 H new ATOM 0 HB3 LYS A 43 -19.160 -7.803 -15.293 1.00 11.43 H new ATOM 0 HG2 LYS A 43 -21.247 -9.275 -14.506 1.00 2.13 H new ATOM 0 HG3 LYS A 43 -21.302 -8.095 -13.211 1.00 2.13 H new ATOM 0 HD2 LYS A 43 -22.278 -6.600 -14.580 1.00 43.10 H new ATOM 0 HD3 LYS A 43 -20.895 -6.654 -15.656 1.00 43.10 H new ATOM 0 HE2 LYS A 43 -21.853 -8.640 -16.802 1.00 11.24 H new ATOM 0 HE3 LYS A 43 -23.226 -8.615 -15.714 1.00 11.24 H new ATOM 0 HZ1 LYS A 43 -23.749 -7.545 -17.807 1.00 33.23 H new ATOM 0 HZ2 LYS A 43 -23.811 -6.411 -16.545 1.00 33.23 H new ATOM 0 HZ3 LYS A 43 -22.481 -6.434 -17.600 1.00 33.23 H new ATOM 662 N VAL A 44 -16.675 -8.934 -15.188 1.00 72.11 N ATOM 663 CA VAL A 44 -15.655 -9.148 -16.208 1.00 14.11 C ATOM 664 C VAL A 44 -15.131 -10.579 -16.169 1.00 3.22 C ATOM 665 O VAL A 44 -14.669 -11.109 -17.179 1.00 31.01 O ATOM 666 CB VAL A 44 -14.474 -8.175 -16.034 1.00 15.35 C ATOM 667 CG1 VAL A 44 -13.405 -8.787 -15.142 1.00 64.25 C ATOM 668 CG2 VAL A 44 -13.897 -7.791 -17.387 1.00 43.34 C ATOM 0 H VAL A 44 -16.518 -8.116 -14.600 1.00 72.11 H new ATOM 0 HA VAL A 44 -16.128 -8.964 -17.172 1.00 14.11 H new ATOM 0 HB VAL A 44 -14.840 -7.269 -15.551 1.00 15.35 H new ATOM 0 HG11 VAL A 44 -12.579 -8.085 -15.031 1.00 64.25 H new ATOM 0 HG12 VAL A 44 -13.830 -9.006 -14.162 1.00 64.25 H new ATOM 0 HG13 VAL A 44 -13.039 -9.710 -15.593 1.00 64.25 H new ATOM 0 HG21 VAL A 44 -13.064 -7.103 -17.245 1.00 43.34 H new ATOM 0 HG22 VAL A 44 -13.545 -8.686 -17.900 1.00 43.34 H new ATOM 0 HG23 VAL A 44 -14.668 -7.308 -17.987 1.00 43.34 H new ATOM 678 N MET A 45 -15.205 -11.199 -14.996 1.00 12.44 N ATOM 679 CA MET A 45 -14.739 -12.570 -14.825 1.00 40.13 C ATOM 680 C MET A 45 -15.324 -13.480 -15.900 1.00 62.52 C ATOM 681 O MET A 45 -14.735 -14.505 -16.247 1.00 13.15 O ATOM 682 CB MET A 45 -15.117 -13.091 -13.438 1.00 33.24 C ATOM 683 CG MET A 45 -14.677 -12.178 -12.305 1.00 32.33 C ATOM 684 SD MET A 45 -12.914 -11.803 -12.360 1.00 35.22 S ATOM 685 CE MET A 45 -12.237 -13.415 -12.751 1.00 14.35 C ATOM 0 H MET A 45 -15.583 -10.774 -14.150 1.00 12.44 H new ATOM 0 HA MET A 45 -13.653 -12.573 -14.922 1.00 40.13 H new ATOM 0 HB2 MET A 45 -16.198 -13.221 -13.390 1.00 33.24 H new ATOM 0 HB3 MET A 45 -14.671 -14.075 -13.295 1.00 33.24 H new ATOM 0 HG2 MET A 45 -15.244 -11.248 -12.352 1.00 32.33 H new ATOM 0 HG3 MET A 45 -14.915 -12.649 -11.351 1.00 32.33 H new ATOM 0 HE1 MET A 45 -11.154 -13.394 -12.628 1.00 14.35 H new ATOM 0 HE2 MET A 45 -12.664 -14.161 -12.081 1.00 14.35 H new ATOM 0 HE3 MET A 45 -12.480 -13.671 -13.782 1.00 14.35 H new ATOM 695 N ARG A 46 -16.485 -13.100 -16.424 1.00 23.51 N ATOM 696 CA ARG A 46 -17.149 -13.884 -17.458 1.00 52.03 C ATOM 697 C ARG A 46 -16.297 -13.950 -18.722 1.00 62.02 C ATOM 698 O ARG A 46 -16.138 -15.014 -19.321 1.00 13.52 O ATOM 699 CB ARG A 46 -18.517 -13.282 -17.784 1.00 34.10 C ATOM 700 CG ARG A 46 -18.444 -11.875 -18.354 1.00 3.14 C ATOM 701 CD ARG A 46 -19.696 -11.076 -18.027 1.00 44.43 C ATOM 702 NE ARG A 46 -20.360 -10.583 -19.231 1.00 43.10 N ATOM 703 CZ ARG A 46 -19.851 -9.642 -20.018 1.00 44.23 C ATOM 704 NH1 ARG A 46 -18.678 -9.095 -19.730 1.00 64.14 N ATOM 705 NH2 ARG A 46 -20.515 -9.246 -21.097 1.00 31.24 N ATOM 0 H ARG A 46 -16.985 -12.254 -16.149 1.00 23.51 H new ATOM 0 HA ARG A 46 -17.285 -14.897 -17.079 1.00 52.03 H new ATOM 0 HB2 ARG A 46 -19.028 -13.928 -18.498 1.00 34.10 H new ATOM 0 HB3 ARG A 46 -19.123 -13.267 -16.878 1.00 34.10 H new ATOM 0 HG2 ARG A 46 -17.569 -11.363 -17.952 1.00 3.14 H new ATOM 0 HG3 ARG A 46 -18.315 -11.925 -19.435 1.00 3.14 H new ATOM 0 HD2 ARG A 46 -20.387 -11.701 -17.462 1.00 44.43 H new ATOM 0 HD3 ARG A 46 -19.432 -10.234 -17.388 1.00 44.43 H new ATOM 0 HE ARG A 46 -21.264 -10.983 -19.481 1.00 43.10 H new ATOM 0 HH11 ARG A 46 -18.164 -9.397 -18.902 1.00 64.14 H new ATOM 0 HH12 ARG A 46 -18.290 -8.373 -20.336 1.00 64.14 H new ATOM 0 HH21 ARG A 46 -21.417 -9.664 -21.323 1.00 31.24 H new ATOM 0 HH22 ARG A 46 -20.123 -8.523 -21.700 1.00 31.24 H new ATOM 719 N MET A 47 -15.751 -12.806 -19.122 1.00 70.10 N ATOM 720 CA MET A 47 -14.914 -12.735 -20.314 1.00 52.32 C ATOM 721 C MET A 47 -13.593 -13.465 -20.096 1.00 31.43 C ATOM 722 O MET A 47 -12.920 -13.852 -21.052 1.00 50.53 O ATOM 723 CB MET A 47 -14.647 -11.276 -20.690 1.00 15.35 C ATOM 724 CG MET A 47 -13.693 -10.569 -19.741 1.00 1.01 C ATOM 725 SD MET A 47 -12.460 -9.578 -20.607 1.00 30.24 S ATOM 726 CE MET A 47 -11.368 -10.858 -21.222 1.00 33.13 C ATOM 0 H MET A 47 -15.873 -11.916 -18.638 1.00 70.10 H new ATOM 0 HA MET A 47 -15.447 -13.222 -21.131 1.00 52.32 H new ATOM 0 HB2 MET A 47 -14.237 -11.239 -21.699 1.00 15.35 H new ATOM 0 HB3 MET A 47 -15.593 -10.736 -20.710 1.00 15.35 H new ATOM 0 HG2 MET A 47 -14.264 -9.927 -19.070 1.00 1.01 H new ATOM 0 HG3 MET A 47 -13.188 -11.310 -19.121 1.00 1.01 H new ATOM 0 HE1 MET A 47 -10.869 -10.507 -22.125 1.00 33.13 H new ATOM 0 HE2 MET A 47 -10.622 -11.095 -20.464 1.00 33.13 H new ATOM 0 HE3 MET A 47 -11.948 -11.752 -21.452 1.00 33.13 H new ATOM 736 N LEU A 48 -13.227 -13.652 -18.832 1.00 53.34 N ATOM 737 CA LEU A 48 -11.986 -14.336 -18.488 