USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 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 65 HIS : no HD1:sc= 0.16 K(o=0.052,f=-2.6!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= -0.107 USER MOD Set 2.1: A 31 CYS SG : rot -113:sc= 1.37 USER MOD Set 2.2: A 40 HIS : no HE2:sc= 1.3 K(o=5.3,f=-1.3!) USER MOD Set 2.3: A 56 CYS SG : rot 180:sc= 1.36 USER MOD Set 2.4: A 63 TYR OH : rot 37:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0887) USER MOD Single : A 4 GLN : amide:sc= 0.745 K(o=0.75,f=-5.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 11 SER OG : rot -51:sc= 0.029 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -120:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0385 (180deg=-0.277) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0339 X(o=-0.034,f=-0.0056) USER MOD Single : A 51 THR OG1 : rot 127:sc= 1.14 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.251 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00259) USER MOD Single : A 75 HIS : no HD1:sc= -0.645 K(o=-0.64,f=-5!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.17) USER MOD Single : A 78 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0.049) USER MOD Single : A 79 HIS : no HE2:sc= 0.618 K(o=0.62,f=-2.5!) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -49.327 2.882 -17.940 1.00 0.00 N ATOM 2 CA MET A 1 -48.263 2.556 -16.963 1.00 0.00 C ATOM 3 C MET A 1 -47.160 1.729 -17.616 1.00 0.00 C ATOM 4 O MET A 1 -45.984 1.890 -17.293 1.00 0.00 O ATOM 5 CB MET A 1 -48.843 1.797 -15.767 1.00 0.00 C ATOM 6 CG MET A 1 -47.798 1.395 -14.739 1.00 0.00 C ATOM 7 SD MET A 1 -48.486 0.422 -13.389 1.00 0.00 S ATOM 8 CE MET A 1 -47.010 0.107 -12.425 1.00 0.00 C ATOM 0 H1 MET A 1 -49.977 3.581 -17.526 1.00 0.00 H new ATOM 0 H2 MET A 1 -48.898 3.276 -18.802 1.00 0.00 H new ATOM 0 H3 MET A 1 -49.855 2.018 -18.180 1.00 0.00 H new ATOM 0 HA MET A 1 -47.834 3.494 -16.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 -49.597 2.418 -15.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 -49.351 0.902 -16.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 -47.013 0.821 -15.231 1.00 0.00 H new ATOM 0 HG3 MET A 1 -47.330 2.292 -14.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 -47.268 -0.488 -11.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 -46.287 -0.437 -13.033 1.00 0.00 H new ATOM 0 HE3 MET A 1 -46.575 1.054 -12.105 1.00 0.00 H new ATOM 20 N ARG A 2 -47.540 0.834 -18.527 1.00 0.00 N ATOM 21 CA ARG A 2 -46.562 0.042 -19.264 1.00 0.00 C ATOM 22 C ARG A 2 -45.671 0.949 -20.099 1.00 0.00 C ATOM 23 O ARG A 2 -46.108 1.536 -21.092 1.00 0.00 O ATOM 24 CB ARG A 2 -47.250 -1.000 -20.150 1.00 0.00 C ATOM 25 CG ARG A 2 -47.878 -2.143 -19.369 1.00 0.00 C ATOM 26 CD ARG A 2 -48.413 -3.224 -20.294 1.00 0.00 C ATOM 27 NE ARG A 2 -49.570 -2.774 -21.065 1.00 0.00 N ATOM 28 CZ ARG A 2 -49.578 -2.609 -22.387 1.00 0.00 C ATOM 29 NH1 ARG A 2 -48.475 -2.819 -23.097 1.00 0.00 N ATOM 30 NH2 ARG A 2 -50.693 -2.235 -22.999 1.00 0.00 N ATOM 0 H ARG A 2 -48.512 0.641 -18.770 1.00 0.00 H new ATOM 0 HA ARG A 2 -45.942 -0.490 -18.542 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -48.022 -0.508 -20.742 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -46.521 -1.407 -20.851 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -47.138 -2.574 -18.695 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -48.689 -1.759 -18.750 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -47.624 -3.537 -20.977 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -48.690 -4.098 -19.705 1.00 0.00 H new ATOM 0 HE ARG A 2 -50.431 -2.572 -20.556 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -47.615 -3.108 -22.630 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -48.488 -2.691 -24.109 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -51.542 -2.074 -22.458 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -50.701 -2.108 -24.011 1.00 0.00 H new ATOM 44 N ARG A 3 -44.426 1.073 -19.667 1.00 0.00 N ATOM 45 CA ARG A 3 -43.467 1.960 -20.305 1.00 0.00 C ATOM 46 C ARG A 3 -42.525 1.176 -21.208 1.00 0.00 C ATOM 47 O ARG A 3 -42.462 -0.054 -21.137 1.00 0.00 O ATOM 48 CB ARG A 3 -42.651 2.705 -19.245 1.00 0.00 C ATOM 49 CG ARG A 3 -41.850 1.778 -18.340 1.00 0.00 C ATOM 50 CD ARG A 3 -41.053 2.546 -17.302 1.00 0.00 C ATOM 51 NE ARG A 3 -40.282 1.645 -16.444 1.00 0.00 N ATOM 52 CZ ARG A 3 -39.577 2.041 -15.384 1.00 0.00 C ATOM 53 NH1 ARG A 3 -39.544 3.322 -15.041 1.00 0.00 N ATOM 54 NH2 ARG A 3 -38.923 1.146 -14.652 1.00 0.00 N ATOM 0 H ARG A 3 -44.053 0.563 -18.866 1.00 0.00 H new ATOM 0 HA ARG A 3 -44.020 2.678 -20.910 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -41.969 3.396 -19.741 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -43.325 3.306 -18.634 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -42.527 1.087 -17.838 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -41.172 1.177 -18.946 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -40.378 3.241 -17.801 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -41.730 3.143 -16.690 1.00 0.00 H new ATOM 0 HE ARG A 3 -40.284 0.651 -16.672 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -40.060 4.010 -15.589 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -39.003 3.619 -14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -38.961 0.158 -14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -38.383 1.447 -13.841 1.00 0.00 H new ATOM 68 N GLN A 4 -41.791 1.896 -22.045 1.00 0.00 N ATOM 69 CA GLN A 4 -40.801 1.286 -22.916 1.00 0.00 C ATOM 70 C GLN A 4 -39.450 1.245 -22.213 1.00 0.00 C ATOM 71 O GLN A 4 -38.916 2.285 -21.815 1.00 0.00 O ATOM 72 CB GLN A 4 -40.663 2.063 -24.233 1.00 0.00 C ATOM 73 CG GLN A 4 -41.985 2.411 -24.907 1.00 0.00 C ATOM 74 CD GLN A 4 -42.532 3.763 -24.477 1.00 0.00 C ATOM 75 OE1 GLN A 4 -42.309 4.217 -23.351 1.00 0.00 O ATOM 76 NE2 GLN A 4 -43.251 4.419 -25.373 1.00 0.00 N ATOM 0 H GLN A 4 -41.865 2.909 -22.138 1.00 0.00 H new ATOM 0 HA GLN A 4 -41.134 0.273 -23.145 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -40.115 2.985 -24.040 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -40.061 1.474 -24.925 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -41.847 2.408 -25.988 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -42.719 1.638 -24.677 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -43.414 4.011 -26.294 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -43.642 5.332 -25.143 1.00 0.00 H new ATOM 85 N PRO A 5 -38.889 0.048 -22.024 1.00 0.00 N ATOM 86 CA PRO A 5 -37.558 -0.103 -21.437 1.00 0.00 C ATOM 87 C PRO A 5 -36.471 0.387 -22.390 1.00 0.00 C ATOM 88 O PRO A 5 -36.530 0.127 -23.594 1.00 0.00 O ATOM 89 CB PRO A 5 -37.436 -1.609 -21.204 1.00 0.00 C ATOM 90 CG PRO A 5 -38.378 -2.230 -22.179 1.00 0.00 C ATOM 91 CD PRO A 5 -39.505 -1.250 -22.355 1.00 0.00 C ATOM 0 HA PRO A 5 -37.435 0.482 -20.526 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -36.415 -1.952 -21.369 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -37.699 -1.872 -20.179 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -37.881 -2.427 -23.129 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -38.748 -3.186 -21.808 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -39.892 -1.262 -23.374 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -40.341 -1.477 -21.694 1.00 0.00 H new ATOM 99 N LYS A 6 -35.493 1.106 -21.859 1.00 0.00 N ATOM 100 CA LYS A 6 -34.414 1.636 -22.679 1.00 0.00 C ATOM 101 C LYS A 6 -33.576 0.496 -23.255 1.00 0.00 C ATOM 102 O LYS A 6 -32.981 -0.292 -22.514 1.00 0.00 O ATOM 103 CB LYS A 6 -33.533 2.586 -21.862 1.00 0.00 C ATOM 104 CG LYS A 6 -32.460 3.278 -22.686 1.00 0.00 C ATOM 105 CD LYS A 6 -31.656 4.263 -21.854 1.00 0.00 C ATOM 106 CE LYS A 6 -30.644 5.005 -22.710 1.00 0.00 C ATOM 107 NZ LYS A 6 -29.875 6.009 -21.928 1.00 0.00 N ATOM 0 H LYS A 6 -35.424 1.335 -20.867 1.00 0.00 H new ATOM 0 HA LYS A 6 -34.852 2.198 -23.504 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -34.164 3.342 -21.394 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -33.057 2.025 -21.057 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -31.790 2.531 -23.112 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -32.925 3.802 -23.521 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -32.329 4.977 -21.380 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -31.140 3.732 -21.054 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -29.954 4.289 -23.157 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -31.161 5.504 -23.