USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 433 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 SER OG : rot 160:sc= -0.729 USER MOD Set 1.2: A 61 ASN : amide:sc= -0.218 X(o=-0.95,f=-1.1) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -81:sc= 0.647 USER MOD Single : A 23 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-2.4!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= -0.445 (180deg=-1.23) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -175:sc= -8.69! (180deg=-9.79!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -9:sc= 1.01 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.914 -13.867 -16.751 1.00 0.00 N ATOM 26 CA ASP A 11 17.005 -14.831 -17.067 1.00 0.00 C ATOM 27 C ASP A 11 18.348 -14.099 -17.058 1.00 0.00 C ATOM 28 O ASP A 11 18.407 -12.893 -17.198 1.00 0.00 O ATOM 29 CB ASP A 11 16.765 -15.438 -18.451 1.00 0.00 C ATOM 30 CG ASP A 11 16.343 -16.902 -18.300 1.00 0.00 C ATOM 31 OD1 ASP A 11 15.375 -17.149 -17.600 1.00 0.00 O ATOM 32 OD2 ASP A 11 16.996 -17.749 -18.887 1.00 0.00 O ATOM 0 HA ASP A 11 17.017 -15.624 -16.320 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.992 -14.878 -18.976 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.672 -15.370 -19.052 1.00 0.00 H new ATOM 37 N ILE A 12 19.427 -14.814 -16.894 1.00 0.00 N ATOM 38 CA ILE A 12 20.761 -14.151 -16.877 1.00 0.00 C ATOM 39 C ILE A 12 21.506 -14.467 -18.174 1.00 0.00 C ATOM 40 O ILE A 12 21.594 -15.605 -18.590 1.00 0.00 O ATOM 41 CB ILE A 12 21.570 -14.660 -15.682 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.988 -14.087 -14.389 1.00 0.00 C ATOM 43 CG2 ILE A 12 23.027 -14.218 -15.826 1.00 0.00 C ATOM 44 CD1 ILE A 12 21.258 -12.582 -14.332 1.00 0.00 C ATOM 0 H ILE A 12 19.443 -15.826 -16.771 1.00 0.00 H new ATOM 0 HA ILE A 12 20.629 -13.072 -16.791 1.00 0.00 H new ATOM 0 HB ILE A 12 21.523 -15.748 -15.650 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.916 -14.277 -14.345 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.435 -14.581 -13.526 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.603 -14.581 -14.975 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.442 -14.628 -16.746 1.00 0.00 H new ATOM 0 HG23 ILE A 12 23.075 -13.130 -15.860 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.844 -12.173 -13.411 1.00 0.00 H new ATOM 0 HD12 ILE A 12 22.333 -12.404 -14.357 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.790 -12.096 -15.188 1.00 0.00 H new ATOM 56 N VAL A 13 22.042 -13.467 -18.818 1.00 0.00 N ATOM 57 CA VAL A 13 22.778 -13.699 -20.090 1.00 0.00 C ATOM 58 C VAL A 13 24.129 -12.993 -20.018 1.00 0.00 C ATOM 59 O VAL A 13 24.301 -12.046 -19.276 1.00 0.00 O ATOM 60 CB VAL A 13 21.970 -13.119 -21.252 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.914 -14.133 -21.694 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.281 -11.829 -20.802 1.00 0.00 C ATOM 0 H VAL A 13 22.001 -12.494 -18.515 1.00 0.00 H new ATOM 0 HA VAL A 13 22.926 -14.768 -20.243 1.00 0.00 H new ATOM 0 HB VAL A 13 22.638 -12.902 -22.086 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.338 -13.721 -22.522 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.404 -15.052 -22.015 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.247 -14.350 -20.860 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.705 -11.416 -21.630 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.613 -12.045 -19.968 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.033 -11.106 -20.487 1.00 0.00 H new ATOM 72 N VAL A 14 25.089 -13.426 -20.785 1.00 0.00 N ATOM 73 CA VAL A 14 26.410 -12.745 -20.742 1.00 0.00 C ATOM 74 C VAL A 14 26.648 -12.036 -22.075 1.00 0.00 C ATOM 75 O VAL A 14 26.418 -12.584 -23.135 1.00 0.00 O ATOM 76 CB VAL A 14 27.522 -13.762 -20.477 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.464 -14.868 -21.534 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.881 -13.063 -20.544 1.00 0.00 C ATOM 0 H VAL A 14 25.018 -14.212 -21.432 1.00 0.00 H new ATOM 0 HA VAL A 14 26.417 -12.014 -19.934 1.00 0.00 H new ATOM 0 HB VAL A 14 27.387 -14.198 -19.487 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.256 -15.593 -21.346 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.496 -15.367 -21.486 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.599 -14.432 -22.524 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.673 -13.788 -20.355 1.00 0.00 H new ATOM 0 HG22 VAL A 14 29.017 -12.626 -21.533 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.923 -12.276 -19.791 1.00 0.00 H new ATOM 88 N ALA A 15 27.096 -10.814 -22.025 1.00 0.00 N ATOM 89 CA ALA A 15 27.340 -10.049 -23.276 1.00 0.00 C ATOM 90 C ALA A 15 28.326 -10.798 -24.171 1.00 0.00 C ATOM 91 O ALA A 15 29.468 -11.013 -23.816 1.00 0.00 O ATOM 92 CB ALA A 15 27.924 -8.679 -22.922 1.00 0.00 C ATOM 0 H ALA A 15 27.305 -10.309 -21.164 1.00 0.00 H new ATOM 0 HA ALA A 15 26.397 -9.929 -23.809 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.105 -8.113 -23.836 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.220 -8.135 -22.292 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.863 -8.812 -22.385 1.00 0.00 H new ATOM 98 N LEU A 16 27.897 -11.177 -25.343 1.00 0.00 N ATOM 99 CA LEU A 16 28.810 -11.889 -26.277 1.00 0.00 C ATOM 100 C LEU A 16 29.498 -10.845 -27.153 1.00 0.00 C ATOM 101 O LEU A 16 30.607 -11.027 -27.614 1.00 0.00 O ATOM 102 CB LEU A 16 28.003 -12.841 -27.161 1.00 0.00 C ATOM 103 CG LEU A 16 27.663 -14.106 -26.373 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.502 -14.832 -27.054 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.886 -15.024 -26.330 1.00 0.00 C ATOM 0 H LEU A 16 26.952 -11.023 -25.694 1.00 0.00 H new ATOM 0 HA LEU A 16 29.547 -12.465 -25.718 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.088 -12.353 -27.498 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.575 -13.098 -28.053 1.00 0.00 H new ATOM 0 HG LEU A 16 27.377 -13.836 -25.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.258 -15.734 -26.493 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.631 -14.177 -27.084 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.788 -15.103 -28.070 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.644 -15.926 -25.768 1.00 0.00 H new ATOM 0 HD22 LEU A 16 29.173 -15.295 -27.