1.00 63.14 C ATOM 738 C LEU A 48 -12.136 -15.846 -18.640 1.00 35.41 C ATOM 739 O LEU A 48 -11.158 -16.560 -18.856 1.00 43.43 O ATOM 740 CB LEU A 48 -11.572 -13.995 -17.056 1.00 11.42 C ATOM 741 CG LEU A 48 -10.590 -12.833 -16.900 1.00 12.14 C ATOM 742 CD1 LEU A 48 -11.151 -11.571 -17.536 1.00 12.45 C ATOM 743 CD2 LEU A 48 -10.273 -12.597 -15.430 1.00 52.51 C ATOM 0 H LEU A 48 -13.772 -13.339 -18.029 1.00 53.34 H new ATOM 0 HA LEU A 48 -11.211 -13.996 -19.174 1.00 63.14 H new ATOM 0 HB2 LEU A 48 -12.471 -13.764 -16.484 1.00 11.42 H new ATOM 0 HB3 LEU A 48 -11.128 -14.883 -16.606 1.00 11.42 H new ATOM 0 HG LEU A 48 -9.664 -13.093 -17.414 1.00 12.14 H new ATOM 0 HD11 LEU A 48 -10.439 -10.755 -17.415 1.00 12.45 H new ATOM 0 HD12 LEU A 48 -11.326 -11.746 -18.598 1.00 12.45 H new ATOM 0 HD13 LEU A 48 -12.091 -11.307 -17.052 1.00 12.45 H new ATOM 0 HD21 LEU A 48 -9.573 -11.767 -15.338 1.00 52.51 H new ATOM 0 HD22 LEU A 48 -11.191 -12.359 -14.893 1.00 52.51 H new ATOM 0 HD23 LEU A 48 -9.827 -13.496 -15.005 1.00 52.51 H new ATOM 755 N GLY A 49 -13.371 -16.327 -18.527 1.00 20.33 N ATOM 756 CA GLY A 49 -13.628 -17.750 -18.656 1.00 3.21 C ATOM 757 C GLY A 49 -13.814 -18.430 -17.314 1.00 11.51 C ATOM 758 O GLY A 49 -13.804 -19.657 -17.227 1.00 35.01 O ATOM 0 H GLY A 49 -14.198 -15.757 -18.349 1.00 20.33 H new ATOM 0 HA2 GLY A 49 -14.521 -17.901 -19.263 1.00 3.21 H new ATOM 0 HA3 GLY A 49 -12.799 -18.219 -19.186 1.00 3.21 H new ATOM 762 N GLN A 50 -13.982 -17.630 -16.266 1.00 14.04 N ATOM 763 CA GLN A 50 -14.169 -18.163 -14.921 1.00 51.23 C ATOM 764 C GLN A 50 -15.315 -17.453 -14.208 1.00 52.45 C ATOM 765 O GLN A 50 -15.728 -16.365 -14.608 1.00 53.01 O ATOM 766 CB GLN A 50 -12.881 -18.019 -14.109 1.00 44.14 C ATOM 767 CG GLN A 50 -11.751 -18.912 -14.597 1.00 52.34 C ATOM 768 CD GLN A 50 -11.166 -18.445 -15.916 1.00 11.34 C ATOM 769 OE1 GLN A 50 -11.118 -19.198 -16.888 1.00 65.42 O ATOM 770 NE2 GLN A 50 -10.718 -17.195 -15.955 1.00 62.42 N ATOM 0 H GLN A 50 -13.993 -16.612 -16.322 1.00 14.04 H new ATOM 0 HA GLN A 50 -14.419 -19.220 -15.008 1.00 51.23 H new ATOM 0 HB2 GLN A 50 -12.553 -16.980 -14.145 1.00 44.14 H new ATOM 0 HB3 GLN A 50 -13.092 -18.251 -13.065 1.00 44.14 H new ATOM 0 HG2 GLN A 50 -10.963 -18.939 -13.844 1.00 52.34 H new ATOM 0 HG3 GLN A 50 -12.121 -19.931 -14.708 1.00 52.34 H new ATOM 0 HE21 GLN A 50 -10.778 -16.606 -15.125 1.00 62.42 H new ATOM 0 HE22 GLN A 50 -10.314 -16.825 -16.815 1.00 62.42 H new ATOM 779 N ASN A 51 -15.825 -18.076 -13.151 1.00 23.00 N ATOM 780 CA ASN A 51 -16.924 -17.504 -12.383 1.00 13.42 C ATOM 781 C ASN A 51 -16.758 -17.795 -10.894 1.00 63.05 C ATOM 782 O ASN A 51 -17.568 -18.487 -10.278 1.00 22.14 O ATOM 783 CB ASN A 51 -18.262 -18.059 -12.876 1.00 61.01 C ATOM 784 CG ASN A 51 -18.331 -19.571 -12.780 1.00 43.04 C ATOM 785 OD1 ASN A 51 -17.508 -20.279 -13.361 1.00 42.12 O ATOM 786 ND2 ASN A 51 -19.316 -20.073 -12.045 1.00 40.10 N ATOM 0 H ASN A 51 -15.494 -18.977 -12.807 1.00 23.00 H new ATOM 0 HA ASN A 51 -16.911 -16.424 -12.528 1.00 13.42 H new ATOM 0 HB2 ASN A 51 -19.071 -17.623 -12.290 1.00 61.01 H new ATOM 0 HB3 ASN A 51 -18.419 -17.756 -13.911 1.00 61.01 H new ATOM 0 HD21 ASN A 51 -19.413 -21.083 -11.944 1.00 40.10 H new ATOM 0 HD22 ASN A 51 -19.976 -19.448 -11.581 1.00 40.10 H new ATOM 793 N PRO A 52 -15.682 -17.254 -10.302 1.00 74.45 N ATOM 794 CA PRO A 52 -15.385 -17.441 -8.879 1.00 65.34 C ATOM 795 C PRO A 52 -16.371 -16.706 -7.979 1.00 55.12 C ATOM 796 O PRO A 52 -17.364 -16.151 -8.451 1.00 52.51 O ATOM 797 CB PRO A 52 -13.981 -16.849 -8.730 1.00 61.10 C ATOM 798 CG PRO A 52 -13.867 -15.860 -9.838 1.00 13.30 C ATOM 799 CD PRO A 52 -14.675 -16.419 -10.977 1.00 3.33 C ATOM 0 HA PRO A 52 -15.456 -18.487 -8.582 1.00 65.34 H new ATOM 0 HB2 PRO A 52 -13.854 -16.371 -7.758 1.00 61.10 H new ATOM 0 HB3 PRO A 52 -13.216 -17.621 -8.808 1.00 61.10 H new ATOM 0 HG2 PRO A 52 -14.247 -14.885 -9.532 1.00 13.30 H new ATOM 0 HG3 PRO A 52 -12.826 -15.719 -10.130 1.00 13.30 H new ATOM 0 HD2 PRO A 52 -15.138 -15.628 -11.567 1.00 3.33 H new ATOM 0 HD3 PRO A 52 -14.058 -17.005 -11.658 1.00 3.33 H new ATOM 807 N THR A 53 -16.093 -16.705 -6.679 1.00 63.22 N ATOM 808 CA THR A 53 -16.956 -16.039 -5.713 1.00 13.33 C ATOM 809 C THR A 53 -16.629 -14.553 -5.616 1.00 54.13 C ATOM 810 O THR A 53 -15.472 -14.141 -5.697 1.00 51.31 O ATOM 811 CB THR A 53 -16.829 -16.673 -4.315 1.00 1.54 C ATOM 812 OG1 THR A 53 -17.893 -16.218 -3.472 1.00 15.12 O ATOM 813 CG2 THR A 53 -15.490 -16.323 -3.682 1.00 71.52 C ATOM 0 H THR A 53 -15.276 -17.159 -6.271 1.00 63.22 H new ATOM 0 HA THR A 53 -17.980 -16.161 -6.067 1.00 13.33 H new ATOM 0 HB THR A 53 -16.890 -17.756 -4.425 1.00 1.54 H new ATOM 0 HG1 THR A 53 -17.806 -16.627 -2.586 1.00 15.12 H new ATOM 0 HG21 THR A 53 -15.423 -16.782 -2.695 1.00 71.52 H new ATOM 0 HG22 THR A 53 -14.682 -16.696 -4.311 1.00 71.52 H new ATOM 0 HG23 THR A 53 -15.405 -15.241 -3.585 1.00 71.52 H new ATOM 821 N PRO A 54 -17.671 -13.727 -5.439 1.00 35.35 N ATOM 822 CA PRO A 54 -17.519 -12.274 -5.326 1.00 14.42 C ATOM 823 C PRO A 54 -16.844 -11.861 -4.022 1.00 53.33 C