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -29.197 6.490 -22.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -30.529 6.708 -21.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -29.360 5.531 -21.161 1.00 0.00 H new ATOM 121 N THR A 7 -33.545 0.406 -24.575 1.00 0.00 N ATOM 122 CA THR A 7 -32.831 -0.659 -25.250 1.00 0.00 C ATOM 123 C THR A 7 -31.324 -0.441 -25.189 1.00 0.00 C ATOM 124 O THR A 7 -30.843 0.691 -25.291 1.00 0.00 O ATOM 125 CB THR A 7 -33.281 -0.769 -26.716 1.00 0.00 C ATOM 126 OG1 THR A 7 -33.357 0.537 -27.311 1.00 0.00 O ATOM 127 CG2 THR A 7 -34.634 -1.449 -26.810 1.00 0.00 C ATOM 0 H THR A 7 -34.010 1.063 -25.201 1.00 0.00 H new ATOM 0 HA THR A 7 -33.066 -1.590 -24.733 1.00 0.00 H new ATOM 0 HB THR A 7 -32.547 -1.368 -27.254 1.00 0.00 H new ATOM 0 HG1 THR A 7 -33.643 0.455 -28.245 1.00 0.00 H new ATOM 0 HG21 THR A 7 -34.935 -1.517 -27.855 1.00 0.00 H new ATOM 0 HG22 THR A 7 -34.568 -2.451 -26.385 1.00 0.00 H new ATOM 0 HG23 THR A 7 -35.372 -0.868 -26.257 1.00 0.00 H new ATOM 135 N ARG A 8 -30.583 -1.529 -25.022 1.00 0.00 N ATOM 136 CA ARG A 8 -29.130 -1.467 -24.922 1.00 0.00 C ATOM 137 C ARG A 8 -28.495 -2.053 -26.177 1.00 0.00 C ATOM 138 O ARG A 8 -28.551 -3.264 -26.406 1.00 0.00 O ATOM 139 CB ARG A 8 -28.646 -2.244 -23.692 1.00 0.00 C ATOM 140 CG ARG A 8 -29.337 -1.843 -22.402 1.00 0.00 C ATOM 141 CD ARG A 8 -28.861 -2.685 -21.227 1.00 0.00 C ATOM 142 NE ARG A 8 -29.660 -2.445 -20.026 1.00 0.00 N ATOM 143 CZ ARG A 8 -29.399 -2.970 -18.830 1.00 0.00 C ATOM 144 NH1 ARG A 8 -28.342 -3.759 -18.654 1.00 0.00 N ATOM 145 NH2 ARG A 8 -30.199 -2.703 -17.805 1.00 0.00 N ATOM 0 H ARG A 8 -30.967 -2.471 -24.953 1.00 0.00 H new ATOM 0 HA ARG A 8 -28.834 -0.423 -24.821 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -28.804 -3.309 -23.862 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -27.572 -2.095 -23.579 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -29.144 -0.790 -22.197 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -30.415 -1.953 -22.516 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -28.912 -3.741 -21.492 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.815 -2.459 -21.019 1.00 0.00 H new ATOM 0 HE ARG A 8 -30.472 -1.834 -20.110 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.724 -3.966 -19.439 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.150 -4.157 -17.735 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -31.010 -2.098 -17.935 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -30.003 -3.103 -16.887 1.00 0.00 H new ATOM 159 N GLN A 9 -27.904 -1.200 -26.998 1.00 0.00 N ATOM 160 CA GLN A 9 -27.261 -1.657 -28.220 1.00 0.00 C ATOM 161 C GLN A 9 -25.799 -1.985 -27.948 1.00 0.00 C ATOM 162 O GLN A 9 -24.894 -1.241 -28.329 1.00 0.00 O ATOM 163 CB GLN A 9 -27.392 -0.614 -29.333 1.00 0.00 C ATOM 164 CG GLN A 9 -28.833 -0.345 -29.729 1.00 0.00 C ATOM 165 CD GLN A 9 -28.956 0.610 -30.901 1.00 0.00 C ATOM 166 OE1 GLN A 9 -28.082 0.671 -31.770 1.00 0.00 O ATOM 167 NE2 GLN A 9 -30.049 1.358 -30.941 1.00 0.00 N ATOM 0 H GLN A 9 -27.856 -0.193 -26.842 1.00 0.00 H new ATOM 0 HA GLN A 9 -27.763 -2.563 -28.559 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -26.931 0.318 -29.006 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -26.838 -0.953 -30.208 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -29.316 -1.288 -29.983 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -29.368 0.067 -28.874 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -30.749 1.278 -30.203 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -30.191 2.013 -31.710 1.00 0.00 H new ATOM 176 N GLU A 10 -25.586 -3.098 -27.262 1.00 0.00 N ATOM 177 CA GLU A 10 -24.253 -3.515 -26.863 1.00 0.00 C ATOM 178 C GLU A 10 -24.043 -4.997 -27.139 1.00 0.00 C ATOM 179 O GLU A 10 -24.798 -5.845 -26.658 1.00 0.00 O ATOM 180 CB GLU A 10 -24.038 -3.220 -25.378 1.00 0.00 C ATOM 181 CG GLU A 10 -25.169 -3.723 -24.495 1.00 0.00 C ATOM 182 CD GLU A 10 -24.934 -3.446 -23.030 1.00 0.00 C ATOM 183 OE1 GLU A 10 -25.167 -2.300 -22.595 1.00 0.00 O ATOM 184 OE2 GLU A 10 -24.531 -4.377 -22.305 1.00 0.00 O ATOM 0 H GLU A 10 -26.328 -3.733 -26.968 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.526 -2.953 -27.449 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -23.103 -3.678 -25.055 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.930 -2.144 -25.240 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.102 -3.252 -24.804 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.289 -4.796 -24.643 1.00 0.00 H new ATOM 191 N SER A 11 -23.038 -5.305 -27.938 1.00 0.00 N ATOM 192 CA SER A 11 -22.681 -6.686 -28.208 1.00 0.00 C ATOM 193 C SER A 11 -21.170 -6.866 -28.073 1.00 0.00 C ATOM 194 O SER A 11 -20.586 -7.805 -28.613 1.00 0.00 O ATOM 195 CB SER A 11 -23.162 -7.097 -29.608 1.00 0.00 C ATOM 196 OG SER A 11 -23.266 -8.510 -29.728 1.00 0.00 O ATOM 0 H SER A 11 -22.454 -4.616 -28.412 1.00 0.00 H new ATOM 0 HA SER A 11 -23.172 -7.332 -27.481 1.00 0.00 H new ATOM 0 HB2 SER A 11 -24.131 -6.641 -29.809 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.469 -6.717 -30.358 1.00 0.00 H new ATOM 0 HG SER A 11 -22.429 -8.926 -29.434 1.00 0.00 H new ATOM 202 N ALA A 12 -20.541 -5.956 -27.334 1.00 0.00 N ATOM 203 CA ALA A 12 -19.103 -6.015 -27.104 1.00 0.00 C ATOM 204 C ALA A 12 -18.791 -6.950 -25.946 1.00 0.00 C ATOM 205 O ALA A 12 -19.059 -6.636 -24.783 1.00 0.00 O ATOM 206 CB ALA A 12 -18.549 -4.628 -26.831 1.00 0.00 C ATOM 0 H ALA A 12 -21.007 -5.168 -26.884 1.00 0.00 H new ATOM 0 HA ALA A 12 -18.625 -6.404 -28.003 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.474 -4.692 -26.662 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -18.743 -3.983 -27.688 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.031 -4.211 -25.947 1.00 0.00 H new ATOM 212 N ARG A 13 -18.236 -8.104 -26.270 1.00 0.00 N ATOM 213 CA ARG A 13 -17.942 -9.121 -25.275 1.00 0.00 C ATOM 214 C ARG A 13 -16.526 -8.948 -24.728 1.00 0.00 C ATOM 215 O ARG A 13 -15.614 -8.572 -25.467 1.00 0.00 O ATOM 216 CB ARG A 13 -18.096 -10.510 -25.893 1.00 0.00 C ATOM 217 CG ARG A 13 -18.115 -11.644 -24.877 1.00 0.00 C ATOM 218 CD ARG A 13 -18.229 -12.993 -25.564 1.00 0.00 C ATOM 219 NE ARG A 13 -19.376 -13.046 -26.470 1.00 0.00 N ATOM 220 CZ ARG A 13 -19.316 -13.502 -27.720 1.00 0.00 C ATOM 221 NH1 ARG A 13 -18.157 -13.903 -28.228 1.00 0.00 N ATOM 222 NH2 ARG A 13 -20.414 -13.535 -28.464 1.00 0.00 N ATOM 0 H ARG A 13 -17.978 -8.362 -27.222 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.646 -9.013 -24.450 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -19.020 -10.539 -26.471 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.277 -10.677 -26.593 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -17.205 -11.614 -24.277 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.953 -11.509 -24.193 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -17.315 -13.195 -26.123 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -18.323 -13.777 -24.812 1.00 0.00 H new ATOM 0 HE ARG A 13 -20.276 -12.714 -26.124 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -17.310 -13.862 -27.661 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.113 -14.252 -29.185 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.301 -13.212 -28.078 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -20.371 -13.884 -29.422 1.00 0.00 H new ATOM 236 N MET A 14 -16.362 -9.224 -23.433 1.00 0.00 N ATOM 237 CA MET A 14 -15.067 -9.123 -22.761 1.00 0.00 C ATOM 238 C MET A 14 -14.503 -7.714 -22.880 1.00 0.00 C ATOM 239 O MET A 14 -13.515 -7.481 -23.580 1.00 0.00 O ATOM 240 CB MET A 14 -14.067 -10.146 -23.316 1.00 0.00 C ATOM 241 CG MET A 14 -14.457 -11.588 -23.045 1.00 0.00 C ATOM 242 SD MET A 14 -14.622 -11.951 -21.283 1.00 0.00 S ATOM 243 CE MET A 14 -15.058 -13.689 -21.343 1.00 0.00 C ATOM 0 H MET A 14 -17.122 -9.523 -22.822 1.00 0.00 H new ATOM 0 HA MET A 14 -15.227 -9.346 -21.706 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.971 -10.001 -24.392 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.086 -9.956 -22.880 1.00 0.00 H new ATOM 0 HG2 MET A 14 -15.401 -11.804 -23.545 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.707 -12.250 -23.479 1.00 0.00 H new ATOM 0 HE1 MET A 14 -15.195 -14.065 -20.329 1.00 0.00 H new ATOM 