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.713 -14.506 -25.845 1.00 0.00 H new ATOM 117 N TYR A 17 28.830 -9.748 -27.383 1.00 0.00 N ATOM 118 CA TYR A 17 29.409 -8.670 -28.225 1.00 0.00 C ATOM 119 C TYR A 17 29.127 -7.315 -27.571 1.00 0.00 C ATOM 120 O TYR A 17 28.070 -7.099 -27.012 1.00 0.00 O ATOM 121 CB TYR A 17 28.747 -8.705 -29.605 1.00 0.00 C ATOM 122 CG TYR A 17 29.294 -9.870 -30.397 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.538 -9.763 -31.031 1.00 0.00 C ATOM 124 CD2 TYR A 17 28.557 -11.055 -30.498 1.00 0.00 C ATOM 125 CE1 TYR A 17 31.044 -10.843 -31.765 1.00 0.00 C ATOM 126 CE2 TYR A 17 29.061 -12.134 -31.233 1.00 0.00 C ATOM 127 CZ TYR A 17 30.306 -12.028 -31.866 1.00 0.00 C ATOM 128 OH TYR A 17 30.804 -13.092 -32.592 1.00 0.00 O ATOM 0 H TYR A 17 27.898 -9.553 -27.018 1.00 0.00 H new ATOM 0 HA TYR A 17 30.485 -8.816 -28.324 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.666 -8.799 -29.499 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.936 -7.771 -30.134 1.00 0.00 H new ATOM 0 HD1 TYR A 17 31.107 -8.848 -30.954 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.598 -11.137 -30.008 1.00 0.00 H new ATOM 0 HE1 TYR A 17 32.004 -10.762 -32.253 1.00 0.00 H new ATOM 0 HE2 TYR A 17 28.491 -13.048 -31.312 1.00 0.00 H new ATOM 0 HH TYR A 17 30.168 -13.837 -32.560 1.00 0.00 H new ATOM 138 N PRO A 18 30.081 -6.379 -27.657 1.00 0.00 N ATOM 139 CA PRO A 18 29.927 -5.032 -27.089 1.00 0.00 C ATOM 140 C PRO A 18 28.759 -4.278 -27.736 1.00 0.00 C ATOM 141 O PRO A 18 28.530 -4.368 -28.926 1.00 0.00 O ATOM 142 CB PRO A 18 31.262 -4.356 -27.419 1.00 0.00 C ATOM 143 CG PRO A 18 31.772 -5.122 -28.591 1.00 0.00 C ATOM 144 CD PRO A 18 31.383 -6.546 -28.316 1.00 0.00 C ATOM 0 HA PRO A 18 29.704 -5.049 -26.022 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.127 -3.301 -27.659 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.953 -4.405 -26.578 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.330 -4.764 -29.521 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.853 -5.019 -28.691 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.306 -7.133 -29.231 1.00 0.00 H new ATOM 0 HD3 PRO A 18 32.105 -7.050 -27.674 1.00 0.00 H new ATOM 152 N TYR A 19 28.008 -3.550 -26.954 1.00 0.00 N ATOM 153 CA TYR A 19 26.840 -2.807 -27.509 1.00 0.00 C ATOM 154 C TYR A 19 26.829 -1.376 -26.972 1.00 0.00 C ATOM 155 O TYR A 19 26.854 -1.158 -25.777 1.00 0.00 O ATOM 156 CB TYR A 19 25.554 -3.504 -27.064 1.00 0.00 C ATOM 157 CG TYR A 19 24.381 -2.961 -27.851 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.681 -1.839 -27.388 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.992 -3.585 -29.043 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.592 -1.342 -28.118 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.904 -3.087 -29.771 1.00 0.00 C ATOM 162 CZ TYR A 19 22.204 -1.967 -29.308 1.00 0.00 C ATOM 163 OH TYR A 19 21.133 -1.477 -30.027 1.00 0.00 O ATOM 0 H TYR A 19 28.154 -3.438 -25.951 1.00 0.00 H new ATOM 0 HA TYR A 19 26.910 -2.788 -28.597 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.640 -4.580 -27.217 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.393 -3.346 -25.998 1.00 0.00 H new ATOM 0 HD1 TYR A 19 23.980 -1.357 -26.469 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.531 -4.450 -29.401 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.053 -0.477 -27.762 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.605 -3.568 -30.691 1.00 0.00 H new ATOM 0 HH TYR A 19 20.297 -1.802 -29.632 1.00 0.00 H new ATOM 173 N ASP A 20 26.774 -0.398 -27.830 1.00 0.00 N ATOM 174 CA ASP A 20 26.738 1.006 -27.335 1.00 0.00 C ATOM 175 C ASP A 20 25.305 1.525 -27.451 1.00 0.00 C ATOM 176 O ASP A 20 24.809 1.777 -28.530 1.00 0.00 O ATOM 177 CB ASP A 20 27.687 1.882 -28.156 1.00 0.00 C ATOM 178 CG ASP A 20 28.971 1.105 -28.454 1.00 0.00 C ATOM 179 OD1 ASP A 20 29.809 1.025 -27.571 1.00 0.00 O ATOM 180 OD2 ASP A 20 29.093 0.603 -29.558 1.00 0.00 O ATOM 0 H ASP A 20 26.753 -0.507 -28.844 1.00 0.00 H new ATOM 0 HA ASP A 20 27.061 1.040 -26.294 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.207 2.183 -29.087 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.921 2.795 -27.609 1.00 0.00 H new ATOM 185 N GLY A 21 24.639 1.663 -26.335 1.00 0.00 N ATOM 186 CA GLY A 21 23.226 2.142 -26.337 1.00 0.00 C ATOM 187 C GLY A 21 22.970 3.078 -27.517 1.00 0.00 C ATOM 188 O GLY A 21 23.138 4.277 -27.422 1.00 0.00 O ATOM 0 H GLY A 21 25.020 1.461 -25.410 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.549 1.290 -26.390 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.012 2.661 -25.403 1.00 0.00 H new ATOM 192 N ILE A 22 22.536 2.538 -28.622 1.00 0.00 N ATOM 193 CA ILE A 22 22.238 3.394 -29.800 1.00 0.00 C ATOM 194 C ILE A 22 20.872 4.040 -29.583 1.00 0.00 C ATOM 195 O ILE A 22 20.737 5.247 -29.558 1.00 0.00 O ATOM 196 CB ILE A 22 22.204 2.531 -31.064 1.00 0.00 C ATOM 197 CG1 ILE A 22 23.429 1.614 -31.090 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.217 3.435 -32.298 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.687 2.450 -31.335 1.00 0.00 C ATOM 0 H ILE A 22 22.375 1.540 -28.758 1.00 0.00 H new ATOM 0 HA ILE A 22 23.004 4.160 -29.917 1.00 0.00 H new ATOM 0 HB ILE A 22 21.298 1.925 -31.066 1.00 0.00 H new ATOM 0 HG12 ILE A 22 23.515 1.077 -30.145 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.319 0.865 -31.874 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.193 2.822 -33.199 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.344 4.088 -32.280 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.123 4.041 -32.296 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.560 1.797 -31.354 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.600 2.967 -32.291 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.799 3.182 -30.535 1.00 0.00 H new ATOM 211 N HIS A 23 19.862 3.238 -29.419 1.00 0.00 N ATOM 212 CA HIS A 23 18.497 3.785 -29.194 1.00 0.00 C ATOM 213 C HIS A 23 18.455 4.487 -27.834 1.00 0.00 C ATOM 214 O HIS A 23 19.412 4.466 -27.086 1.00 0.00 O ATOM 215 CB HIS A 23 17.480 2.643 -29.209 1.00 0.00 C ATOM 216 CG HIS A 23 16.574 2.796 -30.400 1.00 0.00 C ATOM 217 ND1 HIS A 23 15.435 2.022 -30.566 1.00 0.00 N ATOM 218 CD2 HIS A 23 16.623 3.628 -31.490 1.00 0.00 C ATOM 219 CE1 HIS A 23 14.853 2.400 -31.718 1.00 0.00 C ATOM 220 NE2 HIS A 23 15.535 3.377 -32.322 1.00 0.00 N ATOM 0 H HIS A 23 19.922 2.220 -29.431 1.00 0.00 H new ATOM 0 HA HIS A 23 18.253 4.497 -29.983 1.00 0.00 H new ATOM 0 HB2 HIS A 23 17.995 1.683 -29.251 1.00 0.00 H new ATOM 0 HB3 HIS A 23 16.895 2.651 -28.290 1.00 0.00 H new ATOM 0 HD2 HIS A 23 17.390 4.366 -31.675 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.944 1.966 -32.108 1.00 0.00 H new ATOM 0 HE2 HIS A 23 15.308 3.839 -33.202 1.00 0.00 H new ATOM 228 N PRO A 24 17.319 5.121 -27.514 1.00 0.00 N ATOM 229 CA PRO A 24 17.142 5.836 -26.244 1.00 0.00 C ATOM 230 C PRO A 24 17.017 4.876 -25.056 1.00 0.00 C ATOM 231 O PRO A 24 17.305 5.229 -23.929 1.00 0.00 O ATOM 232 CB PRO A 24 15.827 6.589 -26.439 1.00 0.00 C ATOM 233 CG PRO A 24 15.083 5.796 -27.461 1.00 0.00 C ATOM 234 CD PRO A 24 16.119 5.191 -28.367 1.00 0.00 C ATOM 0 HA PRO A 24 17.993 6.479 -26.019 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.267 6.656 -25.506 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.002 