ATOM 824 O PRO A 54 -16.094 -10.886 -3.984 1.00 21.34 O ATOM 825 CB PRO A 54 -18.962 -11.762 -5.366 1.00 45.05 C ATOM 826 CG PRO A 54 -19.782 -12.903 -4.873 1.00 14.01 C ATOM 827 CD PRO A 54 -19.078 -14.149 -5.333 1.00 73.33 C ATOM 0 HA PRO A 54 -16.886 -11.868 -6.115 1.00 14.42 H new ATOM 0 HB2 PRO A 54 -19.088 -10.882 -4.735 1.00 45.05 H new ATOM 0 HB3 PRO A 54 -19.252 -11.473 -6.376 1.00 45.05 H new ATOM 0 HG2 PRO A 54 -19.867 -12.882 -3.787 1.00 14.01 H new ATOM 0 HG3 PRO A 54 -20.795 -12.857 -5.273 1.00 14.01 H new ATOM 0 HD2 PRO A 54 -19.200 -14.965 -4.621 1.00 73.33 H new ATOM 0 HD3 PRO A 54 -19.465 -14.500 -6.290 1.00 73.33 H new ATOM 835 N GLU A 55 -17.116 -12.609 -2.958 1.00 11.25 N ATOM 836 CA GLU A 55 -16.534 -12.319 -1.652 1.00 51.33 C ATOM 837 C GLU A 55 -15.010 -12.360 -1.715 1.00 41.40 C ATOM 838 O GLU A 55 -14.330 -11.624 -1.001 1.00 43.41 O ATOM 839 CB GLU A 55 -17.040 -13.318 -0.610 1.00 64.52 C ATOM 840 CG GLU A 55 -18.439 -13.014 -0.103 1.00 52.21 C ATOM 841 CD GLU A 55 -18.503 -12.911 1.408 1.00 25.24 C ATOM 842 OE1 GLU A 55 -17.660 -12.197 1.991 1.00 14.30 O ATOM 843 OE2 GLU A 55 -19.395 -13.546 2.009 1.00 53.14 O ATOM 0 H GLU A 55 -17.735 -13.420 -2.974 1.00 11.25 H new ATOM 0 HA GLU A 55 -16.841 -11.315 -1.360 1.00 51.33 H new ATOM 0 HB2 GLU A 55 -17.029 -14.318 -1.043 1.00 64.52 H new ATOM 0 HB3 GLU A 55 -16.351 -13.329 0.235 1.00 64.52 H new ATOM 0 HG2 GLU A 55 -18.785 -12.078 -0.542 1.00 52.21 H new ATOM 0 HG3 GLU A 55 -19.121 -13.795 -0.439 1.00 52.21 H new ATOM 850 N GLU A 56 -14.482 -13.226 -2.574 1.00 42.21 N ATOM 851 CA GLU A 56 -13.038 -13.364 -2.729 1.00 15.50 C ATOM 852 C GLU A 56 -12.438 -12.113 -3.363 1.00 45.45 C ATOM 853 O GLU A 56 -11.374 -11.645 -2.954 1.00 40.34 O ATOM 854 CB GLU A 56 -12.709 -14.590 -3.583 1.00 35.03 C ATOM 855 CG GLU A 56 -11.220 -14.799 -3.799 1.00 31.52 C ATOM 856 CD GLU A 56 -10.511 -15.281 -2.548 1.00 32.31 C ATOM 857 OE1 GLU A 56 -11.124 -16.047 -1.776 1.00 33.24 O ATOM 858 OE2 GLU A 56 -9.343 -14.892 -2.342 1.00 5.11 O ATOM 0 H GLU A 56 -15.032 -13.842 -3.173 1.00 42.21 H new ATOM 0 HA GLU A 56 -12.602 -13.493 -1.738 1.00 15.50 H new ATOM 0 HB2 GLU A 56 -13.126 -15.477 -3.106 1.00 35.03 H new ATOM 0 HB3 GLU A 56 -13.198 -14.489 -4.552 1.00 35.03 H new ATOM 0 HG2 GLU A 56 -11.071 -15.524 -4.599 1.00 31.52 H new ATOM 0 HG3 GLU A 56 -10.770 -13.863 -4.130 1.00 31.52 H new ATOM 865 N LEU A 57 -13.125 -11.576 -4.365 1.00 54.12 N ATOM 866 CA LEU A 57 -12.660 -10.379 -5.058 1.00 35.20 C ATOM 867 C LEU A 57 -12.321 -9.273 -4.065 1.00 3.52 C ATOM 868 O LEU A 57 -11.271 -8.638 -4.164 1.00 40.01 O ATOM 869 CB LEU A 57 -13.725 -9.889 -6.041 1.00 12.12 C ATOM 870 CG LEU A 57 -13.748 -10.580 -7.405 1.00 14.42 C ATOM 871 CD1 LEU A 57 -14.335 -11.978 -7.285 1.00 41.33 C ATOM 872 CD2 LEU A 57 -14.538 -9.752 -8.408 1.00 52.03 C ATOM 0 H LEU A 57 -14.006 -11.950 -4.716 1.00 54.12 H new ATOM 0 HA LEU A 57 -11.756 -10.636 -5.610 1.00 35.20 H new ATOM 0 HB2 LEU A 57 -14.704 -10.013 -5.577 1.00 12.12 H new ATOM 0 HB3 LEU A 57 -13.580 -8.820 -6.200 1.00 12.12 H new ATOM 0 HG LEU A 57 -12.723 -10.669 -7.764 1.00 14.42 H new ATOM 0 HD11 LEU A 57 -14.343 -12.454 -8.265 1.00 41.33 H new ATOM 0 HD12 LEU A 57 -13.729 -12.570 -6.599 1.00 41.33 H new ATOM 0 HD13 LEU A 57 -15.354 -11.913 -6.904 1.00 41.33 H new ATOM 0 HD21 LEU A 57 -14.544 -10.258 -9.373 1.00 52.03 H new ATOM 0 HD22 LEU A 57 -15.562 -9.632 -8.055 1.00 52.03 H new ATOM 0 HD23 LEU A 57 -14.074 -8.771 -8.516 1.00 52.03 H new ATOM 884 N GLN A 58 -13.215 -9.049 -3.107 1.00 41.22 N ATOM 885 CA GLN A 58 -13.008 -8.020 -2.095 1.00 54.42 C ATOM 886 C GLN A 58 -11.841 -8.381 -1.182 1.00 15.31 C ATOM 887 O GLN A 58 -11.100 -7.507 -0.733 1.00 31.43 O ATOM 888 CB GLN A 58 -14.280 -7.827 -1.266 1.00 64.33 C ATOM 889 CG GLN A 58 -14.068 -6.992 -0.014 1.00 35.44 C ATOM 890 CD GLN A 58 -13.607 -5.582 -0.323 1.00 42.02 C ATOM 891 OE1 GLN A 58 -14.317 -4.812 -0.970 1.00 40.14 O ATOM 892 NE2 GLN A 58 -12.411 -5.235 0.139 1.00 71.42 N ATOM 0 H GLN A 58 -14.089 -9.566 -3.011 1.00 41.22 H new ATOM 0 HA GLN A 58 -12.770 -7.087 -2.605 1.00 54.42 H new ATOM 0 HB2 GLN A 58 -15.039 -7.351 -1.886 1.00 64.33 H new ATOM 0 HB3 GLN A 58 -14.669 -8.804 -0.980 1.00 64.33 H new ATOM 0 HG2 GLN A 58 -14.999 -6.950 0.552 1.00 35.44 H new ATOM 0 HG3 GLN A 58 -13.330 -7.480 0.623 1.00 35.44 H new ATOM 0 HE21 GLN A 58 -11.856 -5.905 0.671 1.00 71.42 H new ATOM 0 HE22 GLN A 58 -12.048 -4.298 -0.038 1.00 71.42 H new ATOM 901 N GLU A 59 -11.686 -9.673 -0.912 1.00 3.13 N ATOM 902 CA GLU A 59 -10.609 -10.148 -0.051 1.00 31.25 C ATOM 903 C GLU A 59 -9.246 -9.808 -0.646 1.00 22.11 C ATOM 904 O GLU A 59 -8.402 -9.203 0.014 1.00 11.25 O ATOM 905 CB GLU A 59 -10.724 -11.659 0.160 1.00 65.55 C ATOM 906 CG GLU A 59 -11.933 -12.070 0.983 1.00 41.32 C ATOM 907 CD GLU A 59 -12.294 -13.531 0.800 1.00 15.01 C ATOM 908 OE1 GLU A 59 -11.519 -14.256 0.142 1.00 3.32 O ATOM 909 OE2 GLU A 59 -13.352 -13.950 1.314 1.00 14.33 O ATOM 0 H GLU A 59 -12.291 -10.409 -1.276 1.00 3.13 H new ATOM 0 HA GLU A 59 -10.700 -9.646 0.912 1.00 31.25 H new ATOM 