0 HE2 MET A 14 -15.984 -13.813 -21.904 1.00 0.00 H new ATOM 0 HE3 MET A 14 -14.260 -14.248 -21.832 1.00 0.00 H new ATOM 253 N SER A 15 -15.153 -6.775 -22.214 1.00 0.00 N ATOM 254 CA SER A 15 -14.723 -5.390 -22.240 1.00 0.00 C ATOM 255 C SER A 15 -14.317 -4.943 -20.839 1.00 0.00 C ATOM 256 O SER A 15 -15.167 -4.645 -19.995 1.00 0.00 O ATOM 257 CB SER A 15 -15.849 -4.502 -22.786 1.00 0.00 C ATOM 258 OG SER A 15 -15.367 -3.220 -23.155 1.00 0.00 O ATOM 0 H SER A 15 -15.983 -6.949 -21.647 1.00 0.00 H new ATOM 0 HA SER A 15 -13.858 -5.296 -22.897 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.306 -4.983 -23.651 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.628 -4.396 -22.031 1.00 0.00 H new ATOM 0 HG SER A 15 -16.108 -2.679 -23.500 1.00 0.00 H new ATOM 264 N ILE A 16 -13.013 -4.913 -20.594 1.00 0.00 N ATOM 265 CA ILE A 16 -12.491 -4.534 -19.290 1.00 0.00 C ATOM 266 C ILE A 16 -12.054 -3.071 -19.344 1.00 0.00 C ATOM 267 O ILE A 16 -11.992 -2.476 -20.424 1.00 0.00 O ATOM 268 CB ILE A 16 -11.294 -5.434 -18.848 1.00 0.00 C ATOM 269 CG1 ILE A 16 -11.561 -6.915 -19.160 1.00 0.00 C ATOM 270 CG2 ILE A 16 -11.001 -5.282 -17.357 1.00 0.00 C ATOM 271 CD1 ILE A 16 -11.204 -7.330 -20.571 1.00 0.00 C ATOM 0 H ILE A 16 -12.298 -5.147 -21.283 1.00 0.00 H new ATOM 0 HA ILE A 16 -13.281 -4.671 -18.552 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.426 -5.100 -19.417 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.995 -7.529 -18.459 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.617 -7.126 -18.988 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.162 -5.922 -17.084 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.751 -4.244 -17.139 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.881 -5.571 -16.782 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.424 -8.389 -20.705 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.788 -6.745 -21.281 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.142 -7.155 -20.744 1.00 0.00 H new ATOM 283 N GLU A 17 -11.766 -2.490 -18.192 1.00 0.00 N ATOM 284 CA GLU A 17 -11.426 -1.082 -18.128 1.00 0.00 C ATOM 285 C GLU A 17 -10.677 -0.757 -16.839 1.00 0.00 C ATOM 286 O GLU A 17 -11.289 -0.354 -15.844 1.00 0.00 O ATOM 287 CB GLU A 17 -12.699 -0.243 -18.236 1.00 0.00 C ATOM 288 CG GLU A 17 -12.453 1.227 -18.510 1.00 0.00 C ATOM 289 CD GLU A 17 -13.736 1.965 -18.797 1.00 0.00 C ATOM 290 OE1 GLU A 17 -14.313 1.758 -19.887 1.00 0.00 O ATOM 291 OE2 GLU A 17 -14.185 2.742 -17.930 1.00 0.00 O ATOM 0 H GLU A 17 -11.761 -2.971 -17.292 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.767 -0.843 -18.963 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.322 -0.650 -19.032 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.264 -0.339 -17.308 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.958 1.679 -17.651 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.776 1.330 -19.358 1.00 0.00 H new ATOM 298 N ALA A 18 -9.357 -0.961 -16.876 1.00 0.00 N ATOM 299 CA ALA A 18 -8.462 -0.646 -15.758 1.00 0.00 C ATOM 300 C ALA A 18 -8.645 -1.590 -14.568 1.00 0.00 C ATOM 301 O ALA A 18 -9.763 -1.949 -14.197 1.00 0.00 O ATOM 302 CB ALA A 18 -8.630 0.805 -15.321 1.00 0.00 C ATOM 0 H ALA A 18 -8.876 -1.351 -17.687 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.445 -0.791 -16.123 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.956 1.015 -14.491 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.395 1.466 -16.155 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.659 0.973 -15.004 1.00 0.00 H new ATOM 308 N PRO A 19 -7.527 -2.029 -13.965 1.00 0.00 N ATOM 309 CA PRO A 19 -7.554 -2.832 -12.745 1.00 0.00 C ATOM 310 C PRO A 19 -8.012 -2.011 -11.542 1.00 0.00 C ATOM 311 O PRO A 19 -8.142 -0.786 -11.634 1.00 0.00 O ATOM 312 CB PRO A 19 -6.098 -3.285 -12.565 1.00 0.00 C ATOM 313 CG PRO A 19 -5.416 -2.968 -13.855 1.00 0.00 C ATOM 314 CD PRO A 19 -6.154 -1.797 -14.434 1.00 0.00 C ATOM 0 HA PRO A 19 -8.254 -3.664 -12.819 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.625 -2.763 -11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.044 -4.351 -12.345 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.366 -2.726 -13.692 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.445 -3.822 -14.532 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.756 -0.848 -14.075 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.094 -1.776 -15.522 1.00 0.00 H new ATOM 322 N GLU A 20 -8.233 -2.685 -10.415 1.00 0.00 N ATOM 323 CA GLU A 20 -8.775 -2.038 -9.219 1.00 0.00 C ATOM 324 C GLU A 20 -7.923 -0.854 -8.767 1.00 0.00 C ATOM 325 O GLU A 20 -6.767 -1.013 -8.364 1.00 0.00 O ATOM 326 CB GLU A 20 -8.912 -3.036 -8.064 1.00 0.00 C ATOM 327 CG GLU A 20 -9.868 -4.179 -8.358 1.00 0.00 C ATOM 328 CD GLU A 20 -10.220 -4.980 -7.120 1.00 0.00 C ATOM 329 OE1 GLU A 20 -9.425 -5.850 -6.712 1.00 0.00 O ATOM 330 OE2 GLU A 20 -11.301 -4.742 -6.543 1.00 0.00 O ATOM 0 H GLU A 20 -8.045 -3.681 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.762 -1.664 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.929 -3.446 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.255 -2.506 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.781 -3.779 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.420 -4.841 -9.099 1.00 0.00 H new ATOM 337 N THR A 21 -8.504 0.329 -8.854 1.00 0.00 N ATOM 338 CA THR A 21 -7.871 1.532 -8.359 1.00 0.00 C ATOM 339 C THR A 21 -8.455 1.906 -7.002 1.00 0.00 C ATOM 340 O THR A 21 -9.673 2.029 -6.844 1.00 0.00 O ATOM 341 CB THR A 21 -8.023 2.701 -9.356 1.00 0.00 C ATOM 342 OG1 THR A 21 -7.554 3.921 -8.772 1.00 0.00 O ATOM 343 CG2 THR A 21 -9.468 2.861 -9.810 1.00 0.00 C ATOM 0 H THR A 21 -9.424 0.480 -9.268 1.00 0.00 H new ATOM 0 HA THR A 21 -6.805 1.334 -8.246 1.00 0.00 H new ATOM 0 HB THR A 21 -7.417 2.469 -10.232 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.285 4.573 -8.745 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.539 3.693 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.799 1.945 -10.299 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.101 3.060 -8.945 1.00 0.00 H new ATOM 351 N VAL A 22 -7.582 2.063 -6.022 1.00 0.00 N ATOM 352 CA VAL A 22 -8.003 2.329 -4.656 1.00 0.00 C ATOM 353 C VAL A 22 -7.735 3.780 -4.277 1.00 0.00 C ATOM 354 O VAL A 22 -6.615 4.273 -4.415 1.00 0.00 O ATOM 355 CB VAL A 22 -7.277 1.396 -3.655 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.796 1.598 -2.241 1.00 0.00 C ATOM 357 CG2 VAL A 22 -7.415 -0.059 -4.077 1.00 0.00 C ATOM 0 H VAL A 22 -6.571 2.011 -6.148 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.075 2.137 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.218 1.656 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.268 0.930 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.630 2.631 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.863 1.378 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.898 -0.696 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.470 -0.330 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.976 -0.194 -5.065 1.00 0.00 H new ATOM 367 N VAL A 23 -8.772 4.456 -3.814 1.00 0.00 N ATOM 368 CA VAL A 23 -8.645 5.820 -3.326 1.00 0.00 C ATOM 369 C VAL A 23 -8.308 5.798 -1.841 1.00 0.00 C ATOM 370 O VAL A 23 -9.045 5.228 -1.037 1.00 0.00 O ATOM 371 CB VAL A 23 -9.943 6.624 -3.544 1.00 0.00 C ATOM 372 CG1 VAL A 23 -9.759 8.064 -3.096 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.377 6.562 -5.003 1.00 0.00 C ATOM 0 H VAL A 23 -9.719 4.080 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.847 6.306 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.730 6.176 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.685 8.616 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.503 8.086 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.957 8.525 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.294 7.136 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.593 6.981 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.554 5.524 -5.286 1.00 0.00 H new ATOM 383 N VAL A 24 -7.191 6.408 -1.484 1.00 0.00 N ATOM 384 CA VAL A 24 -6.714 6.369 -0.111 1.00 0.00 C ATOM 385 C VAL A 24 -6.418 7.764 0.420 1.00 0.00 C ATOM 386 O VAL A 24 -6.033 8.667 -0.324 1.00 0.00 O ATOM 387 CB VAL A 24 -5.448 5.492 0.032 1.00 0.00 C ATOM 388 CG1 VAL A 24 -5.786 4.017 -0.136 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.391 5.912 -0.976 1.00 0.00 C ATOM 0 