7.609 -26.780 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.481 5.021 -26.988 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.399 6.432 -28.023 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.818 4.204 -28.719 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.289 5.806 -29.250 1.00 0.00 H new ATOM 242 N ASP A 25 16.576 3.673 -25.297 1.00 0.00 N ATOM 243 CA ASP A 25 16.416 2.699 -24.178 1.00 0.00 C ATOM 244 C ASP A 25 17.421 1.552 -24.323 1.00 0.00 C ATOM 245 O ASP A 25 17.556 0.725 -23.443 1.00 0.00 O ATOM 246 CB ASP A 25 14.997 2.128 -24.211 1.00 0.00 C ATOM 247 CG ASP A 25 13.995 3.234 -23.873 1.00 0.00 C ATOM 248 OD1 ASP A 25 13.968 3.652 -22.728 1.00 0.00 O ATOM 249 OD2 ASP A 25 13.272 3.644 -24.767 1.00 0.00 O ATOM 0 H ASP A 25 16.319 3.321 -26.219 1.00 0.00 H new ATOM 0 HA ASP A 25 16.595 3.211 -23.233 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.782 1.716 -25.197 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.906 1.309 -23.497 1.00 0.00 H new ATOM 254 N ASP A 26 18.120 1.484 -25.423 1.00 0.00 N ATOM 255 CA ASP A 26 19.100 0.379 -25.609 1.00 0.00 C ATOM 256 C ASP A 26 20.163 0.441 -24.512 1.00 0.00 C ATOM 257 O ASP A 26 20.866 1.423 -24.376 1.00 0.00 O ATOM 258 CB ASP A 26 19.780 0.528 -26.970 1.00 0.00 C ATOM 259 CG ASP A 26 19.219 -0.514 -27.938 1.00 0.00 C ATOM 260 OD1 ASP A 26 18.178 -0.256 -28.518 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.841 -1.555 -28.083 1.00 0.00 O ATOM 0 H ASP A 26 18.055 2.144 -26.198 1.00 0.00 H new ATOM 0 HA ASP A 26 18.577 -0.576 -25.557 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.615 1.531 -27.363 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.857 0.400 -26.866 1.00 0.00 H new ATOM 266 N LEU A 27 20.304 -0.598 -23.734 1.00 0.00 N ATOM 267 CA LEU A 27 21.340 -0.581 -22.665 1.00 0.00 C ATOM 268 C LEU A 27 22.670 -1.032 -23.275 1.00 0.00 C ATOM 269 O LEU A 27 22.728 -1.989 -24.022 1.00 0.00 O ATOM 270 CB LEU A 27 20.913 -1.520 -21.526 1.00 0.00 C ATOM 271 CG LEU A 27 22.126 -1.955 -20.696 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.889 -3.056 -21.434 1.00 0.00 C ATOM 273 CD2 LEU A 27 23.047 -0.755 -20.458 1.00 0.00 C ATOM 0 H LEU A 27 19.750 -1.452 -23.792 1.00 0.00 H new ATOM 0 HA LEU A 27 21.455 0.422 -22.255 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.190 -1.016 -20.885 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.416 -2.398 -21.939 1.00 0.00 H new ATOM 0 HG LEU A 27 21.784 -2.339 -19.735 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.750 -3.362 -20.841 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.233 -3.912 -21.589 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.229 -2.679 -22.399 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.908 -1.069 -19.868 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.388 -0.362 -21.416 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.502 0.021 -19.921 1.00 0.00 H new ATOM 285 N SER A 28 23.736 -0.340 -22.980 1.00 0.00 N ATOM 286 CA SER A 28 25.057 -0.713 -23.561 1.00 0.00 C ATOM 287 C SER A 28 25.721 -1.812 -22.729 1.00 0.00 C ATOM 288 O SER A 28 25.743 -1.763 -21.516 1.00 0.00 O ATOM 289 CB SER A 28 25.964 0.519 -23.570 1.00 0.00 C ATOM 290 OG SER A 28 26.735 0.547 -22.378 1.00 0.00 O ATOM 0 H SER A 28 23.749 0.470 -22.360 1.00 0.00 H new ATOM 0 HA SER A 28 24.903 -1.082 -24.575 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.620 0.494 -24.440 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.364 1.425 -23.649 1.00 0.00 H new ATOM 0 HG SER A 28 27.317 1.335 -22.384 1.00 0.00 H new ATOM 296 N PHE A 29 26.291 -2.788 -23.379 1.00 0.00 N ATOM 297 CA PHE A 29 26.986 -3.873 -22.636 1.00 0.00 C ATOM 298 C PHE A 29 28.281 -4.218 -23.372 1.00 0.00 C ATOM 299 O PHE A 29 28.359 -4.124 -24.581 1.00 0.00 O ATOM 300 CB PHE A 29 26.092 -5.114 -22.529 1.00 0.00 C ATOM 301 CG PHE A 29 25.432 -5.423 -23.854 1.00 0.00 C ATOM 302 CD1 PHE A 29 26.080 -6.243 -24.785 1.00 0.00 C ATOM 303 CD2 PHE A 29 24.160 -4.912 -24.137 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.458 -6.548 -26.003 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.535 -5.220 -25.352 1.00 0.00 C ATOM 306 CZ PHE A 29 24.184 -6.039 -26.285 1.00 0.00 C ATOM 0 H PHE A 29 26.305 -2.880 -24.395 1.00 0.00 H new ATOM 0 HA PHE A 29 27.212 -3.534 -21.625 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.687 -5.969 -22.207 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.329 -4.952 -21.768 1.00 0.00 H new ATOM 0 HD1 PHE A 29 27.060 -6.641 -24.565 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.660 -4.280 -23.418 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.961 -7.175 -26.724 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.553 -4.826 -25.569 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.702 -6.278 -27.222 1.00 0.00 H new ATOM 316 N LYS A 30 29.302 -4.603 -22.660 1.00 0.00 N ATOM 317 CA LYS A 30 30.588 -4.934 -23.333 1.00 0.00 C ATOM 318 C LYS A 30 30.799 -6.444 -23.313 1.00 0.00 C ATOM 319 O LYS A 30 30.505 -7.103 -22.336 1.00 0.00 O ATOM 320 CB LYS A 30 31.738 -4.252 -22.590 1.00 0.00 C ATOM 321 CG LYS A 30 31.929 -2.836 -23.135 1.00 0.00 C ATOM 322 CD LYS A 30 33.149 -2.194 -22.472 1.00 0.00 C ATOM 323 CE LYS A 30 34.400 -3.010 -22.806 1.00 0.00 C ATOM 324 NZ LYS A 30 34.352 -3.429 -24.235 1.00 0.00 N ATOM 0 H LYS A 30 29.302 -4.703 -21.645 1.00 0.00 H new ATOM 0 HA LYS A 30 30.559 -4.584 -24.365 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.524 -4.216 -21.522 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.656 -4.827 -22.712 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.063 -2.866 -24.216 1.00 0.00 H new ATOM 0 HG3 LYS A 30 31.039 -2.237 -22.941 1.00 0.00 H new ATOM 0 HD2 LYS A 30 33.267 -1.168 -22.820 1.00 0.00 H new ATOM 0 HD3 LYS A 30 33.008 -2.150 -21.392 1.00 0.00 H new ATOM 0 HE2 LYS A 30 35.295 -2.416 -22.620 1.00 0.00 H new ATOM 0 HE3 LYS A 30 34.459 -3.886 -22.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 35.310 -3.675 -24.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 33.731 -4.257 -24.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 33.982 -2.648 -24.814 1.00 0.00 H new ATOM 338 N LYS A 31 31.314 -7.003 -24.375 1.00 0.00 N ATOM 339 CA LYS A 31 31.545 -8.472 -24.386 1.00 0.00 C ATOM 340 C LYS A 31 32.131 -8.878 -23.035 1.00 0.00 C ATOM 341 O LYS A 31 32.789 -8.098 -22.374 1.00 0.00 O ATOM 342 CB LYS A 31 32.520 -8.850 -25.499 1.00 0.00 C ATOM 343 CG LYS A 31 33.797 -8.019 -25.364 1.00 0.00 C ATOM 344 CD LYS A 31 34.871 -8.846 -24.655 1.00 0.00 C ATOM 345 CE LYS A 31 35.749 -7.925 -23.807 1.00 0.00 C ATOM 346 NZ LYS A 31 37.160 -8.403 -23.851 1.00 0.00 N ATOM 0 H LYS A 31 31.582 -6.510 -25.227 1.00 0.00 H new ATOM 0 HA LYS A 31 30.602 -8.988 -24.563 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.757 -9.912 -25.443 1.00 0.00 H new ATOM 0 HB3 LYS A 31 32.062 -8.676 -26.473 1.00 0.00 H new ATOM 0 HG2 LYS A 31 34.150 -7.712 -26.349 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.593 -7.108 -24.801 1.00 0.00 H new ATOM 0 HD2 LYS A 31 34.405 -9.603 -24.024 1.00 0.00 H new ATOM 0 HD3 LYS A 31 35.481 -9.374 -25.388 1.00 0.00 H new ATOM 0 HE2 LYS A 31 35.689 -6.903 -24.180 1.00 0.00 H new ATOM 0 HE3 LYS A 31 35.391 -7.910 -22.