0 HB2 GLU A 59 -10.773 -12.150 -0.812 1.00 65.55 H new ATOM 0 HB3 GLU A 59 -9.821 -12.018 0.653 1.00 65.55 H new ATOM 0 HG2 GLU A 59 -11.732 -11.879 2.037 1.00 41.32 H new ATOM 0 HG3 GLU A 59 -12.786 -11.451 0.703 1.00 41.32 H new ATOM 916 N MET A 60 -9.038 -10.203 -1.898 1.00 14.31 N ATOM 917 CA MET A 60 -7.778 -9.939 -2.583 1.00 32.51 C ATOM 918 C MET A 60 -7.612 -8.449 -2.861 1.00 41.04 C ATOM 919 O MET A 60 -6.493 -7.935 -2.889 1.00 54.44 O ATOM 920 CB MET A 60 -7.712 -10.726 -3.894 1.00 3.43 C ATOM 921 CG MET A 60 -6.313 -10.805 -4.484 1.00 53.03 C ATOM 922 SD MET A 60 -5.251 -11.963 -3.600 1.00 45.43 S ATOM 923 CE MET A 60 -4.503 -12.847 -4.967 1.00 4.24 C ATOM 0 H MET A 60 -9.725 -10.707 -2.458 1.00 14.31 H new ATOM 0 HA MET A 60 -6.965 -10.261 -1.933 1.00 32.51 H new ATOM 0 HB2 MET A 60 -8.082 -11.736 -3.721 1.00 3.43 H new ATOM 0 HB3 MET A 60 -8.379 -10.262 -4.621 1.00 3.43 H new ATOM 0 HG2 MET A 60 -6.380 -11.105 -5.530 1.00 53.03 H new ATOM 0 HG3 MET A 60 -5.859 -9.814 -4.465 1.00 53.03 H new ATOM 0 HE1 MET A 60 -3.817 -13.601 -4.581 1.00 4.24 H new ATOM 0 HE2 MET A 60 -5.281 -13.332 -5.556 1.00 4.24 H new ATOM 0 HE3 MET A 60 -3.955 -12.146 -5.597 1.00 4.24 H new ATOM 933 N ILE A 61 -8.730 -7.762 -3.067 1.00 12.41 N ATOM 934 CA ILE A 61 -8.707 -6.330 -3.342 1.00 70.42 C ATOM 935 C ILE A 61 -8.367 -5.535 -2.087 1.00 5.42 C ATOM 936 O ILE A 61 -7.777 -4.456 -2.164 1.00 35.23 O ATOM 937 CB ILE A 61 -10.059 -5.842 -3.895 1.00 44.55 C ATOM 938 CG1 ILE A 61 -10.176 -6.175 -5.384 1.00 62.11 C ATOM 939 CG2 ILE A 61 -10.214 -4.345 -3.669 1.00 22.25 C ATOM 940 CD1 ILE A 61 -11.507 -5.786 -5.988 1.00 0.53 C ATOM 0 H ILE A 61 -9.663 -8.173 -3.049 1.00 12.41 H new ATOM 0 HA ILE A 61 -7.935 -6.165 -4.094 1.00 70.42 H new ATOM 0 HB ILE A 61 -10.859 -6.356 -3.363 1.00 44.55 H new ATOM 0 HG12 ILE A 61 -9.378 -5.667 -5.925 1.00 62.11 H new ATOM 0 HG13 ILE A 61 -10.023 -7.245 -5.522 1.00 62.11 H new ATOM 0 HG21 ILE A 61 -11.174 -4.015 -4.065 1.00 22.25 H new ATOM 0 HG22 ILE A 61 -10.169 -4.132 -2.601 1.00 22.25 H new ATOM 0 HG23 ILE A 61 -9.410 -3.815 -4.179 1.00 22.25 H new ATOM 0 HD11 ILE A 61 -11.518 -6.052 -7.045 1.00 0.53 H new ATOM 0 HD12 ILE A 61 -12.309 -6.314 -5.472 1.00 0.53 H new ATOM 0 HD13 ILE A 61 -11.654 -4.711 -5.882 1.00 0.53 H new ATOM 952 N ASP A 62 -8.739 -6.074 -0.932 1.00 35.33 N ATOM 953 CA ASP A 62 -8.471 -5.416 0.342 1.00 72.23 C ATOM 954 C ASP A 62 -6.981 -5.131 0.503 1.00 53.23 C ATOM 955 O ASP A 62 -6.588 -4.019 0.854 1.00 25.32 O ATOM 956 CB ASP A 62 -8.966 -6.282 1.502 1.00 45.13 C ATOM 957 CG ASP A 62 -9.024 -5.518 2.810 1.00 31.30 C ATOM 958 OD1 ASP A 62 -8.842 -4.283 2.785 1.00 3.11 O ATOM 959 OD2 ASP A 62 -9.253 -6.156 3.859 1.00 53.12 O ATOM 0 H ASP A 62 -9.228 -6.966 -0.851 1.00 35.33 H new ATOM 0 HA ASP A 62 -9.007 -4.467 0.353 1.00 72.23 H new ATOM 0 HB2 ASP A 62 -9.957 -6.669 1.266 1.00 45.13 H new ATOM 0 HB3 ASP A 62 -8.307 -7.143 1.616 1.00 45.13 H new ATOM 964 N GLU A 63 -6.159 -6.143 0.244 1.00 43.41 N ATOM 965 CA GLU A 63 -4.712 -6.000 0.362 1.00 14.23 C ATOM 966 C GLU A 63 -4.158 -5.129 -0.762 1.00 22.24 C ATOM 967 O GLU A 63 -3.057 -4.588 -0.657 1.00 51.23 O ATOM 968 CB GLU A 63 -4.038 -7.373 0.338 1.00 33.24 C ATOM 969 CG GLU A 63 -3.164 -7.643 1.551 1.00 23.22 C ATOM 970 CD GLU A 63 -2.054 -6.622 1.709 1.00 63.22 C ATOM 971 OE1 GLU A 63 -1.018 -6.763 1.026 1.00 44.02 O ATOM 972 OE2 GLU A 63 -2.221 -5.683 2.515 1.00 63.13 O ATOM 0 H GLU A 63 -6.469 -7.070 -0.048 1.00 43.41 H new ATOM 0 HA GLU A 63 -4.497 -5.515 1.314 1.00 14.23 H new ATOM 0 HB2 GLU A 63 -4.806 -8.144 0.275 1.00 33.24 H new ATOM 0 HB3 GLU A 63 -3.430 -7.454 -0.563 1.00 33.24 H new ATOM 0 HG2 GLU A 63 -3.783 -7.642 2.448 1.00 23.22 H new ATOM 0 HG3 GLU A 63 -2.728 -8.638 1.466 1.00 23.22 H new ATOM 979 N VAL A 64 -4.928 -5.000 -1.837 1.00 53.21 N ATOM 980 CA VAL A 64 -4.516 -4.195 -2.981 1.00 24.31 C ATOM 981 C VAL A 64 -4.786 -2.715 -2.738 1.00 2.35 C ATOM 982 O VAL A 64 -3.906 -1.874 -2.924 1.00 0.14 O ATOM 983 CB VAL A 64 -5.242 -4.634 -4.267 1.00 5.34 C ATOM 984 CG1 VAL A 64 -4.869 -3.724 -5.427 1.00 41.22 C ATOM 985 CG2 VAL A 64 -4.920 -6.085 -4.591 1.00 44.43 C ATOM 0 H VAL A 64 -5.841 -5.443 -1.940 1.00 53.21 H new ATOM 0 HA VAL A 64 -3.444 -4.349 -3.107 1.00 24.31 H new ATOM 0 HB VAL A 64 -6.317 -4.552 -4.104 1.00 5.34 H new ATOM 0 HG11 VAL A 64 -5.391 -4.049 -6.327 1.00 41.22 H new ATOM 0 HG12 VAL A 64 -5.155 -2.699 -5.192 1.00 41.22 H new ATOM 0 HG13 VAL A 64 -3.793 -3.771 -5.595 1.00 41.22 H new ATOM 0 HG21 VAL A 64 -5.441 -6.379 -5.502 1.00 44.43 H new ATOM 0 HG22 VAL A 64 -3.845 -6.196 -4.736 1.00 44.43 H new ATOM 0 HG23 VAL A 64 -5.243 -6.722 -3.767 1.00 44.43 H new ATOM 995 N ASP A 65 -6.008 -2.403 -2.320 1.00 43.10 N ATOM 996 CA ASP A 65 -6.394 -1.023 -2.049 1.00 73.12 C ATOM 997 C ASP A 65 -5.572 -0.443 -0.903 1.00 24.31 C ATOM 998 O ASP A 65 -5.754 -0.817 0.255 1.00 31.31 O ATOM 999 CB ASP A 65 -7.885 -0.945 -1.714 1.00 44.03 C ATOM 1000 CG ASP A 65 -8.416 0.474 -1.764 1.00 43.15 C ATOM 1001 OD1 ASP A 65 -7.609 1.416 -1.615 1.00 24.33 O ATOM 1002 OD2 ASP A 65 -9.638 0.643 -1.954 1.00 51.43 O ATOM 0 H ASP A 65 -6.748 -3.087 -2.162 1.00 43.10 H new ATOM 0 HA ASP A 65 -6.199 -0.435 -2.946 1.00 73.12 H new ATOM 0 HB2 ASP A 65 -8.445 -1.564 -2.415 1.00 44.03 H new ATOM 0 HB3 ASP A 65 -8.053 -1.358 -0.719 1.00 44.03 H new ATOM 1007 N GLU A 66 -4.665 0.471 -1.235 1.00 34.12 N ATOM 1008 CA GLU A 66 -3.814 1.100 -0.233 1.00 4.35 C ATOM 1009 C GLU A 66 -4.648 1.887 0.774 1.00 11.20 C ATOM 1010 O GLU A 66 -4.317 1.948 1.958 1.00 2.12 O ATOM 1011 CB GLU A 66 -2.797 2.026 -0.904 1.00 12.53 C ATOM 1012 CG GLU A 66 -3.424 3.248 -1.555 1.00 61.21 C ATOM 1013 CD GLU A 66 -2.546 3.847 -2.636 1.00 50.34 C ATOM 1014 OE1 GLU A 66 -1.857 3.076 -3.336 1.00 24.54 O ATOM 1015 OE2 GLU A 66 -2.548 5.087 -2.783 1.00 40.33 O ATOM 0 H GLU A 66 -4.501 0.792 -2.189 1.00 34.12 H new ATOM 0 HA GLU A 66 -3.281 0.312 0.300 1.00 4.35 H new ATOM 0 HB2 GLU A 66 -2.070 2.353 -0.161 1.00 12.53 H new ATOM 0 HB3 GLU A 66 -2.249 1.463 -1.659 1.00 12.53 H new ATOM 0 HG2 GLU A 66 -4.387 2.972 -1.985 1.00 61.21 H new ATOM 0 HG3 GLU A 66 -3.620 4.001 -0.792 1.00 61.21 H new ATOM 1022 N ASP A 67 -5.731 2.488 0.294 1.00 12.10 N ATOM 1023 CA ASP A 67 -6.614 3.271 1.151 1.00 52.02 C ATOM 1024 C ASP A 67 -7.778 2.422 1.652 1.00 31.21 C ATOM 1025 O ASP A 67 -8.554 2.854 2.504 1.00 45.12 O ATOM 1026 CB ASP A 67 -7.145 4.490 0.394 1.00 23.14 C ATOM 1027 CG ASP A 67 -7.612 4.144 -1.006 1.00 5.30 C ATOM 1028 OD1 ASP A 67 -8.767 3.693 -1.152 1.00 52.52 O ATOM 1029 OD2 ASP A 67 -6.822 4.325 -1.956 1.00 4.32 O ATOM 0 H ASP A 67 -6.019 2.448 -0.684 1.00 12.10 H new ATOM 0 HA ASP A 67 -6.038 3.610 2.012 1.00 52.02 H new ATOM 0 HB2 ASP A 67 -7.972 4.928 0.952 1.00 23.14 H new ATOM 0 HB3 ASP A 67 -6.363 5.247 0.336 1.00 23.14 H new ATOM 1034 N GLY A 68 -7.894 1.210 1.116 1.00 13.44 N ATOM 1035 CA GLY A 68 -8.967 0.320 1.521 1.00 42.34 C ATOM 1036 C GLY A 68 -10.329 0.979 1.437 1.00 15.01 C ATOM 1037 O GLY A 68 -11.175 0.786 2.311 1.00 25.40 O ATOM 0 H GLY A 68 -7.265 0.829 0.409 1.00 13.44 H new ATOM 0 HA2 GLY A 68 -8.957 -0.568 0.889 1.00 42.34 H new ATOM 0 HA3 GLY A 68 -8.791 -0.015 2.543 1.00 42.34 H new ATOM 1041 N SER A 69 -10.543 1.761 0.384 1.00 55.02 N ATOM 1042 CA SER A 69 -11.811 2.455 0.192 1.00 14.33 C ATOM 1043 C SER A 69 -12.883 1.498 -0.322 1.00 4.34 C ATOM 1044 O SER A 69 -14.071 1.816 -0.312 1.00 31.22 O ATOM 1045 CB SER A 69 -11.638 3.618 -0.787 1.00 63.20 C ATOM 1046 OG SER A 69 -11.164 3.161 -2.042 1.00 20.10 O ATOM 0 H SER A 69 -9.855 1.930 -0.349 1.00 55.02 H new ATOM 0 HA SER A 69 -12.131 2.847 1.157 1.00 14.33 H new ATOM 0 HB2 SER A 69 -12.591 4.131 -0.919 1.00 63.20 H new ATOM 0 HB3 SER A 69 -10.939 4.345 -0.373 1.00 63.20 H new ATOM 0 HG SER A 69 -10.185 3.212 -2.060 1.00 20.10 H new ATOM 1052 N GLY A 70 -12.452 0.323 -0.771 1.00 4.32 N ATOM 1053 CA GLY A 70 -13.385 -0.663 -1.283 1.00 0.11 C ATOM 1054 C GLY A 70 -13.367 -0.747 -2.796 1.00 72.12 C ATOM 1055 O GLY A 70 -14.253 -1.351 -3.403 1.00 43.21 O ATOM 0 H GLY A 70 -11.473 0.037 -0.789 1.00 4.32 H new ATOM 0 HA2 GLY A 70 -13.142 -1.640 -0.865 1.00 0.11 H new ATOM 0 HA3 GLY A 70 -14.392 -0.414 -0.948 1.00 0.11 H new ATOM 1059 N THR A 71 -12.357 -0.139 -3.410 1.00 3.44 N ATOM 1060 CA THR A 71 -12.229 -0.145 -4.861 1.00 44.23 C ATOM 1061 C THR A 71 -10.770 -0.017 -5.285 1.00 41.31 C ATOM 1062 O THR A 71 -9.935 0.480 -4.529 1.00 43.24 O ATOM 1063 CB THR A 71 -13.040 0.997 -5.502 1.00 3.53 C ATOM 1064 OG1 THR A 71 -13.308 2.013 -4.529 1.00 10.13 O ATOM 1065 CG2 THR A 71 -14.350 0.477 -6.073 1.00 62.41 C ATOM 0 H THR A 71 -11.615 0.364 -2.924 1.00 3.44 H new ATOM 0 HA THR A 71 -12.623 -1.100 -5.209 1.00 44.23 H new ATOM 0 HB THR A 71 -12.450 1.419 -6.316 1.00 3.53 H new ATOM 0 HG1 THR A 71 -13.822 2.736 -4.944 1.00 10.13 H new ATOM 0 HG21 THR A 71 -14.905 1.302 -6.520 1.00 62.41 H new ATOM 0 HG22 THR A 71 -14.142 -0.275 -6.834 1.00 62.41 H new ATOM 0 HG23 THR A 71 -14.943 0.031 -5.275 1.00 62.41 H new ATOM 1073 N VAL A 72 -10.469 -0.467 -6.499 1.00 73.30 N ATOM 1074 CA VAL A 72 -9.111 -0.401 -7.024 1.00 62.43 C ATOM 1075 C VAL A 72 -8.970 0.722 -8.045 1.00 74.14 C ATOM 1076 O VAL A 72 -9.775 0.838 -8.970 1.00 42.31 O ATOM 1077 CB VAL A 72 -8.698 -1.732 -7.681 1.00 42.10 C ATOM 1078 CG1 VAL A 72 -7.538 -1.516 -8.641 1.00 62.31 C ATOM 1079 CG2 VAL A 72 -8.338 -2.760 -6.620 1.00 21.45 C ATOM 0 H VAL A 72 -11.148 -0.881 -7.137 1.00 73.30 H new ATOM 0 HA VAL A 72 -8.454 -0.203 -6.177 1.00 62.43 H new ATOM 0 HB VAL A 72 -9.544 -2.114 -8.252 1.00 42.10 H new ATOM 0 HG11 VAL A 72 -7.260 -2.467 -9.096 1.00 62.31 H new ATOM 0 HG12 VAL A 72 -7.836 -0.815 -9.420 1.00 62.31 H new ATOM 0 HG13 VAL A 72 -6.685 -1.111 -8.096 1.00 62.31 H new ATOM 0 HG21 VAL A 72 -8.049 -3.694 -7.102 1.00 21.45 H new ATOM 0 HG22 VAL A 72 -7.507 -2.388 -6.020 1.00 21.45 H new ATOM 0 HG23 VAL A 72 -9.200 -2.936 -5.976 1.00 21.45 H new ATOM 1089 N ASP A 73 -7.943 1.546 -7.872 1.00 13.41 N ATOM 1090 CA ASP A 73 -7.696 2.661 -8.779 1.00 63.35 C ATOM 1091 C ASP A 73 -6.641 2.292 -9.818 1.00 24.23 C ATOM 1092 O ASP A 73 -6.252 1.130 -9.938 1.00 34.44 O ATOM 1093 CB ASP