H VAL A 24 -6.598 6.936 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.517 5.927 0.479 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.048 5.637 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.879 3.422 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.506 3.719 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.216 3.852 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.508 5.284 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.786 5.800 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.120 6.954 -0.806 1.00 0.00 H new ATOM 399 N SER A 25 -6.621 7.927 1.715 1.00 0.00 N ATOM 400 CA SER A 25 -6.320 9.167 2.402 1.00 0.00 C ATOM 401 C SER A 25 -4.896 9.133 2.947 1.00 0.00 C ATOM 402 O SER A 25 -4.373 10.134 3.438 1.00 0.00 O ATOM 403 CB SER A 25 -7.322 9.354 3.539 1.00 0.00 C ATOM 404 OG SER A 25 -7.567 8.118 4.199 1.00 0.00 O ATOM 0 H SER A 25 -7.001 7.199 2.321 1.00 0.00 H new ATOM 0 HA SER A 25 -6.397 10.003 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.939 10.084 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.257 9.754 3.145 1.00 0.00 H new ATOM 0 HG SER A 25 -8.210 8.257 4.926 1.00 0.00 H new ATOM 410 N THR A 26 -4.273 7.967 2.850 1.00 0.00 N ATOM 411 CA THR A 26 -2.933 7.766 3.370 1.00 0.00 C ATOM 412 C THR A 26 -1.906 7.894 2.251 1.00 0.00 C ATOM 413 O THR A 26 -2.124 7.392 1.149 1.00 0.00 O ATOM 414 CB THR A 26 -2.817 6.372 4.014 1.00 0.00 C ATOM 415 OG1 THR A 26 -4.056 6.040 4.651 1.00 0.00 O ATOM 416 CG2 THR A 26 -1.697 6.336 5.041 1.00 0.00 C ATOM 0 H THR A 26 -4.681 7.141 2.412 1.00 0.00 H new ATOM 0 HA THR A 26 -2.738 8.529 4.124 1.00 0.00 H new ATOM 0 HB THR A 26 -2.590 5.648 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.986 5.152 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.638 5.340 5.480 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.751 6.576 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.898 7.066 5.825 1.00 0.00 H new ATOM 424 N TRP A 27 -0.796 8.566 2.530 1.00 0.00 N ATOM 425 CA TRP A 27 0.252 8.745 1.540 1.00 0.00 C ATOM 426 C TRP A 27 1.133 7.504 1.468 1.00 0.00 C ATOM 427 O TRP A 27 1.552 7.089 0.390 1.00 0.00 O ATOM 428 CB TRP A 27 1.096 9.973 1.878 1.00 0.00 C ATOM 429 CG TRP A 27 0.344 11.266 1.772 1.00 0.00 C ATOM 430 CD1 TRP A 27 -0.294 11.926 2.779 1.00 0.00 C ATOM 431 CD2 TRP A 27 0.147 12.052 0.590 1.00 0.00 C ATOM 432 NE1 TRP A 27 -0.869 13.077 2.301 1.00 0.00 N ATOM 433 CE2 TRP A 27 -0.613 13.176 0.958 1.00 0.00 C ATOM 434 CE3 TRP A 27 0.545 11.917 -0.743 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -0.984 14.158 0.041 1.00 0.00 C ATOM 436 CZ3 TRP A 27 0.175 12.888 -1.652 1.00 0.00 C ATOM 437 CH2 TRP A 27 -0.582 13.998 -1.256 1.00 0.00 C ATOM 0 H TRP A 27 -0.601 8.995 3.435 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.214 8.898 0.566 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.483 9.870 2.892 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.957 10.007 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.341 11.592 3.805 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.400 13.749 2.855 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.132 11.067 -1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.568 15.014 0.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.474 12.790 -2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.854 14.742 -1.990 1.00 0.00 H new ATOM 448 N LYS A 28 1.414 6.921 2.622 1.00 0.00 N ATOM 449 CA LYS A 28 2.175 5.683 2.681 1.00 0.00 C ATOM 450 C LYS A 28 1.224 4.500 2.768 1.00 0.00 C ATOM 451 O LYS A 28 0.507 4.343 3.757 1.00 0.00 O ATOM 452 CB LYS A 28 3.126 5.683 3.877 1.00 0.00 C ATOM 453 CG LYS A 28 4.237 6.708 3.770 1.00 0.00 C ATOM 454 CD LYS A 28 5.151 6.662 4.979 1.00 0.00 C ATOM 455 CE LYS A 28 6.269 7.687 4.870 1.00 0.00 C ATOM 456 NZ LYS A 28 5.744 9.071 4.738 1.00 0.00 N ATOM 0 H LYS A 28 1.127 7.285 3.531 1.00 0.00 H new ATOM 0 HA LYS A 28 2.773 5.600 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.554 5.873 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.567 4.691 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.818 6.524 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.806 7.705 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.571 6.849 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.579 5.664 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.906 7.624 5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.893 7.452 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.513 9.751 4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.362 9.207 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.990 9.224 5.437 1.00 0.00 H new ATOM 470 N VAL A 29 1.219 3.677 1.737 1.00 0.00 N ATOM 471 CA VAL A 29 0.283 2.580 1.650 1.00 0.00 C ATOM 472 C VAL A 29 1.005 1.240 1.653 1.00 0.00 C ATOM 473 O VAL A 29 1.975 1.032 0.918 1.00 0.00 O ATOM 474 CB VAL A 29 -0.600 2.699 0.389 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.602 3.834 0.544 1.00 0.00 C ATOM 476 CG2 VAL A 29 0.247 2.912 -0.859 1.00 0.00 C ATOM 0 H VAL A 29 1.858 3.751 0.945 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.359 2.631 2.530 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.144 1.762 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.216 3.903 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.241 3.640 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.068 4.773 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.403 2.992 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.827 3.829 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.924 2.068 -0.988 1.00 0.00 H new ATOM 486 N ALA A 30 0.538 0.341 2.501 1.00 0.00 N ATOM 487 CA ALA A 30 1.079 -1.003 2.556 1.00 0.00 C ATOM 488 C ALA A 30 0.327 -1.895 1.582 1.00 0.00 C ATOM 489 O ALA A 30 -0.820 -2.273 1.827 1.00 0.00 O ATOM 490 CB ALA A 30 1.001 -1.559 3.970 1.00 0.00 C ATOM 0 H ALA A 30 -0.217 0.519 3.163 1.00 0.00 H new ATOM 0 HA ALA A 30 2.130 -0.974 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.412 -2.568 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.574 -0.922 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.040 -1.586 4.294 1.00 0.00 H new ATOM 496 N CYS A 31 0.959 -2.201 0.463 1.00 0.00 N ATOM 497 CA CYS A 31 0.330 -3.020 -0.553 1.00 0.00 C ATOM 498 C CYS A 31 0.473 -4.485 -0.188 1.00 0.00 C ATOM 499 O CYS A 31 1.528 -4.919 0.278 1.00 0.00 O ATOM 500 CB CYS A 31 0.942 -2.750 -1.924 1.00 0.00 C ATOM 501 SG CYS A 31 0.007 -3.454 -3.300 1.00 0.00 S ATOM 0 H CYS A 31 1.905 -1.895 0.237 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.729 -2.765 -0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.024 -1.673 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.955 -3.152 -1.944 1.00 0.00 H new ATOM 0 HG CYS A 31 0.703 -4.399 -3.859 1.00 0.00 H new ATOM 507 N ASP A 32 -0.590 -5.235 -0.413 1.00 0.00 N ATOM 508 CA ASP A 32 -0.646 -6.632 0.008 1.00 0.00 C ATOM 509 C ASP A 32 -1.045 -7.528 -1.164 1.00 0.00 C ATOM 510 O ASP A 32 -1.394 -8.694 -0.990 1.00 0.00 O ATOM 511 CB ASP A 32 -1.645 -6.779 1.164 1.00 0.00 C ATOM 512 CG ASP A 32 -1.354 -7.972 2.055 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.229 -8.058 2.589 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.261 -8.812 2.259 1.00 0.00 O ATOM 0 H ASP A 32 -1.431 -4.904 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 32 0.341 -6.943 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.630 -5.871 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.651 -6.875 0.756 1.00 0.00 H new ATOM 519 N GLY A 33 -0.988 -6.963 -2.367 1.00 0.00 N ATOM 520 CA GLY A 33 -1.282 -7.725 -3.567 1.00 0.00 C ATOM 521 C GLY A 33 -2.765 -7.897 -3.816 1.00 0.00 C ATOM 522 O GLY A 33 -3.397 -7.073 -4.484 1.00 0.00 O ATOM 0 H GLY A 33 -0.742 -5.987 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.831 -7.227 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.817 -8.708 -3.489 1.00 0.00 H new ATOM 526 N GLY A 34 -3.312 -8.973 -3.282 1.00 0.00 N ATOM 527 CA GLY A 34 -4.703 -9.294 -3.504 1.00 0.00 C ATOM 528 C GLY A 34 -5.459 -9.485 -2.208 1.00 0.00 C ATOM 529 O GLY A 34 -5.088 -8.929 -1.172 1.00 0.00 O ATOM 0 H GLY A 34 -2.811 -9.638 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.171 -8.496 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.774 -10.203 -4.101 1.00 0.00 H new ATOM 533 N GLU A 35 -6.521 -10.274 -2.261 1.00 0.00 N ATOM 534 CA GLU A 35 -7.313 -10.570 -1.076 1.00 0.00 C ATOM 535 C GLU A 35 -7.181 -12.038 -0.700 1.00 0.00 C ATOM 536 O GLU A 35 -6.581 -12.825 -1.436 1.00 0.00 O ATOM 537 CB GLU A 35 -8.784 -10.215 -1.297 1.00 0.00 C ATOM 538 CG GLU A 35 -9.040 -8.721 -1.392 1.00 0.00 C ATOM 539 CD GLU A 35 -10.505 -8.372 -1.235 1.00 0.00 C ATOM 540 OE1 GLU A 35 -11.015 -8.443 -0.094 1.00 0.00 O ATOM 541 OE2 GLU A 35 -11.153 -8.027 -2.243 1.00 0.00 O ATOM 0 H GLU A 35 -6.855 -10.722 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.932 -9.960 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.131 -10.694 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.375 -10.625 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.463 -8.207 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.684 -8.355 -2.355 1.00 0.00 H new ATOM 548 N GLY A 36 -7.741 -12.403 0.445 1.00 0.00 N ATOM 549 CA GLY A 36 -7.629 -13.767 0.916 1.00 0.00 C ATOM 550 C GLY A 36 -6.217 -14.090 1.340 1.00 0.00 C ATOM 551 O GLY A 36 -5.760 -13.668 2.407 1.00 0.00 O ATOM 0 H GLY A 36 -8.270 -11.779 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.307 -13.920 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.939 -14.452 0.127 1.00 0.00 H new ATOM 555 N ALA A 37 -5.530 -14.825 0.492 1.00 0.00 N ATOM 556 CA ALA A 37 -4.130 -15.160 0.708 1.00 0.00 C ATOM 557 C ALA A 37 -3.371 -15.095 -0.615 1.00 0.00 C ATOM 558 O ALA A 37 -2.332 -15.735 -0.786 1.00 0.00 O ATOM 559 CB ALA A 37 -4.015 -16.545 1.329 1.00 0.00 C ATOM 0 H ALA A 37 -5.922 -15.209 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.689 -14.438 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.964 -16.787 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.538 -16.560 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.460 -17.282 0.660 1.00 0.00 H new ATOM 565 N LEU A 38 -3.897 -14.308 -1.549 1.00 0.00 N ATOM 566 CA LEU A 38 -3.317 -14.202 -2.879 1.00 0.00 C ATOM 567 C LEU A 38 -2.592 -12.877 -3.052 1.00 0.00 C ATOM 568 O LEU A 38 -2.951 -11.874 -2.436 1.00 0.00 O ATOM 569 CB LEU A 38 -4.408 -14.330 -3.945 1.00 0.00 C ATOM 570 CG LEU A 38 -5.161 -15.662 -3.945 1.00 0.00 C ATOM 571 CD1 LEU A 38 -6.217 -15.679 -5.035 1.00 0.00 C ATOM 572 CD2 LEU A 38 -4.196 -16.823 -4.130 1.00 0.00 C ATOM 0 H LEU A 38 -4.727 -13.733 -1.406 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.598 -15.013 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.128 -13.523 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.955 -14.186 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.656 -15.772 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.741 -16.634 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.929 -14.871 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.740 -15.543 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.751 -17.761 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.673 -16.714 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.472 -16.827 -3.315 1.00 0.00 H new ATOM 584 N GLY A 39 -1.575 -12.882 -3.894 1.00 0.00 N ATOM 585 CA GLY A 39 -0.836 -11.674 -4.171 1.00 0.00 C ATOM 586 C GLY A 39 0.598 -11.760 -3.704 1.00 0.00 C ATOM 587 O GLY A 39 1.205 -12.832 -3.728 1.00 0.00 O ATOM 0 H GLY A 39 -1.246 -13.708 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.856 -11.476 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.325 -10.831 -3.682 1.00 0.00 H new ATOM 591 N HIS A 40 1.134 -10.631 -3.279 1.00 0.00 N ATOM 592 CA HIS A 40 2.507 -10.562 -2.807 1.00 0.00 C ATOM 593 C HIS A 40 2.522 -10.141 -1.342 1.00 0.00 C ATOM 594 O HIS A 40 1.522 -9.637 -0.842 1.00 0.00 O ATOM 595 CB HIS A 40 3.327 -9.578 -3.659 1.00 0.00 C ATOM 596 CG HIS A 40 2.777 -8.182 -3.690 1.00 0.00 C ATOM 597 ND1 HIS A 40 2.845 -7.303 -2.632 1.00 0.00 N ATOM 598 CD2 HIS A 40 2.141 -7.517 -4.688 1.00 0.00 C ATOM 599 CE1 HIS A 40 2.266 -6.160 -3.009 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.821 -6.237 -4.252 1.00 0.00 N ATOM 0 H HIS A 40 0.636 -9.742 -3.251 1.00 0.00 H new ATOM 0 HA HIS A 40 2.963 -11.548 -2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.347 -9.546 -3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.382 -9.957 -4.679 1.00 0.00 H new ATOM 0 HD1 HIS A 40 3.264 -7.492 -1.721 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.919 -7.919 -5.666 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.173 -5.287 -2.381 1.00 0.00 H new ATOM 608 N PRO A 41 3.647 -10.347 -0.634 1.00 0.00 N ATOM 609 CA PRO A 41 3.785 -9.930 0.767 1.00 0.00 C ATOM 610 C PRO A 41 3.683 -8.414 0.927 1.00 0.00 C ATOM 611 O PRO A 41 3.734 -7.673 -0.058 1.00 0.00 O ATOM 612 CB PRO A 41 5.186 -10.419 1.158 1.00 0.00 C ATOM 613 CG PRO A 41 5.907 -10.580 -0.131 1.00 0.00 C ATOM 614 CD PRO A 41 4.869 -11.007 -1.127 1.00 0.00 C ATOM 0 HA PRO A 41 2.993 -10.340 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.689 -9.701 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.138 -11.361 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.380 -9.646 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.698 -11.325 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.122 -10.685 -2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.759 -12.091 -1.156 1.00 0.00 H new ATOM 622 N ARG A 42 3.531 -7.970 2.172 1.00 0.00 N ATOM 623 CA ARG A 42 3.407 -6.552 2.491 1.00 0.00 C ATOM 624 C ARG A 42 4.593 -5.748 1.960 1.00 0.00 C ATOM 625 O ARG A 42 5.740 -5.985 2.340 1.00 0.00 O ATOM 626 CB ARG A 42 3.292 -6.363 4.010 1.00 0.00 C ATOM 627 CG ARG A 42 3.459 -4.919 4.457 1.00 0.00 C ATOM 628 CD ARG A 42 4.611 -4.772 5.441 1.00 0.00 C ATOM 629 NE ARG A 42 4.213 -5.086 6.815 1.00 0.00 N ATOM 630 CZ ARG A 42 4.743 -6.068 7.555 1.00 0.00 C ATOM 631 NH1 ARG A 42 5.610 -6.927 7.028 1.00 0.00 N ATOM 632 NH2 ARG A 42 4.381 -6.197 8.828 1.00 0.00 N ATOM 0 H ARG A 42 3.490 -8.583 2.986 1.00 0.00 H new ATOM 0 HA ARG A 42 2.504 -6.181 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.319 -6.727 4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.046 -6.977 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.638 -4.286 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.536 -4.571 4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.427 -5.430 5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.993 -3.752 5.400 1.00 0.00 H new ATOM 0 HE ARG A 42 3.480 -4.516 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.880 -6.843 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.006 -7.670 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.704 -5.551 9.234 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.780 -6.942 9.399 1.00 0.00 H new ATOM 646 N VAL A 43 4.301 -4.808 1.074 1.00 0.00 N ATOM 647 CA VAL A 43 5.304 -3.869 0.584 1.00 0.00 C ATOM 648 C VAL A 43 4.863 -2.450 0.929 1.00 0.00 C ATOM 649 O VAL A 43 3.676 -2.196 1.135 1.00 0.00 O ATOM 650 CB VAL A 43 5.520 -3.973 -0.946 1.00 0.00 C ATOM 651 CG1 VAL A 43 6.779 -3.234 -1.376 1.00 0.00 C ATOM 652 CG2 VAL A 43 5.570 -5.422 -1.403 1.00 0.00 C ATOM 0 H VAL A 43 3.372 -4.673 0.676 1.00 0.00 H new ATOM 0 HA VAL A 43 6.250 -4.117 1.065 1.00 0.00 H new ATOM 0 HB VAL A 43 4.665 -3.498 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.904 -3.325 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.692 -2.181 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.644 -3.666 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.723 -5.458 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.393 -5.933 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.631 -5.915 -1.153 1.00 0.00 H new ATOM 662 N TRP A 44 5.809 -1.533 0.993 1.00 0.00 N ATOM 663 CA TRP A 44 5.519 -0.166 1.371 1.00 0.00 C ATOM 664 C TRP A 44 5.637 0.769 0.179 1.00 0.00 C ATOM 665 O TRP A 44 6.712 0.917 -0.411 1.00 0.00 O ATOM 666 CB TRP A 44 6.460 0.278 2.485 1.00 0.00 C ATOM 667 CG TRP A 44 6.117 -0.312 3.820 1.00 0.00 C ATOM 668 CD1 TRP A 44 6.730 -1.364 4.439 1.00 0.00 C ATOM 669 CD2 TRP A 44 5.069 0.116 4.700 1.00 0.00 C ATOM 670 NE1 TRP A 44 6.129 -1.609 5.650 1.00 0.00 N ATOM 671 CE2 TRP A 44 5.110 -0.715 5.831 1.00 0.00 C ATOM 672 CE3 TRP A 44 4.102 1.125 4.638 1.00 0.00 C ATOM 673 CZ2 TRP A 44 4.223 -0.570 6.894 1.00 0.00 C ATOM 674 CZ3 TRP A 44 3.223 1.268 5.695 1.00 0.00 C ATOM 675 CH2 TRP A 44 3.289 0.425 6.810 1.00 0.00 C ATOM 0 H TRP A 44 6.791 -1.713 0.786 1.00 0.00 H new ATOM 0 HA TRP A 44 4.492 -0.123 1.732 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.480 -0.002 2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.437 1.365 2.559 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.563 -1.921 4.036 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.399 -2.340 6.308 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.043 1.779 3.