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 37.757 -7.776 -23.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 37.210 -9.371 -23.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 37.499 -8.395 -24.834 1.00 0.00 H new ATOM 360 N GLY A 32 31.891 -10.085 -22.611 1.00 0.00 N ATOM 361 CA GLY A 32 32.428 -10.531 -21.293 1.00 0.00 C ATOM 362 C GLY A 32 31.564 -9.959 -20.159 1.00 0.00 C ATOM 363 O GLY A 32 31.627 -10.412 -19.033 1.00 0.00 O ATOM 0 H GLY A 32 31.347 -10.783 -23.118 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.436 -11.620 -21.243 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.460 -10.199 -21.179 1.00 0.00 H new ATOM 367 N GLU A 33 30.756 -8.970 -20.444 1.00 0.00 N ATOM 368 CA GLU A 33 29.893 -8.375 -19.381 1.00 0.00 C ATOM 369 C GLU A 33 28.623 -9.217 -19.221 1.00 0.00 C ATOM 370 O GLU A 33 28.173 -9.859 -20.145 1.00 0.00 O ATOM 371 CB GLU A 33 29.514 -6.943 -19.766 1.00 0.00 C ATOM 372 CG GLU A 33 29.283 -6.117 -18.499 1.00 0.00 C ATOM 373 CD GLU A 33 30.626 -5.613 -17.966 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.505 -5.362 -18.775 1.00 0.00 O ATOM 375 OE2 GLU A 33 30.752 -5.487 -16.760 1.00 0.00 O ATOM 0 H GLU A 33 30.657 -8.549 -21.368 1.00 0.00 H new ATOM 0 HA GLU A 33 30.440 -8.361 -18.438 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.306 -6.495 -20.366 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.613 -6.947 -20.380 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.627 -5.274 -18.716 1.00 0.00 H new ATOM 0 HG3 GLU A 33 28.784 -6.723 -17.743 1.00 0.00 H new ATOM 382 N LYS A 34 28.053 -9.225 -18.043 1.00 0.00 N ATOM 383 CA LYS A 34 26.821 -10.034 -17.809 1.00 0.00 C ATOM 384 C LYS A 34 25.597 -9.119 -17.725 1.00 0.00 C ATOM 385 O LYS A 34 25.667 -8.002 -17.252 1.00 0.00 O ATOM 386 CB LYS A 34 26.966 -10.809 -16.497 1.00 0.00 C ATOM 387 CG LYS A 34 28.148 -11.774 -16.602 1.00 0.00 C ATOM 388 CD LYS A 34 28.934 -11.762 -15.289 1.00 0.00 C ATOM 389 CE LYS A 34 29.095 -13.195 -14.778 1.00 0.00 C ATOM 390 NZ LYS A 34 30.508 -13.418 -14.360 1.00 0.00 N ATOM 0 H LYS A 34 28.389 -8.705 -17.232 1.00 0.00 H new ATOM 0 HA LYS A 34 26.689 -10.729 -18.638 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.120 -10.117 -15.669 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.050 -11.361 -16.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.791 -12.782 -16.815 1.00 0.00 H new ATOM 0 HG3 LYS A 34 28.796 -11.484 -17.429 1.00 0.00 H new ATOM 0 HD2 LYS A 34 29.913 -11.307 -15.443 1.00 0.00 H new ATOM 0 HD3 LYS A 34 28.414 -11.156 -14.547 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.424 -13.370 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 34 28.819 -13.904 -15.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 30.618 -14.392 -14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 31.138 -13.267 -15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 30.755 -12.750 -13.602 1.00 0.00 H new ATOM 404 N MET A 35 24.476 -9.600 -18.186 1.00 0.00 N ATOM 405 CA MET A 35 23.225 -8.792 -18.152 1.00 0.00 C ATOM 406 C MET A 35 22.057 -9.677 -17.730 1.00 0.00 C ATOM 407 O MET A 35 22.072 -10.879 -17.905 1.00 0.00 O ATOM 408 CB MET A 35 22.927 -8.246 -19.544 1.00 0.00 C ATOM 409 CG MET A 35 23.357 -6.779 -19.626 1.00 0.00 C ATOM 410 SD MET A 35 23.250 -6.214 -21.343 1.00 0.00 S ATOM 411 CE MET A 35 23.980 -7.676 -22.119 1.00 0.00 C ATOM 0 H MET A 35 24.372 -10.531 -18.590 1.00 0.00 H new ATOM 0 HA MET A 35 23.355 -7.972 -17.445 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.455 -8.832 -20.296 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.862 -8.336 -19.760 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.719 -6.166 -18.990 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.377 -6.667 -19.258 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.093 -7.502 -23.189 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.957 -7.872 -21.678 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.330 -8.536 -21.958 1.00 0.00 H new ATOM 421 N LYS A 36 21.039 -9.080 -17.182 1.00 0.00 N ATOM 422 CA LYS A 36 19.851 -9.864 -16.751 1.00 0.00 C ATOM 423 C LYS A 36 18.616 -9.305 -17.454 1.00 0.00 C ATOM 424 O LYS A 36 18.458 -8.111 -17.581 1.00 0.00 O ATOM 425 CB LYS A 36 19.678 -9.743 -15.235 1.00 0.00 C ATOM 426 CG LYS A 36 19.417 -8.282 -14.867 1.00 0.00 C ATOM 427 CD LYS A 36 20.247 -7.911 -13.635 1.00 0.00 C ATOM 428 CE LYS A 36 19.747 -8.704 -12.426 1.00 0.00 C ATOM 429 NZ LYS A 36 18.582 -7.999 -11.818 1.00 0.00 N ATOM 0 H LYS A 36 20.978 -8.076 -17.013 1.00 0.00 H new ATOM 0 HA LYS A 36 19.984 -10.914 -17.011 1.00 0.00 H new ATOM 0 HB2 LYS A 36 18.849 -10.367 -14.902 1.00 0.00 H new ATOM 0 HB3 LYS A 36 20.572 -10.103 -14.726 1.00 0.00 H new ATOM 0 HG2 LYS A 36 19.677 -7.633 -15.703 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.357 -8.131 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.300 -8.127 -13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 36 20.169 -6.842 -13.439 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.458 -9.710 -12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.545 -8.810 -11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.241 -8.537 -10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.872 -7.048 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.819 -7.920 -12.520 1.00 0.00 H new ATOM 443 N VAL A 37 17.740 -10.155 -17.908 1.00 0.00 N ATOM 444 CA VAL A 37 16.517 -9.659 -18.603 1.00 0.00 C ATOM 445 C VAL A 37 15.313 -9.799 -17.669 1.00 0.00 C ATOM 446 O VAL A 37 14.967 -10.883 -17.241 1.00 0.00 O ATOM 447 CB VAL A 37 16.292 -10.472 -19.885 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.748 -11.915 -19.666 1.00 0.00 C ATOM 449 CG2 VAL A 37 14.807 -10.456 -20.259 1.00 0.00 C ATOM 0 H VAL A 37 17.816 -11.169 -17.829 1.00 0.00 H new ATOM 0 HA VAL A 37 16.642 -8.609 -18.868 1.00 0.00 H new ATOM 0 HB VAL A 37 16.871 -10.027 -20.695 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.587 -12.490 -20.578 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.808 -11.927 -19.412 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.175 -12.358 -18.852 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.655 -11.035 -21.170 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.223 -10.893 -19.449 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.485 -9.428 -20.424 1.00 0.00 H new ATOM 459 N LEU A 38 14.679 -8.706 -17.340 1.00 0.00 N ATOM 460 CA LEU A 38 13.506 -8.768 -16.422 1.00 0.00 C ATOM 461 C LEU A 38 12.211 -8.867 -17.233 1.00 0.00 C ATOM 462 O LEU A 38 11.219 -9.392 -16.766 1.00 0.00 O ATOM 463 CB LEU A 38 13.469 -7.507 -15.558 1.00 0.00 C ATOM 464 CG LEU A 38 14.897 -7.083 -15.209 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.220 -5.760 -15.905 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.022 -6.906 -13.695 1.00 0.00 C ATOM 0 H LEU A 38 14.923 -7.772 -17.668 1.00 0.00 H new ATOM 0 HA LEU A 38 13.597 -9.648 -15.785 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.960 -6.704 -16.091 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.901 -7.695 -14.647 1.00 0.00 H new ATOM 0 HG LEU A 38 15.595 -7.850 -15.543 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.237 -5.457 -15.657 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.132 -5.886 -16.984 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.521 -4.993 -15.571 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.039 -6.604 -13.447 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.324 -6.139 -13.359 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.792 -7.849 -13.198 1.00 0.00 H new ATOM 478 N GLU A 39 12.202 -8.365 -18.438 1.00 0.00 N ATOM 479 CA GLU A 39 10.962 -8.438 -19.258 1.00 0.00 C ATOM 480 C GLU A 39 11.309 -8.952 -20.652 1.00 0.00 C ATOM 481 O GLU A 39 12.275 -8.531 -21.256 1.00 0.00 O ATOM 482 CB GLU A 39 10.340 -7.044 -19.368 1.00 0.00 C ATOM 483 CG GLU A 39 9.061 -6.988 -18.531 1.00 0.00 C ATOM 484 CD GLU A 39 7.846 -6.928 -19.459 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.021 -6.553 -20.607 1.00 0.00 O ATOM 486 OE2 GLU A 39 6.762 -7.257 -19.007 1.00 0.00 O ATOM 0 H GLU A 39 12.996 -7.910 -18.887 1.00 0.00 H new ATOM 0 HA GLU A 39 10.251 -9.115 -18.785 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.047 -6.290 -19.022 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.116 -6.816 -20.410 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.997 -7.865 -17.887 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.078 -6.114 -17.880 1.00 0.00 H new ATOM 493 N GLU A 40 10.528 -9.858 -21.174 1.00 0.00 N ATOM 494 CA GLU A 40 10.817 -10.392 -22.532 1.00 0.00 C ATOM 495 C GLU A 40 9.769 -9.868 -23.513 1.00 0.00 C ATOM 496 O GLU A 40 8.586 -9.871 -23.234 1.00 0.00 O ATOM 497 CB GLU A 40 10.776 -11.921 -22.501 1.00 0.00 C ATOM 498 CG GLU A 40 10.706 -12.462 -23.931 1.00 0.00 C ATOM 499 CD GLU A 40 9.279 -12.925 -24.233 1.00 0.00 C ATOM 500 OE1 GLU A 40 8.494 -12.105 -24.680 1.00 0.00 O ATOM 501 OE2 GLU A 40 8.997 -14.090 -24.013 1.00 0.00 O ATOM 0 H GLU A 40 9.704 -10.250 -20.718 1.00 0.00 H new ATOM 0 HA GLU A 40 11.808 -10.067 -22.850 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.662 -12.308 -21.998 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.911 -12.260 -21.930 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.006 -11.689 -24.639 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.402 -13.292 -24.051 1.00 0.00 H new ATOM 508 N HIS A 41 10.193 -9.417 -24.659 1.00 0.00 N ATOM 509 CA HIS A 41 9.224 -8.893 -25.660 1.00 0.00 C ATOM 510 C HIS A 41 9.344 -9.711 -26.944 1.00 0.00 C ATOM 511 O HIS A 41 9.202 -9.199 -28.037 1.00 0.00 O ATOM 512 CB HIS A 41 9.548 -7.428 -25.956 1.00 0.00 C ATOM 513 CG HIS A 41 9.015 -6.561 -24.848 1.00 0.00 C ATOM 514 ND1 HIS A 41 7.760 -5.976 -24.908 1.00 0.00 N ATOM 515 CD2 HIS A 41 9.555 -6.170 -23.648 1.00 0.00 C ATOM 516 CE1 HIS A 41 7.587 -5.271 -23.774 1.00 0.00 C ATOM 517 NE2 HIS A 41 8.651 -5.356 -22.972 1.00 0.00 N ATOM 0 H HIS A 41 11.171 -9.388 -24.947 1.00 0.00 H new ATOM 0 HA HIS A 41 8.209 -8.969 -25.270 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.626 -7.295 -26.050 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.107 -7.132 -26.908 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.532 -6.451 -23.284 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.696 -4.706 -23.542 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.775 -4.918 -22.059 1.00 0.00 H new ATOM 525 N GLY A 42 9.612 -10.981 -26.820 1.00 0.00 N ATOM 526 CA GLY A 42 9.749 -11.837 -28.029 1.00 0.00 C ATOM 527 C GLY A 42 11.225 -11.909 -28.427 1.00 0.00 C ATOM 528 O GLY A 42 12.026 -12.542 -27.768 1.00 0.00 O ATOM 0 H GLY A 42 9.742 -11.463 -25.931 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.365 -12.837 -27.827 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.158 -11.428 -28.848 1.00 0.00 H new ATOM 532 N GLU A 43 11.589 -11.270 -29.503 1.00 0.00 N ATOM 533 CA GLU A 43 13.011 -11.307 -29.946 1.00 0.00 C ATOM 534 C GLU A 43 13.814 -10.223 -29.220 1.00 0.00 C ATOM 535 O GLU A 43 15.023 -10.157 -29.335 1.00 0.00 O ATOM 536 CB GLU A 43 13.079 -11.064 -31.455 1.00 0.00 C ATOM 537 CG GLU A 43 14.539 -10.877 -31.876 1.00 0.00 C ATOM 538 CD GLU A 43 14.623 -10.800 -33.402 1.00 0.00 C ATOM 539 OE1 GLU A 43 13.586 -10.897 -34.038 1.00 0.00 O ATOM 540 OE2 GLU A 43 15.723 -10.647 -33.907 1.00 0.00 O ATOM 0 H GLU A 43 10.964 -10.724 -30.095 1.00 0.00 H new ATOM 0 HA GLU A 43 13.434 -12.284 -29.710 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.640 -11.906 -31.990 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.497 -10.181 -31.719 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.943 -9.967 -31.432 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.144 -11.706 -31.509 1.00 0.00 H new ATOM 547 N TRP A 44 13.161 -9.365 -28.480 1.00 0.00 N ATOM 548 CA TRP A 44 13.909 -8.290 -27.767 1.00 0.00 C ATOM 549 C TRP A 44 13.461 -8.211 -26.303 1.00 0.00 C ATOM 550 O TRP A 44 12.293 -8.321 -25.993 1.00 0.00 O ATOM 551 CB TRP A 44 13.644 -6.947 -28.450 1.00 0.00 C ATOM 552 CG TRP A 44 14.464 -6.850 -29.696 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.333 -7.654 -30.776 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.535 -5.913 -30.010 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.256 -7.270 -31.733 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.019 -6.201 -31.307 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.126 -4.851 -29.302 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.055 -5.463 -31.882 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.168 -4.106 -29.878 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.632 -4.411 -31.165 1.00 0.00 C ATOM 0 H TRP A 44 12.151 -9.362 -28.340 1.00 0.00 H new ATOM 0 HA TRP A 44 14.974 -8.520 -27.800 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.585 -6.852 -28.691 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.892 -6.128 -27.774 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.624 -8.463 -30.875 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.360 -7.721 -32.642 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.776 -4.607 -28.