A 73 -7.248 3.895 -7.995 1.00 43.13 C ATOM 1094 CG ASP A 73 -7.874 5.172 -8.519 1.00 12.50 C ATOM 1095 OD1 ASP A 73 -9.108 5.192 -8.715 1.00 23.04 O ATOM 1096 OD2 ASP A 73 -7.131 6.153 -8.732 1.00 52.04 O ATOM 0 H ASP A 73 -7.268 1.463 -7.112 1.00 13.41 H new ATOM 0 HA ASP A 73 -8.627 2.889 -9.298 1.00 63.35 H new ATOM 0 HB2 ASP A 73 -7.510 3.770 -6.945 1.00 43.13 H new ATOM 0 HB3 ASP A 73 -6.162 3.979 -8.044 1.00 43.13 H new ATOM 1101 N PHE A 74 -6.181 3.289 -10.567 1.00 32.40 N ATOM 1102 CA PHE A 74 -5.172 3.069 -11.597 1.00 35.32 C ATOM 1103 C PHE A 74 -3.879 2.536 -10.987 1.00 35.43 C ATOM 1104 O PHE A 74 -3.342 1.522 -11.433 1.00 21.23 O ATOM 1105 CB PHE A 74 -4.894 4.369 -12.354 1.00 32.01 C ATOM 1106 CG PHE A 74 -4.902 4.207 -13.847 1.00 63.41 C ATOM 1107 CD1 PHE A 74 -4.412 3.051 -14.434 1.00 43.20 C ATOM 1108 CD2 PHE A 74 -5.398 5.210 -14.664 1.00 32.23 C ATOM 1109 CE1 PHE A 74 -4.417 2.898 -15.808 1.00 14.42 C ATOM 1110 CE2 PHE A 74 -5.407 5.062 -16.038 1.00 1.51 C ATOM 1111 CZ PHE A 74 -4.915 3.906 -16.611 1.00 22.03 C ATOM 0 H PHE A 74 -6.491 4.257 -10.480 1.00 32.40 H new ATOM 0 HA PHE A 74 -5.557 2.325 -12.295 1.00 35.32 H new ATOM 0 HB2 PHE A 74 -5.642 5.111 -12.073 1.00 32.01 H new ATOM 0 HB3 PHE A 74 -3.925 4.760 -12.044 1.00 32.01 H new ATOM 0 HD1 PHE A 74 -4.022 2.260 -13.811 1.00 43.20 H new ATOM 0 HD2 PHE A 74 -5.782 6.118 -14.222 1.00 32.23 H new ATOM 0 HE1 PHE A 74 -4.032 1.992 -16.253 1.00 14.42 H new ATOM 0 HE2 PHE A 74 -5.799 5.850 -16.664 1.00 1.51 H new ATOM 0 HZ PHE A 74 -4.919 3.790 -17.685 1.00 22.03 H new ATOM 1121 N ASP A 75 -3.386 3.226 -9.965 1.00 0.21 N ATOM 1122 CA ASP A 75 -2.156 2.823 -9.292 1.00 54.13 C ATOM 1123 C ASP A 75 -2.312 1.446 -8.655 1.00 12.03 C ATOM 1124 O ASP A 75 -1.497 0.552 -8.879 1.00 44.40 O ATOM 1125 CB ASP A 75 -1.772 3.851 -8.227 1.00 42.34 C ATOM 1126 CG ASP A 75 -1.224 5.131 -8.829 1.00 21.41 C ATOM 1127 OD1 ASP A 75 -1.438 5.357 -10.038 1.00 51.14 O ATOM 1128 OD2 ASP A 75 -0.582 5.906 -8.090 1.00 62.40 O ATOM 0 H ASP A 75 -3.819 4.067 -9.584 1.00 0.21 H new ATOM 0 HA ASP A 75 -1.363 2.771 -10.038 1.00 54.13 H new ATOM 0 HB2 ASP A 75 -2.646 4.084 -7.619 1.00 42.34 H new ATOM 0 HB3 ASP A 75 -1.026 3.418 -7.560 1.00 42.34 H new ATOM 1133 N GLU A 76 -3.364 1.284 -7.858 1.00 73.45 N ATOM 1134 CA GLU A 76 -3.625 0.016 -7.187 1.00 61.42 C ATOM 1135 C GLU A 76 -3.804 -1.110 -8.202 1.00 34.24 C ATOM 1136 O GLU A 76 -3.387 -2.244 -7.966 1.00 61.13 O ATOM 1137 CB GLU A 76 -4.871 0.126 -6.306 1.00 2.31 C ATOM 1138 CG GLU A 76 -4.785 1.232 -5.267 1.00 72.10 C ATOM 1139 CD GLU A 76 -6.149 1.689 -4.788 1.00 54.21 C ATOM 1140 OE1 GLU A 76 -7.059 0.840 -4.689 1.00 55.11 O ATOM 1141 OE2 GLU A 76 -6.306 2.897 -4.512 1.00 52.10 O ATOM 0 H GLU A 76 -4.048 2.014 -7.662 1.00 73.45 H new ATOM 0 HA GLU A 76 -2.765 -0.217 -6.559 1.00 61.42 H new ATOM 0 HB2 GLU A 76 -5.740 0.301 -6.940 1.00 2.31 H new ATOM 0 HB3 GLU A 76 -5.033 -0.825 -5.799 1.00 2.31 H new ATOM 0 HG2 GLU A 76 -4.204 0.880 -4.415 1.00 72.10 H new ATOM 0 HG3 GLU A 76 -4.249 2.082 -5.690 1.00 72.10 H new ATOM 1148 N TRP A 77 -4.428 -0.788 -9.329 1.00 35.52 N ATOM 1149 CA TRP A 77 -4.664 -1.772 -10.379 1.00 73.53 C ATOM 1150 C TRP A 77 -3.353 -2.198 -11.031 1.00 52.20 C ATOM 1151 O TRP A 77 -3.223 -3.325 -11.509 1.00 72.44 O ATOM 1152 CB TRP A 77 -5.612 -1.203 -11.436 1.00 74.41 C ATOM 1153 CG TRP A 77 -5.928 -2.173 -12.535 1.00 11.23 C ATOM 1154 CD1 TRP A 77 -7.068 -2.912 -12.673 1.00 52.31 C ATOM 1155 CD2 TRP A 77 -5.092 -2.509 -13.647 1.00 61.40 C ATOM 1156 NE1 TRP A 77 -6.991 -3.687 -13.805 1.00 32.43 N ATOM 1157 CE2 TRP A 77 -5.789 -3.458 -14.420 1.00 72.32 C ATOM 1158 CE3 TRP A 77 -3.823 -2.100 -14.066 1.00 73.24 C ATOM 1159 CZ2 TRP A 77 -5.258 -4.003 -15.586 1.00 61.12 C ATOM 1160 CZ3 TRP A 77 -3.297 -2.642 -15.224 1.00 33.24 C ATOM 1161 CH2 TRP A 77 -4.014 -3.585 -15.973 1.00 41.42 C ATOM 0 H TRP A 77 -4.780 0.146 -9.539 1.00 35.52 H new ATOM 0 HA TRP A 77 -5.123 -2.649 -9.923 1.00 73.53 H new ATOM 0 HB2 TRP A 77 -6.540 -0.896 -10.954 1.00 74.41 H new ATOM 0 HB3 TRP A 77 -5.167 -0.307 -11.869 1.00 74.41 H new ATOM 0 HD1 TRP A 77 -7.907 -2.890 -11.993 1.00 52.31 H new ATOM 0 HE1 TRP A 77 -7.712 -4.329 -14.134 1.00 32.43 H new ATOM 0 HE3 TRP A 77 -3.263 -1.374 -13.495 1.00 73.24 H new ATOM 0 HZ2 TRP A 77 -5.809 -4.730 -16.165 1.00 61.12 H new ATOM 0 HZ3 TRP A 77 -2.317 -2.334 -15.557 1.00 33.24 H new ATOM 0 HH2 TRP A 77 -3.576 -3.990 -16.873 1.00 41.42 H new ATOM 1172 N LEU A 78 -2.384 -1.290 -11.047 1.00 4.12 N ATOM 1173 CA LEU A 78 -1.081 -1.572 -11.640 1.00 51.32 C ATOM 1174 C LEU A 78 -0.353 -2.663 -10.862 1.00 61.23 C ATOM 1175 O LEU A 78 0.325 -3.509 -11.446 1.00 34.42 O ATOM 1176 CB LEU A 78 -0.230 -0.301 -11.677 1.00 23.40 C ATOM 1177 CG LEU A 78 -0.127 0.399 -13.033 1.00 23.44 C ATOM 1178 CD1 LEU A 78 -0.426 1.883 -12.891 1.00 64.10 C ATOM 1179 CD2 LEU A 78 1.253 0.186 -13.639 1.00 73.11 C ATOM 0 H LEU A 78 -2.475 -0.352 -10.656 1.00 4.12 H new ATOM 0 HA LEU A 78 -1.241 -1.924 -12.659 1.00 51.32 H new ATOM 0 HB2 LEU A 78 -0.638 0.407 -10.955 1.00 23.40 H new ATOM 0 