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.271 -1.221 7.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.472 2.044 5.660 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.588 0.563 7.620 1.00 0.00 H new ATOM 686 N LEU A 45 4.530 1.386 -0.185 1.00 0.00 N ATOM 687 CA LEU A 45 4.515 2.341 -1.265 1.00 0.00 C ATOM 688 C LEU A 45 4.177 3.715 -0.720 1.00 0.00 C ATOM 689 O LEU A 45 3.654 3.841 0.385 1.00 0.00 O ATOM 690 CB LEU A 45 3.484 1.941 -2.315 1.00 0.00 C ATOM 691 CG LEU A 45 3.696 0.570 -2.964 1.00 0.00 C ATOM 692 CD1 LEU A 45 2.564 0.254 -3.932 1.00 0.00 C ATOM 693 CD2 LEU A 45 5.037 0.519 -3.680 1.00 0.00 C ATOM 0 H LEU A 45 3.624 1.238 0.259 1.00 0.00 H new ATOM 0 HA LEU A 45 5.500 2.362 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.497 1.955 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.479 2.697 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 45 3.696 -0.184 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.733 -0.724 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.616 0.247 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.531 1.013 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.170 -0.463 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.065 1.285 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.839 0.698 -2.964 1.00 0.00 H new ATOM 705 N SER A 46 4.468 4.738 -1.496 1.00 0.00 N ATOM 706 CA SER A 46 4.167 6.095 -1.092 1.00 0.00 C ATOM 707 C SER A 46 3.656 6.881 -2.282 1.00 0.00 C ATOM 708 O SER A 46 4.259 6.856 -3.353 1.00 0.00 O ATOM 709 CB SER A 46 5.411 6.768 -0.498 1.00 0.00 C ATOM 710 OG SER A 46 5.125 8.083 -0.042 1.00 0.00 O ATOM 0 H SER A 46 4.913 4.655 -2.410 1.00 0.00 H new ATOM 0 HA SER A 46 3.394 6.072 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.789 6.169 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.199 6.806 -1.250 1.00 0.00 H new ATOM 0 HG SER A 46 5.937 8.483 0.332 1.00 0.00 H new ATOM 716 N ILE A 47 2.531 7.546 -2.096 1.00 0.00 N ATOM 717 CA ILE A 47 1.979 8.407 -3.124 1.00 0.00 C ATOM 718 C ILE A 47 2.831 9.662 -3.248 1.00 0.00 C ATOM 719 O ILE A 47 2.926 10.453 -2.307 1.00 0.00 O ATOM 720 CB ILE A 47 0.518 8.803 -2.817 1.00 0.00 C ATOM 721 CG1 ILE A 47 -0.364 7.556 -2.736 1.00 0.00 C ATOM 722 CG2 ILE A 47 -0.007 9.757 -3.879 1.00 0.00 C ATOM 723 CD1 ILE A 47 -1.807 7.858 -2.398 1.00 0.00 C ATOM 0 H ILE A 47 1.980 7.506 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 47 1.985 7.853 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 47 0.490 9.311 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.325 7.031 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.043 6.881 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.038 10.027 -3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.608 10.657 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.032 9.272 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.374 6.928 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.857 8.356 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.231 8.508 -3.163 1.00 0.00 H new ATOM 735 N PRO A 48 3.495 9.840 -4.394 1.00 0.00 N ATOM 736 CA PRO A 48 4.334 11.007 -4.640 1.00 0.00 C ATOM 737 C PRO A 48 3.504 12.281 -4.743 1.00 0.00 C ATOM 738 O PRO A 48 2.471 12.309 -5.418 1.00 0.00 O ATOM 739 CB PRO A 48 5.016 10.701 -5.981 1.00 0.00 C ATOM 740 CG PRO A 48 4.788 9.246 -6.220 1.00 0.00 C ATOM 741 CD PRO A 48 3.494 8.918 -5.538 1.00 0.00 C ATOM 0 HA PRO A 48 5.043 11.179 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.590 11.302 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.081 10.930 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.734 9.029 -7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.606 8.650 -5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.638 9.083 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.456 7.876 -5.220 1.00 0.00 H new ATOM 749 N HIS A 49 3.969 13.339 -4.089 1.00 0.00 N ATOM 750 CA HIS A 49 3.277 14.627 -4.105 1.00 0.00 C ATOM 751 C HIS A 49 3.476 15.310 -5.452 1.00 0.00 C ATOM 752 O HIS A 49 2.985 16.414 -5.687 1.00 0.00 O ATOM 753 CB HIS A 49 3.790 15.534 -2.976 1.00 0.00 C ATOM 754 CG HIS A 49 3.474 15.035 -1.596 1.00 0.00 C ATOM 755 ND1 HIS A 49 2.686 15.733 -0.708 1.00 0.00 N ATOM 756 CD2 HIS A 49 3.861 13.910 -0.948 1.00 0.00 C ATOM 757 CE1 HIS A 49 2.604 15.064 0.426 1.00 0.00 C ATOM 758 NE2 HIS A 49 3.306 13.955 0.304 1.00 0.00 N ATOM 0 H HIS A 49 4.827 13.332 -3.537 1.00 0.00 H new ATOM 0 HA HIS A 49 2.213 14.448 -3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.870 15.641 -3.073 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.359 16.528 -3.099 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.489 13.125 -1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.056 15.372 1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.418 13.244 1.026 1.00 0.00 H new ATOM 767 N GLU A 50 4.204 14.633 -6.328 1.00 0.00 N ATOM 768 CA GLU A 50 4.502 15.141 -7.655 1.00 0.00 C ATOM 769 C GLU A 50 3.542 14.557 -8.693 1.00 0.00 C ATOM 770 O GLU A 50 3.459 15.047 -9.820 1.00 0.00 O ATOM 771 CB GLU A 50 5.948 14.789 -8.012 1.00 0.00 C ATOM 772 CG GLU A 50 6.214 13.293 -8.000 1.00 0.00 C ATOM 773 CD GLU A 50 7.687 12.954 -8.048 1.00 0.00 C ATOM 774 OE1 GLU A 50 8.303 13.108 -9.118 1.00 0.00 O ATOM 775 OE2 GLU A 50 8.232 12.521 -7.013 1.00 0.00 O ATOM 0 H GLU A 50 4.604 13.715 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 50 4.376 16.224 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.180 15.186 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.620 15.278 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.776 12.859 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.713 12.834 -8.852 1.00 0.00 H new ATOM 782 N THR A 51 2.819 13.510 -8.310 1.00 0.00 N ATOM 783 CA THR A 51 1.909 12.836 -9.229 1.00 0.00 C ATOM 784 C THR A 51 0.469 12.861 -8.720 1.00 0.00 C ATOM 785 O THR A 51 -0.456 13.197 -9.460 1.00 0.00 O ATOM 786 CB THR A 51 2.340 11.372 -9.461 1.00 0.00 C ATOM 787 OG1 THR A 51 2.527 10.715 -8.201 1.00 0.00 O ATOM 788 CG2 THR A 51 3.624 11.295 -10.277 1.00 0.00 C ATOM 0 H THR A 51 2.845 13.110 -7.372 1.00 0.00 H new ATOM 0 HA THR A 51 1.955 13.381 -10.172 1.00 0.00 H new ATOM 0 HB THR A 51 1.551 10.872 -10.022 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.996 9.892 -8.179 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.900 10.251 -10.423 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.468 11.768 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.424 11.811 -9.746 1.00 0.00 H new ATOM 796 N GLY A 52 0.281 12.494 -7.457 1.00 0.00 N ATOM 797 CA GLY A 52 -1.056 12.443 -6.892 1.00 0.00 C ATOM 798 C GLY A 52 -1.586 11.024 -6.814 1.00 0.00 C ATOM 799 O GLY A 52 -2.657 10.775 -6.260 1.00 0.00 O ATOM 0 H GLY A 52 1.029 12.231 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.045 12.881 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.729 13.049 -7.499 1.00 0.00 H new ATOM 803 N PHE A 53 -0.828 10.088 -7.372 1.00 0.00 N ATOM 804 CA PHE A 53 -1.200 8.682 -7.356 1.00 0.00 C ATOM 805 C PHE A 53 0.044 7.825 -7.556 1.00 0.00 C ATOM 806 O PHE A 53 1.100 8.340 -7.938 1.00 0.00 O ATOM 807 CB PHE A 53 -2.239 8.375 -8.446 1.00 0.00 C ATOM 808 CG PHE A 53 -1.720 8.508 -9.851 1.00 0.00 C ATOM 809 CD1 PHE A 53 -1.570 9.754 -10.438 1.00 0.00 C ATOM 810 CD2 PHE A 53 -1.385 7.382 -10.587 1.00 0.00 C ATOM 811 CE1 PHE A 53 -1.093 9.875 -11.727 1.00 0.00 C ATOM 812 CE2 PHE A 53 -0.908 7.498 -11.877 1.00 0.00 C ATOM 813 CZ PHE A 53 -0.763 8.745 -12.448 1.00 0.00 C ATOM 0 H PHE A 53 0.055 10.282 -7.845 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.649 8.450 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.610 7.360 -8.303 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.089 9.045 -8.320 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.830 10.641 -9.880 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.499 6.403 -10.146 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.978 10.853 -12.171 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.648 6.613 -12.439 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.392 8.837 -13.458 1.00 0.00 H new ATOM 823 N