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.408 -5.703 -32.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.615 -3.293 -29.326 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.434 -3.834 -31.602 1.00 0.00 H new ATOM 571 N TRP A 45 14.388 -8.003 -25.406 1.00 0.00 N ATOM 572 CA TRP A 45 14.023 -7.894 -23.962 1.00 0.00 C ATOM 573 C TRP A 45 14.789 -6.729 -23.337 1.00 0.00 C ATOM 574 O TRP A 45 15.739 -6.224 -23.903 1.00 0.00 O ATOM 575 CB TRP A 45 14.384 -9.184 -23.213 1.00 0.00 C ATOM 576 CG TRP A 45 14.578 -10.314 -24.173 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.702 -10.678 -25.137 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.699 -11.238 -24.264 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.221 -11.764 -25.821 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.451 -12.145 -25.319 1.00 0.00 C ATOM 581 CE3 TRP A 45 16.898 -11.371 -23.540 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.362 -13.152 -25.645 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.816 -12.381 -23.867 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.549 -13.270 -24.917 1.00 0.00 C ATOM 0 H TRP A 45 15.382 -7.904 -25.610 1.00 0.00 H new ATOM 0 HA TRP A 45 12.948 -7.729 -23.885 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.295 -9.032 -22.634 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.594 -9.433 -22.505 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.755 -10.201 -25.340 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.753 -12.226 -26.600 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.113 -10.692 -22.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.151 -13.835 -26.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.734 -12.474 -23.306 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.260 -14.045 -25.163 1.00 0.00 H new ATOM 595 N LYS A 46 14.403 -6.315 -22.165 1.00 0.00 N ATOM 596 CA LYS A 46 15.128 -5.203 -21.494 1.00 0.00 C ATOM 597 C LYS A 46 15.910 -5.783 -20.319 1.00 0.00 C ATOM 598 O LYS A 46 15.347 -6.338 -19.396 1.00 0.00 O ATOM 599 CB LYS A 46 14.133 -4.155 -20.992 1.00 0.00 C ATOM 600 CG LYS A 46 14.766 -2.766 -21.084 1.00 0.00 C ATOM 601 CD LYS A 46 13.844 -1.742 -20.418 1.00 0.00 C ATOM 602 CE LYS A 46 14.674 -0.557 -19.918 1.00 0.00 C ATOM 603 NZ LYS A 46 13.797 0.375 -19.155 1.00 0.00 N ATOM 0 H LYS A 46 13.616 -6.699 -21.642 1.00 0.00 H new ATOM 0 HA LYS A 46 15.808 -4.722 -22.197 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.220 -4.190 -21.587 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.851 -4.370 -19.961 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.741 -2.765 -20.596 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.932 -2.498 -22.128 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.091 -1.399 -21.128 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.311 -2.203 -19.586 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.487 -0.910 -19.284 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.130 -0.037 -20.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.360 1.181 -18.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.036 0.721 -19.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.382 -0.125 -18.343 1.00 0.00 H new ATOM 617 N ALA A 47 17.208 -5.680 -20.358 1.00 0.00 N ATOM 618 CA ALA A 47 18.030 -6.249 -19.255 1.00 0.00 C ATOM 619 C ALA A 47 18.700 -5.131 -18.456 1.00 0.00 C ATOM 620 O ALA A 47 18.476 -3.959 -18.688 1.00 0.00 O ATOM 621 CB ALA A 47 19.105 -7.162 -19.847 1.00 0.00 C ATOM 0 H ALA A 47 17.735 -5.227 -21.105 1.00 0.00 H new ATOM 0 HA ALA A 47 17.382 -6.818 -18.589 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.710 -7.581 -19.043 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.630 -7.970 -20.403 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.742 -6.586 -20.518 1.00 0.00 H new ATOM 627 N LYS A 48 19.532 -5.496 -17.517 1.00 0.00 N ATOM 628 CA LYS A 48 20.236 -4.474 -16.692 1.00 0.00 C ATOM 629 C LYS A 48 21.686 -4.914 -16.485 1.00 0.00 C ATOM 630 O LYS A 48 21.982 -6.091 -16.433 1.00 0.00 O ATOM 631 CB LYS A 48 19.538 -4.345 -15.336 1.00 0.00 C ATOM 632 CG LYS A 48 20.056 -3.100 -14.612 1.00 0.00 C ATOM 633 CD LYS A 48 19.426 -3.021 -13.220 1.00 0.00 C ATOM 634 CE LYS A 48 20.137 -3.997 -12.281 1.00 0.00 C ATOM 635 NZ LYS A 48 19.388 -4.085 -10.996 1.00 0.00 N ATOM 0 H LYS A 48 19.755 -6.464 -17.286 1.00 0.00 H new ATOM 0 HA LYS A 48 20.215 -3.509 -17.199 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.459 -4.275 -15.475 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.725 -5.234 -14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.142 -3.140 -14.530 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.812 -2.205 -15.185 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.503 -2.005 -12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.364 -3.262 -13.276 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.202 -4.982 -12.744 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.158 -3.663 -12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.871 -4.749 -10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.348 -3.145 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.422 -4.423 -11.180 1.00 0.00 H new ATOM 649 N SER A 49 22.597 -3.985 -16.380 1.00 0.00 N ATOM 650 CA SER A 49 24.025 -4.368 -16.193 1.00 0.00 C ATOM 651 C SER A 49 24.329 -4.510 -14.700 1.00 0.00 C ATOM 652 O SER A 49 24.106 -3.601 -13.925 1.00 0.00 O ATOM 653 CB SER A 49 24.925 -3.289 -16.796 1.00 0.00 C ATOM 654 OG SER A 49 26.187 -3.852 -17.122 1.00 0.00 O ATOM 0 H SER A 49 22.415 -2.982 -16.415 1.00 0.00 H new ATOM 0 HA SER A 49 24.212 -5.319 -16.691 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.460 -2.870 -17.689 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.052 -2.470 -16.089 1.00 0.00 H new ATOM 0 HG SER A 49 26.763 -3.161 -17.510 1.00 0.00 H new ATOM 660 N LEU A 50 24.835 -5.638 -14.286 1.00 0.00 N ATOM 661 CA LEU A 50 25.147 -5.819 -12.841 1.00 0.00 C ATOM 662 C LEU A 50 26.330 -4.923 -12.463 1.00 0.00 C ATOM 663 O LEU A 50 26.637 -4.737 -11.303 1.00 0.00 O ATOM 664 CB LEU A 50 25.505 -7.282 -12.572 1.00 0.00 C ATOM 665 CG LEU A 50 24.660 -8.186 -13.472 1.00 0.00 C ATOM 666 CD1 LEU A 50 25.535 -8.754 -14.592 1.00 0.00 C ATOM 667 CD2 LEU A 50 24.084 -9.337 -12.643 1.00 0.00 C ATOM 0 H LEU A 50 25.045 -6.439 -14.882 1.00 0.00 H new ATOM 0 HA LEU A 50 24.277 -5.547 -12.243 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.565 -7.449 -12.762 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.327 -7.525 -11.524 1.00 0.00 H new ATOM 0 HG LEU A 50 23.845 -7.606 -13.906 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.933 -9.398 -15.233 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.946 -7.936 -15.183 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.350 -9.333 -14.159 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.482 -9.981 -13.