HB3 LEU A 78 0.777 -0.552 -11.343 1.00 23.40 H new ATOM 0 HG LEU A 78 -0.868 -0.037 -13.704 1.00 23.44 H new ATOM 0 HD11 LEU A 78 -0.348 2.365 -13.866 1.00 64.10 H new ATOM 0 HD12 LEU A 78 -1.435 2.015 -12.501 1.00 64.10 H new ATOM 0 HD13 LEU A 78 0.290 2.334 -12.205 1.00 64.10 H new ATOM 0 HD21 LEU A 78 1.309 0.691 -14.603 1.00 73.11 H new ATOM 0 HD22 LEU A 78 2.011 0.595 -12.971 1.00 73.11 H new ATOM 0 HD23 LEU A 78 1.429 -0.881 -13.777 1.00 73.11 H new ATOM 1191 N VAL A 79 -0.499 -2.639 -9.541 1.00 70.03 N ATOM 1192 CA VAL A 79 0.142 -3.628 -8.683 1.00 72.20 C ATOM 1193 C VAL A 79 -0.351 -5.035 -9.003 1.00 14.14 C ATOM 1194 O VAL A 79 0.365 -6.015 -8.802 1.00 62.14 O ATOM 1195 CB VAL A 79 -0.117 -3.331 -7.194 1.00 61.20 C ATOM 1196 CG1 VAL A 79 0.612 -4.335 -6.314 1.00 64.35 C ATOM 1197 CG2 VAL A 79 0.302 -1.909 -6.854 1.00 43.02 C ATOM 0 H VAL A 79 -1.056 -1.945 -9.042 1.00 70.03 H new ATOM 0 HA VAL A 79 1.213 -3.569 -8.877 1.00 72.20 H new ATOM 0 HB VAL A 79 -1.186 -3.426 -7.003 1.00 61.20 H new ATOM 0 HG11 VAL A 79 0.417 -4.109 -5.266 1.00 64.35 H new ATOM 0 HG12 VAL A 79 0.259 -5.341 -6.540 1.00 64.35 H new ATOM 0 HG13 VAL A 79 1.684 -4.275 -6.505 1.00 64.35 H new ATOM 0 HG21 VAL A 79 0.112 -1.716 -5.798 1.00 43.02 H new ATOM 0 HG22 VAL A 79 1.365 -1.784 -7.060 1.00 43.02 H new ATOM 0 HG23 VAL A 79 -0.270 -1.206 -7.460 1.00 43.02 H new ATOM 1207 N MET A 80 -1.580 -5.126 -9.501 1.00 61.31 N ATOM 1208 CA MET A 80 -2.169 -6.414 -9.850 1.00 43.14 C ATOM 1209 C MET A 80 -1.333 -7.124 -10.910 1.00 62.51 C ATOM 1210 O MET A 80 -0.861 -8.241 -10.696 1.00 51.30 O ATOM 1211 CB MET A 80 -3.600 -6.224 -10.356 1.00 31.00 C ATOM 1212 CG MET A 80 -4.598 -7.185 -9.731 1.00 60.50 C ATOM 1213 SD MET A 80 -6.227 -6.446 -9.506 1.00 32.40 S ATOM 1214 CE MET A 80 -6.432 -5.596 -11.069 1.00 72.52 C ATOM 0 H MET A 80 -2.187 -4.324 -9.672 1.00 61.31 H new ATOM 0 HA MET A 80 -2.188 -7.032 -8.952 1.00 43.14 H new ATOM 0 HB2 MET A 80 -3.916 -5.201 -10.152 1.00 31.00 H new ATOM 0 HB3 MET A 80 -3.614 -6.352 -11.438 1.00 31.00 H new ATOM 0 HG2 MET A 80 -4.689 -8.069 -10.362 1.00 60.50 H new ATOM 0 HG3 MET A 80 -4.219 -7.519 -8.765 1.00 60.50 H new ATOM 0 HE1 MET A 80 -7.478 -5.317 -11.197 1.00 72.52 H new ATOM 0 HE2 MET A 80 -5.813 -4.699 -11.079 1.00 72.52 H new ATOM 0 HE3 MET A 80 -6.130 -6.254 -11.884 1.00 72.52 H new ATOM 1224 N MET A 81 -1.154 -6.470 -12.053 1.00 61.20 N ATOM 1225 CA MET A 81 -0.374 -7.040 -13.145 1.00 62.24 C ATOM 1226 C MET A 81 1.077 -7.251 -12.725 1.00 2.00 C ATOM 1227 O MET A 81 1.703 -8.243 -13.097 1.00 41.13 O ATOM 1228 CB MET A 81 -0.434 -6.129 -14.373 1.00 71.31 C ATOM 1229 CG MET A 81 -0.146 -4.670 -14.062 1.00 3.35 C ATOM 1230 SD MET A 81 0.132 -3.684 -15.546 1.00 30.42 S ATOM 1231 CE MET A 81 -0.665 -4.705 -16.784 1.00 0.35 C ATOM 0 H MET A 81 -1.538 -5.545 -12.247 1.00 61.20 H new ATOM 0 HA MET A 81 -0.805 -8.009 -13.398 1.00 62.24 H new ATOM 0 HB2 MET A 81 0.284 -6.483 -15.113 1.00 71.31 H new ATOM 0 HB3 MET A 81 -1.423 -6.207 -14.825 1.00 71.31 H new ATOM 0 HG2 MET A 81 -0.982 -4.250 -13.503 1.00 3.35 H new ATOM 0 HG3 MET A 81 0.732 -4.606 -13.419 1.00 3.35 H new ATOM 0 HE1 MET A 81 -0.719 -4.159 -17.726 1.00 0.35 H new ATOM 0 HE2 MET A 81 -0.089 -5.619 -16.927 1.00 0.35 H new ATOM 0 HE3 MET A 81 -1.672 -4.959 -16.453 1.00 0.35 H new ATOM 1241 N ALA A 82 1.606 -6.312 -11.948 1.00 11.53 N ATOM 1242 CA ALA A 82 2.982 -6.396 -11.476 1.00 3.04 C ATOM 1243 C ALA A 82 3.234 -7.714 -10.750 1.00 41.54 C ATOM 1244 O ALA A 82 4.313 -8.297 -10.860 1.00 75.11 O ATOM 1245 CB ALA A 82 3.301 -5.220 -10.564 1.00 33.21 C ATOM 0 H ALA A 82 1.102 -5.484 -11.632 1.00 11.53 H new ATOM 0 HA ALA A 82 3.640 -6.357 -12.344 1.00 3.04 H new ATOM 0 HB1 ALA A 82 4.332 -5.296 -10.219 1.00 33.21 H new ATOM 0 HB2 ALA A 82 3.170 -4.288 -11.113 1.00 33.21 H new ATOM 0 HB3 ALA A 82 2.629 -5.233 -9.705 1.00 33.21 H new ATOM 1251 N ARG A 83 2.233 -8.176 -10.009 1.00 32.30 N ATOM 1252 CA ARG A 83 2.347 -9.424 -9.264 1.00 61.20 C ATOM 1253 C ARG A 83 2.381 -10.621 -10.210 1.00 44.00 C ATOM 1254 O ARG A 83 2.910 -11.680 -9.869 1.00 14.15 O ATOM 1255 CB ARG A 83 1.180 -9.567 -8.285 1.00 61.54 C ATOM 1256 CG ARG A 83 1.278 -8.644 -7.082 1.00 35.21 C ATOM 1257 CD ARG A 83 0.636 -9.264 -5.851 1.00 22.45 C ATOM 1258 NE ARG A 83 1.265 -10.531 -5.485 1.00 51.01 N ATOM 1259 CZ ARG A 83 0.836 -11.306 -4.495 1.00 52.31 C ATOM 1260 NH1 ARG A 83 -0.218 -10.945 -3.776 1.00 21.23 N ATOM 1261 NH2 ARG A 83 1.461 -12.444 -4.223 1.00 70.23 N ATOM 0 H ARG A 83 1.334 -7.705 -9.908 1.00 32.30 H new ATOM 0 HA ARG A 83 3.282 -9.399 -8.704 1.00 61.20 H new ATOM 0 HB2 ARG A 83 0.248 -9.365 -8.812 1.00 61.54 H new ATOM 0 HB3 ARG A 83 1.133 -10.599 -7.938 1.00 61.54 H new ATOM 0 HG2 ARG A 83 2.325 -8.423 -6.876 1.00 35.21 H new ATOM 0 HG3 ARG A 83 0.791 -7.696 -7.309 1.00 35.21 H new ATOM 0 HD2 ARG A 83 0.709 -8.568 -5.015 1.00 22.45 H new ATOM 0 HD3 ARG A 83 -0.425 -9.427 -6.039 1.00 22.45 H new ATOM 0 HE ARG A 83 2.078 -10.837 -6.019 1.00 51.01 H new ATOM 0 HH11 ARG A 83 -0.701 -10.071 -3.983 1.00 21.23 H new ATOM 0 HH12 ARG A 83 -0.546 -11.542 -3.016 1.00 21.23 H new ATOM 0 HH21 ARG A 83 2.272 -12.725 -4.774 1.00 70.23 H new ATOM 0 HH22 ARG A 83 1.131 -13.038 -3.463 1.00 70.23 H new ATOM 1275 N CYS A 84 1.815 -10.445 -11.399 1.00 31.24 N ATOM 1276 CA CYS A 84 1.779 -11.511 -12.394 1.00 4.02 C ATOM 1277 C CYS A 84 3.175 -11.789 -12.943 1.00 31.13 C ATOM 1278 O CYS A 84 3.411 -12.820 -13.572 1.00 51.23 O ATOM 1279 CB CYS A 84 0.834 -11.139 -13.536 1.00 55.35 C ATOM 1280 SG CYS A 84 -0.855 -10.768 -13.006 1.00 42.11 S ATOM 0 H CYS A 84 1.375 -9.575 -11.697 1.00 31.24 H new ATOM 0 HA CYS A 84 1.412 -12.415 -11.909 1.00 4.02 H new ATOM 0 HB2 CYS A 84 1.238 -10.272 -14.060 1.00 55.35 H new ATOM 0 HB3 CYS A 84 0.806 -11.960 -14.253 1.00 55.35 H new ATOM 0 HG CYS A 84 -0.834 -9.809 -12.129 1.00 42.11 H new ATOM 1286 N MET A 85 4.096 -10.862 -12.701 1.00 12.12 N ATOM 1287 CA MET A 85 5.468 -11.007 -13.172 1.00 24.44 C ATOM 1288 C MET A 85 6.220 -12.045 -12.344 1.00 0.13 C ATOM 1289 O MET A 85 7.091 -12.749 -12.854 1.00 64.22 O ATOM 1290 CB MET A 85 6.197 -9.663 -13.110 1.00 33.43 C ATOM 1291 CG MET A 85 5.714 -8.663 -14.147 1.00 44.41 C ATOM 1292 SD MET A 85 6.421 -8.959 -15.779 1.00 74.34 S ATOM 1293 CE MET A 85 5.043 -9.753 -16.605 1.00 4.01 C ATOM 0 H MET A 85 3.917 -10.003 -12.182 1.00 12.12 H new ATOM 0 HA MET A 85 5.436 -11.347 -14.207 1.00 24.44 H new ATOM 0 HB2 MET A 85 6.068 -9.234 -12.116 1.00 33.43 H new ATOM 0 HB3 MET A 85 7.265 -9.831 -13.249 1.00 33.43 H new ATOM 0 HG2 MET A 85 4.627 -8.710 -14.212 1.00 44.41 H new ATOM 0 HG3 MET A 85 5.971 -7.655 -13.821 1.00 44.41 H new ATOM 0 HE1 MET A 85 5.412 -10.569 -17.227 1.00 4.01 H new ATOM 0 HE2 MET A 85 4.352 -10.148 -15.861 1.00 4.01 H new ATOM 0 HE3 MET A 85 4.526 -9.026 -17.231 1.00 4.01 H new ATOM 1303 N LYS A 86 5.878 -12.134 -11.063 1.00 32.11 N ATOM 1304 CA LYS A 86 6.519 -13.086 -10.164 1.00 1.14 C ATOM 1305 C LYS A 86 6.066 -14.511 -10.467 1.00 3.45 C ATOM 1306 O LYS A 86 6.604 -15.473 -9.918 1.00 40.21 O ATOM 1307 CB LYS A 86 6.201 -12.737 -8.708 1.00 23.22 C ATOM 1308 CG LYS A 86 7.403 -12.833 -7.783 1.00 54.43 C ATOM 1309 CD LYS A 86 8.169 -11.522 -7.727 1.00 53.54 C ATOM 1310 CE LYS A 86 9.370 -11.538 -8.660 1.00 24.03 C ATOM 1311 NZ LYS A 86 9.163 -10.664 -9.847 1.00 40.23 N ATOM 0 H LYS A 86 5.160 -11.558 -10.624 1.00 32.11 H new ATOM 0 HA LYS A 86 7.596 -13.026 -10.319 1.00 1.14 H new ATOM 0 HB2 LYS A 86 5.800 -11.724 -8.665 1.00 23.22 H new ATOM 0 HB3 LYS A 86 5.420 -13.405 -8.345 1.00 23.22 H new ATOM 0 HG2 LYS A 86 7.071 -13.105 -6.781 1.00 54.43 H new ATOM 0 HG3 LYS A 86 8.065 -13.628 -8.126 1.00 54.43 H new ATOM 0 HD2 LYS A 86 7.506 -10.700 -7.999 1.00 53.54 H new ATOM 0 HD3 LYS A 86 8.503 -11.338 -6.706 1.00 53.54 H new ATOM 0 HE2 LYS A 86 10.256 -11.209 -8.117 1.00 24.03 H new ATOM 0 HE3 LYS A 86 9.560 -12.559 -8.990 1.00 24.03 H new ATOM 0 HZ1 LYS A 86 10.004 -10.703 -10.458 1.00 40.23 H new ATOM 0 HZ2 LYS A 86 8.333 -10.993 -10.380 1.00 40.23 H new ATOM 0 HZ3 LYS A 86 9.007 -9.685 -9.534 1.00 40.23 H new ATOM 1325 N ASP A 87 5.076 -14.638 -11.343 1.00 64.12 N ATOM 1326 CA ASP A 87 4.553 -15.946 -11.721 1.00 43.21 C ATOM 1327 C ASP A 87 4.251 -16.788 -10.485 1.00 54.25 C ATOM 1328 O ASP A 87 4.523 -17.988 -10.458 1.00 4.01 O ATOM 1329 CB ASP A 87 5.551 -16.678 -12.620 1.00 40.52 C ATOM 1330 CG ASP A 87 5.791 -15.952 -13.930 1.00 34.04 C ATOM 1331 OD1 ASP A 87 4.804 -15.673 -14.643 1.00 12.01 O ATOM 1332 OD2 ASP A 87 6.965 -15.662 -14.241 1.00 34.51 O ATOM 0 H ASP A 87 4.619 -13.852 -11.805 1.00 64.12 H new ATOM 0 HA ASP A 87 3.624 -15.793 -12.271 1.00 43.21 H new ATOM 0 HB2 ASP A 87 6.498 -16.790 -12.091 1.00 40.52 H new ATOM 0 HB3 ASP A 87 5.181 -17.682 -12.827 1.00 40.52 H new ATOM 1337 N ASP A 88 3.687 -16.150 -9.465 1.00 73.54 N ATOM 1338 CA ASP A 88 3.347 -16.841 -8.226 1.00 51.54 C ATOM 1339 C ASP A 88 1.885 -17.278 -8.231 1.00 65.03 C ATOM 1340 O ASP A 88 1.541 -18.334 -7.700 1.00 4.55 O ATOM 1341 CB ASP A 88 3.617 -15.936 -7.023 1.00 64.02 C ATOM 1342 CG ASP A 88 2.597 -14.822 -6.895 1.00 70.12 C ATOM 1343 OD1 ASP A 88 2.513 -13.985 -7.818 1.00 42.32 O ATOM 1344 OD2 ASP A 88 1.881 -14.788 -5.872 1.00 65.25 O ATOM 0 H ASP A 88 3.456 -15.157 -9.471 1.00 73.54 H new ATOM 0 HA ASP A 88 3.973 -17.730 -8.151 1.00 51.54 H new ATOM 0 HB2 ASP A 88 3.612 -16.536 -6.113 1.00 64.02 H new ATOM 0 HB3 ASP A 88 4.613 -15.503 -7.114 1.00 64.02 H new ATOM 1349 N SER A 89 1.030 -16.459 -8.834 1.00 52.14 N ATOM 1350 CA SER A 89 -0.396 -16.759 -8.904 1.00 45.13 C ATOM 1351 C SER A 89 -1.038 -16.066 -10.102 1.00 34.01 C ATOM 1352 O SER A 89 -0.633 -14.957 -10.446 1.00 50.03 O ATOM 1353 CB SER A 89 -1.094 -16.324 -7.614 1.00 65.31 C ATOM 1354 OG SER A 89 -2.223 -17.138 -7.346 1.00 44.32 O ATOM 0 H SER A 89 1.299 -15.583 -9.281 1.00 52.14 H new ATOM 0 HA SER A 89 -0.511 -17.836 -9.025 1.00 45.13 H new ATOM 0 HB2 SER A 89 -0.394 -16.382 -6.781 1.00 65.31 H new ATOM 0 HB3 SER A 89 -1.404 -15.282 -7.698 1.00 65.31 H new ATOM 0 HG SER A 89 -2.651 -16.841 -6.516 1.00 44.32 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.708 2.523 -3.187 1.00 74.31 CA