VAL A 54 -0.078 6.530 -7.304 1.00 0.00 N ATOM 824 CA VAL A 54 1.045 5.617 -7.461 1.00 0.00 C ATOM 825 C VAL A 54 0.583 4.298 -8.079 1.00 0.00 C ATOM 826 O VAL A 54 -0.490 3.782 -7.747 1.00 0.00 O ATOM 827 CB VAL A 54 1.765 5.358 -6.110 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.831 4.711 -5.098 1.00 0.00 C ATOM 829 CG2 VAL A 54 3.012 4.510 -6.308 1.00 0.00 C ATOM 0 H VAL A 54 -0.942 6.088 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 54 1.761 6.090 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 54 2.071 6.326 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.367 4.543 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.019 5.368 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.476 3.757 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.496 4.344 -5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.734 3.551 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.701 5.026 -6.976 1.00 0.00 H new ATOM 839 N GLU A 55 1.378 3.787 -9.003 1.00 0.00 N ATOM 840 CA GLU A 55 1.093 2.521 -9.654 1.00 0.00 C ATOM 841 C GLU A 55 2.035 1.447 -9.124 1.00 0.00 C ATOM 842 O GLU A 55 3.237 1.679 -8.993 1.00 0.00 O ATOM 843 CB GLU A 55 1.250 2.662 -11.171 1.00 0.00 C ATOM 844 CG GLU A 55 0.281 3.655 -11.792 1.00 0.00 C ATOM 845 CD GLU A 55 0.524 3.864 -13.271 1.00 0.00 C ATOM 846 OE1 GLU A 55 0.451 2.879 -14.035 1.00 0.00 O ATOM 847 OE2 GLU A 55 0.775 5.017 -13.683 1.00 0.00 O ATOM 0 H GLU A 55 2.236 4.236 -9.322 1.00 0.00 H new ATOM 0 HA GLU A 55 0.065 2.230 -9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.270 2.974 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.105 1.687 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.739 3.302 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.367 4.611 -11.276 1.00 0.00 H new ATOM 854 N CYS A 56 1.489 0.282 -8.808 1.00 0.00 N ATOM 855 CA CYS A 56 2.288 -0.804 -8.257 1.00 0.00 C ATOM 856 C CYS A 56 3.133 -1.452 -9.354 1.00 0.00 C ATOM 857 O CYS A 56 2.717 -1.512 -10.516 1.00 0.00 O ATOM 858 CB CYS A 56 1.382 -1.847 -7.592 1.00 0.00 C ATOM 859 SG CYS A 56 2.269 -3.154 -6.707 1.00 0.00 S ATOM 0 H CYS A 56 0.499 0.064 -8.923 1.00 0.00 H new ATOM 0 HA CYS A 56 2.958 -0.395 -7.501 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.716 -1.340 -6.894 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.754 -2.305 -8.356 1.00 0.00 H new ATOM 0 HG CYS A 56 1.414 -3.980 -6.181 1.00 0.00 H new ATOM 865 N GLY A 57 4.325 -1.914 -8.986 1.00 0.00 N ATOM 866 CA GLY A 57 5.200 -2.577 -9.939 1.00 0.00 C ATOM 867 C GLY A 57 5.067 -4.087 -9.883 1.00 0.00 C ATOM 868 O GLY A 57 5.481 -4.794 -10.802 1.00 0.00 O ATOM 0 H GLY A 57 4.702 -1.841 -8.041 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.967 -2.230 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.234 -2.297 -9.737 1.00 0.00 H new ATOM 872 N TYR A 58 4.502 -4.578 -8.790 1.00 0.00 N ATOM 873 CA TYR A 58 4.266 -5.998 -8.613 1.00 0.00 C ATOM 874 C TYR A 58 2.888 -6.375 -9.130 1.00 0.00 C ATOM 875 O TYR A 58 2.744 -7.224 -10.012 1.00 0.00 O ATOM 876 CB TYR A 58 4.377 -6.365 -7.135 1.00 0.00 C ATOM 877 CG TYR A 58 5.795 -6.415 -6.615 1.00 0.00 C ATOM 878 CD1 TYR A 58 6.447 -5.262 -6.198 1.00 0.00 C ATOM 879 CD2 TYR A 58 6.477 -7.621 -6.535 1.00 0.00 C ATOM 880 CE1 TYR A 58 7.742 -5.310 -5.720 1.00 0.00 C ATOM 881 CE2 TYR A 58 7.771 -7.677 -6.058 1.00 0.00 C ATOM 882 CZ TYR A 58 8.398 -6.520 -5.650 1.00 0.00 C ATOM 883 OH TYR A 58 9.688 -6.573 -5.175 1.00 0.00 O ATOM 0 H TYR A 58 4.196 -4.003 -8.005 1.00 0.00 H new ATOM 0 HA TYR A 58 5.018 -6.547 -9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.812 -5.640 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.909 -7.337 -6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.934 -4.313 -6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.987 -8.530 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 58 8.238 -4.404 -5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.289 -8.623 -6.005 1.00 0.00 H new ATOM 0 HH TYR A 58 10.004 -7.500 -5.190 1.00 0.00 H new ATOM 893 N CYS A 59 1.874 -5.734 -8.577 1.00 0.00 N ATOM 894 CA CYS A 59 0.505 -6.002 -8.964 1.00 0.00 C ATOM 895 C CYS A 59 0.004 -4.887 -9.875 1.00 0.00 C ATOM 896 O CYS A 59 0.647 -3.845 -10.000 1.00 0.00 O ATOM 897 CB CYS A 59 -0.377 -6.121 -7.717 1.00 0.00 C ATOM 898 SG CYS A 59 -2.085 -6.631 -8.037 1.00 0.00 S ATOM 0 H CYS A 59 1.976 -5.021 -7.855 1.00 0.00 H new ATOM 0 HA CYS A 59 0.459 -6.945 -9.508 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.079 -6.838 -7.034 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.390 -5.158 -7.206 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.735 -6.700 -6.913 1.00 0.00 H new ATOM 904 N ASP A 60 -1.136 -5.111 -10.506 1.00 0.00 N ATOM 905 CA ASP A 60 -1.714 -4.144 -11.420 1.00 0.00 C ATOM 906 C ASP A 60 -2.616 -3.167 -10.675 1.00 0.00 C ATOM 907 O ASP A 60 -3.291 -2.338 -11.283 1.00 0.00 O ATOM 908 CB ASP A 60 -2.516 -4.852 -12.517 1.00 0.00 C ATOM 909 CG ASP A 60 -1.665 -5.774 -13.368 1.00 0.00 C ATOM 910 OD1 ASP A 60 -1.319 -6.879 -12.892 1.00 0.00 O ATOM 911 OD2 ASP A 60 -1.342 -5.409 -14.518 1.00 0.00 O ATOM 0 H ASP A 60 -1.684 -5.965 -10.399 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.897 -3.588 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.320 -5.428 -12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.985 -4.105 -13.157 1.00 0.00 H new ATOM 916 N ARG A 61 -2.623 -3.273 -9.353 1.00 0.00 N ATOM 917 CA ARG A 61 -3.471 -2.429 -8.524 1.00 0.00 C ATOM 918 C ARG A 61 -2.922 -1.008 -8.480 1.00 0.00 C ATOM 919 O ARG A 61 -1.709 -0.794 -8.543 1.00 0.00 O ATOM 920 CB ARG A 61 -3.574 -2.997 -7.106 1.00 0.00 C ATOM 921 CG ARG A 61 -4.707 -2.396 -6.288 1.00 0.00 C ATOM 922 CD ARG A 61 -4.835 -3.061 -4.924 1.00 0.00 C ATOM 923 NE ARG A 61 -4.985 -4.512 -5.032 1.00 0.00 N ATOM 924 CZ ARG A 61 -6.143 -5.162 -4.887 1.00 0.00 C ATOM 925 NH1 ARG A 61 -7.264 -4.493 -4.633 1.00 0.00 N ATOM 926 NH2 ARG A 61 -6.170 -6.486 -4.990 1.00 0.00 N ATOM 0 H ARG A 61 -2.050 -3.936 -8.832 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.468 -2.408 -8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.713 -4.076 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.631 -2.826 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.533 -1.328 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.645 -2.502 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.954 -2.832 -4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.695 -2.646 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.151 -5.064 -5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.243 -3.477 -4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.145 -4.996 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.310 -7.000 -5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.051 -6.988 -4.880 1.00 0.00 H new ATOM 940 N ARG A 62 -3.819 -0.049 -8.355 1.00 0.00 N ATOM 941 CA ARG A 62 -3.456 1.360 -8.398 1.00 0.00 C ATOM 942 C ARG A 62 -3.911 2.058 -7.125 1.00 0.00 C ATOM 943 O ARG A 62 -4.928 1.684 -6.544 1.00 0.00 O ATOM 944 CB ARG A 62 -4.098 2.010 -9.625 1.00 0.00 C ATOM 945 CG ARG A 62 -3.622 3.426 -9.911 1.00 0.00 C ATOM 946 CD ARG A 62 -4.139 3.909 -11.256 1.00 0.00 C ATOM 947 NE ARG A 62 -3.832 2.948 -12.316 1.00 0.00 N ATOM 948 CZ ARG A 62 -3.137 3.242 -13.415 1.00 0.00 C ATOM 949 NH1 ARG A 62 -2.797 4.499 -13.679 1.00 0.00 N ATOM 950 NH2 ARG A 62 -2.822 2.276 -14.270 1.00 0.00 N ATOM 0 H ARG A 62 -4.816 -0.220 -8.221 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.372 1.454 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.895 1.389 -10.497 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.179 2.024 -9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.965 4.096 -9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.532 3.457 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.217 4.062 -11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.692 4.874 -11.495 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.171 1.992 -12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.068 5.246 -13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.265 4.717 -14.522 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.112 1.316 -14.084 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.290 2.494 -15.113 1.00 0.00 H new ATOM 964 N TYR A 63 -3.155 3.054 -6.681 1.00 0.00 N ATOM 965 CA TYR A 63 -3.511 3.811 -5.491 1.00 0.00 C ATOM 966 