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.899 -9.916 -12.209 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.460 -8.934 -11.845 1.00 0.00 H new ATOM 679 N LEU A 51 26.997 -4.369 -13.441 1.00 0.00 N ATOM 680 CA LEU A 51 28.162 -3.485 -13.152 1.00 0.00 C ATOM 681 C LEU A 51 27.682 -2.050 -12.941 1.00 0.00 C ATOM 682 O LEU A 51 27.974 -1.426 -11.940 1.00 0.00 O ATOM 683 CB LEU A 51 29.134 -3.527 -14.333 1.00 0.00 C ATOM 684 CG LEU A 51 30.165 -2.407 -14.186 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.025 -2.665 -12.947 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.057 -2.370 -15.428 1.00 0.00 C ATOM 0 H LEU A 51 26.783 -4.492 -14.431 1.00 0.00 H new ATOM 0 HA LEU A 51 28.664 -3.833 -12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.635 -4.494 -14.371 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.589 -3.413 -15.270 1.00 0.00 H new ATOM 0 HG LEU A 51 29.652 -1.451 -14.079 1.00 0.00 H new ATOM 0 HD11 LEU A 51 31.760 -1.867 -12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.389 -2.692 -12.062 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.539 -3.620 -13.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.792 -1.572 -15.324 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.571 -3.325 -15.535 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.444 -2.186 -16.311 1.00 0.00 H new ATOM 698 N THR A 52 26.946 -1.524 -13.876 1.00 0.00 N ATOM 699 CA THR A 52 26.441 -0.129 -13.735 1.00 0.00 C ATOM 700 C THR A 52 24.934 -0.159 -13.484 1.00 0.00 C ATOM 701 O THR A 52 24.256 0.843 -13.595 1.00 0.00 O ATOM 702 CB THR A 52 26.733 0.656 -15.016 1.00 0.00 C ATOM 703 OG1 THR A 52 26.032 1.892 -14.983 1.00 0.00 O ATOM 704 CG2 THR A 52 26.280 -0.157 -16.229 1.00 0.00 C ATOM 0 H THR A 52 26.670 -2.000 -14.735 1.00 0.00 H new ATOM 0 HA THR A 52 26.940 0.355 -12.896 1.00 0.00 H new ATOM 0 HB THR A 52 27.804 0.847 -15.089 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.417 1.899 -14.220 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.488 0.403 -17.141 1.00 0.00 H new ATOM 0 HG22 THR A 52 26.819 -1.104 -16.254 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.210 -0.350 -16.158 1.00 0.00 H new ATOM 712 N LYS A 53 24.405 -1.302 -13.145 1.00 0.00 N ATOM 713 CA LYS A 53 22.943 -1.412 -12.880 1.00 0.00 C ATOM 714 C LYS A 53 22.157 -0.624 -13.929 1.00 0.00 C ATOM 715 O LYS A 53 21.041 -0.203 -13.695 1.00 0.00 O ATOM 716 CB LYS A 53 22.636 -0.873 -11.474 1.00 0.00 C ATOM 717 CG LYS A 53 22.164 0.582 -11.553 1.00 0.00 C ATOM 718 CD LYS A 53 22.524 1.306 -10.254 1.00 0.00 C ATOM 719 CE LYS A 53 21.775 2.639 -10.189 1.00 0.00 C ATOM 720 NZ LYS A 53 22.701 3.748 -10.553 1.00 0.00 N ATOM 0 H LYS A 53 24.927 -2.172 -13.039 1.00 0.00 H new ATOM 0 HA LYS A 53 22.645 -2.459 -12.937 1.00 0.00 H new ATOM 0 HB2 LYS A 53 21.868 -1.486 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 53 23.527 -0.940 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.631 1.082 -12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.087 0.618 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.262 0.687 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.599 1.478 -10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.924 2.624 -10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 21.378 2.797 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 22.192 4.654 -10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 23.499 3.767 -9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.059 3.599 -11.518 1.00 0.00 H new ATOM 734 N LYS A 54 22.718 -0.432 -15.090 1.00 0.00 N ATOM 735 CA LYS A 54 21.983 0.312 -16.147 1.00 0.00 C ATOM 736 C LYS A 54 21.008 -0.648 -16.823 1.00 0.00 C ATOM 737 O LYS A 54 21.309 -1.808 -17.017 1.00 0.00 O ATOM 738 CB LYS A 54 22.975 0.855 -17.178 1.00 0.00 C ATOM 739 CG LYS A 54 22.247 1.798 -18.137 1.00 0.00 C ATOM 740 CD LYS A 54 21.468 2.841 -17.334 1.00 0.00 C ATOM 741 CE LYS A 54 21.635 4.215 -17.983 1.00 0.00 C ATOM 742 NZ LYS A 54 20.316 4.687 -18.493 1.00 0.00 N ATOM 0 H LYS A 54 23.649 -0.757 -15.351 1.00 0.00 H new ATOM 0 HA LYS A 54 21.439 1.149 -15.709 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.785 1.384 -16.676 1.00 0.00 H new ATOM 0 HB3 LYS A 54 23.427 0.032 -17.732 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.964 2.290 -18.794 1.00 0.00 H new ATOM 0 HG3 LYS A 54 21.567 1.232 -18.774 1.00 0.00 H new ATOM 0 HD2 LYS A 54 20.413 2.571 -17.295 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.828 2.867 -16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.032 4.926 -17.258 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.354 4.158 -18.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.429 5.622 -18.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 19.955 4.013 -19.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.643 4.756 -17.703 1.00 0.00 H new ATOM 756 N GLU A 55 19.843 -0.186 -17.181 1.00 0.00 N ATOM 757 CA GLU A 55 18.864 -1.096 -17.837 1.00 0.00 C ATOM 758 C GLU A 55 18.492 -0.543 -19.213 1.00 0.00 C ATOM 759 O GLU A 55 18.340 0.648 -19.397 1.00 0.00 O ATOM 760 CB GLU A 55 17.607 -1.204 -16.971 1.00 0.00 C ATOM 761 CG GLU A 55 16.940 -2.561 -17.206 1.00 0.00 C ATOM 762 CD GLU A 55 15.634 -2.633 -16.413 1.00 0.00 C ATOM 763 OE1 GLU A 55 15.632 -2.197 -15.274 1.00 0.00 O ATOM 764 OE2 GLU A 55 14.659 -3.123 -16.958 1.00 0.00 O ATOM 0 H GLU A 55 19.528 0.775 -17.049 1.00 0.00 H new ATOM 0 HA GLU A 55 19.310 -2.084 -17.954 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.867 -1.092 -15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.914 -0.399 -17.215 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.741 -2.701 -18.268 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.609 -3.365 -16.899 1.00 0.00 H new ATOM 771 N GLY A 56 18.344 -1.405 -20.181 1.00 0.00 N ATOM 772 CA GLY A 56 17.981 -0.937 -21.545 1.00 0.00 C ATOM 773 C GLY A 56 17.597 -2.138 -22.405 1.00 0.00 C ATOM 774 O GLY A 56 17.826 -3.275 -22.042 1.00 0.00 O ATOM 0 H GLY A 56 18.459 -2.414 -20.085 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.150 -0.233 -21.491 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.820 -0.406 -21.995 1.00 0.00 H new ATOM 778 N PHE A 57 17.007 -1.894 -23.536 1.00 0.00 N ATOM 779 CA PHE A 57 16.596 -3.019 -24.418 1.00 0.00 C ATOM 780 C PHE A 57 17.835 -3.725 -24.974 1.00 0.00 C ATOM 781 O PHE A 57 18.768 -3.098 -25.437 1.00 0.00 O ATOM 782 CB PHE A 57 15.754 -2.480 -25.575 1.00 0.00 C ATOM 783 CG PHE A 57 14.289 -2.604 -25.231 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.747 -3.857 -24.920 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.473 -1.467 -25.221 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.389 -3.973 -24.600 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.115 -1.583 -24.901 1.00 0.00 C ATOM 788 CZ PHE A 57 11.573 -2.835 -24.591 1.00 0.00 C ATOM 0 H PHE A 57 16.790 -0.963 -23.891 1.00 0.00 H new ATOM 0 HA PHE A 57 16.008 -3.731 -23.839 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.006 -1.437 -25.768 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.973 -3.035 -26.487 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.377 -4.734 -24.927 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.891 -0.500 -25.460 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.971 -4.940 -24.360 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.485 -0.706 -24.893 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.525 -2.924 -24.345 1.00 0.00 H new ATOM 798 N ILE A 58 17.838 -5.028 -24.942 1.00 0.00 N ATOM 799 CA ILE A 58 18.999 -5.794 -25.478 1.00 0.00 C ATOM 800 C ILE A 58 18.487 -6.777 -26.530 1.00 0.00 C ATOM 801 O ILE A 58 17.423 -7.344 -26.382 1.00 0.00 O ATOM 802 CB ILE A 58 19.675 -6.569 -24.344 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.620 -7.343 -23.550 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.396 -5.589 -23.415 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.297 -8.481 -22.781 1.00 0.00 C ATOM 0 H ILE A 58 17.082 -5.599 -24.565 1.00 0.00 H new ATOM 0 HA ILE A 58 19.723 -5.110 -25.921 1.00 0.00 H new ATOM 0 HB ILE A 58 20.396 -7.269 -24.765 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.108 -6.675 -22.857 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.863 -7.744 -24.224 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.877 -6.140 -22.607 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.150 -5.040 -23.979 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.675 -4.888 -22.996 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.547 -9.034 -22.215 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.789 -9.153 -23.484 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.037 -8.067 -22.096 1.00 0.00 H new ATOM 817 N PRO A 59 19.246 -6.983 -27.614 1.00 0.00 N ATOM 818 CA PRO A 59 18.834 -7.900 -28.679 1.00 0.00 C ATOM 819 C PRO A 59 18.941 -9.357 -28.218 1.00 0.00 C ATOM 820 O PRO A 59 19.754 -9.680 -27.373 1.00 0.00 O ATOM 821 CB PRO A 59 19.832 -7.617 -29.801 1.00 0.00 C ATOM 822 CG PRO A 59 21.038 -7.074 -29.109 1.00 0.00 C ATOM 823 CD PRO A 59 20.546 -6.349 -27.886 1.00 0.00 C ATOM 0 HA PRO A 59 17.797 -7.756 -28.982 1.00 0.00 H new ATOM 0 HB2 PRO A 59 20.070 -8.524 -30.357 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.430 -6.900 -30.517 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.721 -7.878 -28.834 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.588 -6.399 -29.764 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.233 -6.464 -27.047 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.441 -5.279 -28.068 1.00 0.00 H new ATOM 831 N SER A 60 18.141 -10.242 -28.739 1.00 0.00 N ATOM 832 CA SER A 60 18.233 -11.659 -28.285 1.00 0.00 C ATOM 833 C SER A 60 19.275 -12.409 -29.119 1.00 0.00 C ATOM 834 O SER A 60 19.190 -13.608 -29.301 1.00 0.00 O ATOM 835 CB SER A 60 16.870 -12.337 -28.429 1.00 0.00 C ATOM 836 OG SER A 60 16.513 -12.393 -29.801 1.00 0.00 O ATOM 0 H SER A 60 17.435 -10.052 -29.450 1.00 0.00 H new ATOM 0 HA SER A 60 18.535 -11.678 -27.238 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.906 -13.343 -28.010 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.116 -11.785 -27.868 1.00 0.00 H new ATOM 0 HG SER A 60 15.831 -13.084 -29.934 1.00 0.00 H new ATOM 842 N ASN A 61 20.261 -11.718 -29.626 1.00 0.00 N ATOM 843 CA ASN A 61 21.303 -12.404 -30.442 1.00 0.00 C ATOM 844 C ASN A 61 22.688 -11.829 -30.117 1.00 0.00 C ATOM 845 O ASN A 61 23.692 -12.292 -30.621 1.00 0.00 O ATOM 846 CB ASN A 61 21.001 -12.194 -31.928 1.00 0.00 C ATOM 847 CG ASN A 61 19.692 -12.900 -32.286 1.00 0.00 C ATOM 848 OD1 ASN A 61 18.628 -12.327 -32.167 1.00 0.00 O ATOM 849 ND2 ASN A 61 19.726 -14.129 -32.723 1.00 0.00 N ATOM 0 H ASN A 61 20.389 -10.713 -29.511 1.00 0.00 H new ATOM 0 HA ASN A 61 21.296 -13.469 -30.210 1.00 0.00 H new ATOM 0 HB2 ASN A 61 20.924 -11.129 -32.148 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.817 -12.587 -32.535 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.859 -14.609 -32.965 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.620 -14.610 -32.823 1.00 0.00 H new ATOM 856 N TYR A 62 22.753 -10.820 -29.289 1.00 0.00 N ATOM 857 CA TYR A 62 24.079 -10.223 -28.955 1.00 0.00 C ATOM 858 C TYR A 62 24.587 -10.767 -27.618 1.00 0.00 C ATOM 859 O TYR A 62 25.772 -10.760 -27.354 1.00 0.00 O ATOM 860 CB TYR A 62 23.952 -8.702 -28.861 1.00 0.00 C ATOM 861 CG TYR A 62 23.706 -8.134 -30.238 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.553 -8.488 -30.948 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.634 -7.251 -30.805 1.00 0.00 C ATOM 864 CE1 TYR A 62 22.327 -7.960 -32.225 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.408 -6.722 -32.082 1.00 0.00 C ATOM 866 CZ TYR A 62 23.254 -7.077 -32.791 1.00 0.00 C ATOM 867 OH TYR A 62 23.030 -6.557 -34.050 1.00 0.00 O ATOM 0 H TYR A 62 21.951 -10.386 -28.832 1.00 0.00 H new ATOM 0 HA TYR A 62 24.786 -10.487 -29.741 1.00 0.00 H new ATOM 0 HB2 TYR A 62 23.133 -8.435 -28.194 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.861 -8.276 -28.437 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.837 -9.169 -30.511 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.524 -6.978 -30.257 1.00 0.00 H new ATOM 0 HE1 TYR A 62 21.438 -8.234 -32.773 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.123 -6.041 -32.519 1.00 0.00 H new ATOM 0 HH TYR A 62 23.769 -5.961 -34.294 1.00 0.00 H new ATOM 877 N VAL A 63 23.715 -11.236 -26.767 1.00 0.00 N ATOM 878 CA VAL A 63 24.196 -11.770 -25.459 1.00 0.00 C ATOM 879 C VAL A 63 24.015 -13.290 -25.423 1.00 0.00 C ATOM 880 O VAL A 63 23.202 -13.847 -26.134 1.00 0.00 O ATOM 881 CB VAL A 63 23.414 -11.127 -24.312 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.519 -9.604 -24.412 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.944 -11.544 -24.401 1.00 0.00 C ATOM 0 H VAL A 63 22.707 -11.273 -26.916 1.00 0.00 H new ATOM 0 HA VAL A 63 25.253 -11.532 -25.344 1.00 0.00 H new ATOM 0 HB VAL A 63 23.829 -11.457 -23.360 1.00 0.00 H new ATOM 0 HG11 VAL A 63 22.962 -9.146 -23.595 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.566 -9.307 -24.349 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.104 -9.272 -25.364 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.386 -11.086 -23.584 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.529 -11.214 -25.353 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.869 -12.629 -24.329 1.00 0.00 H new