C TYR A 63 -3.547 5.297 -5.816 1.00 0.00 C ATOM 967 O TYR A 63 -2.557 5.859 -6.286 1.00 0.00 O ATOM 968 CB TYR A 63 -2.508 3.538 -4.365 1.00 0.00 C ATOM 969 CG TYR A 63 -2.498 2.100 -3.889 1.00 0.00 C ATOM 970 CD1 TYR A 63 -1.686 1.151 -4.496 1.00 0.00 C ATOM 971 CD2 TYR A 63 -3.306 1.694 -2.838 1.00 0.00 C ATOM 972 CE1 TYR A 63 -1.681 -0.165 -4.069 1.00 0.00 C ATOM 973 CE2 TYR A 63 -3.307 0.381 -2.406 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.493 -0.543 -3.022 1.00 0.00 C ATOM 975 OH TYR A 63 -2.497 -1.854 -2.594 1.00 0.00 O ATOM 0 H TYR A 63 -2.290 3.356 -7.129 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.500 3.497 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.509 3.804 -4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.738 4.188 -3.521 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.047 1.445 -5.316 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.945 2.415 -2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.045 -0.891 -4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.944 0.081 -1.588 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.588 -2.217 -2.645 1.00 0.00 H new ATOM 985 N ILE A 64 -4.687 5.924 -5.577 1.00 0.00 N ATOM 986 CA ILE A 64 -4.862 7.332 -5.891 1.00 0.00 C ATOM 987 C ILE A 64 -5.262 8.110 -4.640 1.00 0.00 C ATOM 988 O ILE A 64 -6.003 7.602 -3.798 1.00 0.00 O ATOM 989 CB ILE A 64 -5.921 7.533 -7.004 1.00 0.00 C ATOM 990 CG1 ILE A 64 -5.509 6.776 -8.269 1.00 0.00 C ATOM 991 CG2 ILE A 64 -6.108 9.011 -7.307 1.00 0.00 C ATOM 992 CD1 ILE A 64 -6.476 6.937 -9.422 1.00 0.00 C ATOM 0 H ILE A 64 -5.507 5.478 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.909 7.713 -6.258 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.872 7.134 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.524 7.121 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.415 5.716 -8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.856 9.130 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.441 9.528 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.162 9.437 -7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.115 6.372 -10.281 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.457 6.564 -9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.553 7.991 -9.688 1.00 0.00 H new ATOM 1004 N HIS A 65 -4.755 9.332 -4.518 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.027 10.165 -3.358 1.00 0.00 C ATOM 1006 C HIS A 65 -6.497 10.590 -3.319 1.00 0.00 C ATOM 1007 O HIS A 65 -7.114 10.845 -4.359 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.115 11.392 -3.378 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.239 12.260 -2.163 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -4.870 13.477 -2.217 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -3.808 12.041 -0.898 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -4.809 13.970 -0.993 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.174 13.136 -0.160 1.00 0.00 N ATOM 0 H HIS A 65 -4.150 9.767 -5.214 1.00 0.00 H new ATOM 0 HA HIS A 65 -4.825 9.584 -2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.080 11.062 -3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.342 11.987 -4.262 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.278 11.171 -0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.220 14.925 -0.701 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.997 13.287 0.833 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.035 10.657 -2.106 1.00 0.00 N ATOM 1022 CA GLU A 66 -8.424 11.025 -1.854 1.00 0.00 C ATOM 1023 C GLU A 66 -8.861 12.297 -2.592 1.00 0.00 C ATOM 1024 O GLU A 66 -9.981 12.366 -3.100 1.00 0.00 O ATOM 1025 CB GLU A 66 -8.622 11.220 -0.352 1.00 0.00 C ATOM 1026 CG GLU A 66 -7.668 12.239 0.254 1.00 0.00 C ATOM 1027 CD GLU A 66 -8.070 12.662 1.648 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -9.133 13.306 1.789 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -7.321 12.376 2.600 1.00 0.00 O ATOM 0 H GLU A 66 -6.509 10.454 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.044 10.213 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.648 11.538 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.488 10.263 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.663 11.817 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.626 13.118 -0.389 1.00 0.00 H new ATOM 1036 N SER A 67 -7.987 13.296 -2.655 1.00 0.00 N ATOM 1037 CA SER A 67 -8.357 14.599 -3.202 1.00 0.00 C ATOM 1038 C SER A 67 -8.567 14.545 -4.715 1.00 0.00 C ATOM 1039 O SER A 67 -9.204 15.427 -5.290 1.00 0.00 O ATOM 1040 CB SER A 67 -7.299 15.641 -2.842 1.00 0.00 C ATOM 1041 OG SER A 67 -7.213 15.805 -1.432 1.00 0.00 O ATOM 0 H SER A 67 -7.021 13.230 -2.336 1.00 0.00 H new ATOM 0 HA SER A 67 -9.308 14.888 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.330 15.334 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.547 16.594 -3.309 1.00 0.00 H new ATOM 0 HG SER A 67 -6.529 16.475 -1.222 1.00 0.00 H new ATOM 1047 N PHE A 68 -8.055 13.503 -5.357 1.00 0.00 N ATOM 1048 CA PHE A 68 -8.226 13.351 -6.796 1.00 0.00 C ATOM 1049 C PHE A 68 -9.601 12.763 -7.107 1.00 0.00 C ATOM 1050 O PHE A 68 -10.145 12.953 -8.194 1.00 0.00 O ATOM 1051 CB PHE A 68 -7.120 12.465 -7.376 1.00 0.00 C ATOM 1052 CG PHE A 68 -7.130 12.376 -8.880 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -6.594 13.395 -9.652 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -7.673 11.273 -9.519 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -6.602 13.316 -11.032 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -7.681 11.189 -10.899 1.00 0.00 C ATOM 1057 CZ PHE A 68 -7.145 12.210 -11.655 1.00 0.00 C ATOM 0 H PHE A 68 -7.523 12.757 -4.909 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.157 14.335 -7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.153 12.850 -7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.219 11.461 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.165 14.261 -9.170 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.095 10.470 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.184 14.118 -11.622 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.107 10.324 -11.385 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.150 12.145 -12.733 1.00 0.00 H new ATOM 1067 N ALA A 69 -10.177 12.084 -6.124 1.00 0.00 N ATOM 1068 CA ALA A 69 -11.463 11.411 -6.300 1.00 0.00 C ATOM 1069 C ALA A 69 -12.633 12.381 -6.132 1.00 0.00 C ATOM 1070 O ALA A 69 -13.801 11.978 -6.180 1.00 0.00 O ATOM 1071 CB ALA A 69 -11.582 10.261 -5.313 1.00 0.00 C ATOM 0 H ALA A 69 -9.775 11.983 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.505 11.020 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.542 9.763 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.776 9.548 -5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.513 10.646 -4.296 1.00 0.00 H new ATOM 1077 N ALA A 70 -12.316 13.656 -5.932 1.00 0.00 N ATOM 1078 CA ALA A 70 -13.333 14.690 -5.781 1.00 0.00 C ATOM 1079 C ALA A 70 -13.910 15.066 -7.144 1.00 0.00 C ATOM 1080 O ALA A 70 -15.116 15.305 -7.272 1.00 0.00 O ATOM 1081 CB ALA A 70 -12.745 15.913 -5.078 1.00 0.00 C ATOM 0 H ALA A 70 -11.357 13.999 -5.871 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.143 14.302 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.515 16.677 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.381 15.626 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.919 16.310 -5.668 1.00 0.00 H new ATOM 1087 N ALA A 71 -13.028 15.098 -8.154 1.00 0.00 N ATOM 1088 CA ALA A 71 -13.393 15.413 -9.540 1.00 0.00 C ATOM 1089 C ALA A 71 -13.842 16.868 -9.708 1.00 0.00 C ATOM 1090 O ALA A 71 -13.210 17.643 -10.425 1.00 0.00 O ATOM 1091 CB ALA A 71 -14.464 14.457 -10.038 1.00 0.00 C ATOM 0 H ALA A 71 -12.034 14.904 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.496 15.286 -10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -14.723 14.705 -11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.088 13.435 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -15.350 14.545 -9.410 1.00 0.00 H new ATOM 1097 N LYS A 72 -14.933 17.234 -9.054 1.00 0.00 N ATOM 1098 CA LYS A 72 -15.461 18.587 -9.142 1.00 0.00 C ATOM 1099 C LYS A 72 -15.030 19.395 -7.927 1.00 0.00 C ATOM 1100 O LYS A 72 -15.502 19.162 -6.813 1.00 0.00 O ATOM 1101 CB LYS A 72 -16.992 18.577 -9.255 1.00 0.00 C ATOM 1102 CG LYS A 72 -17.529 17.973 -10.554 1.00 0.00 C ATOM 1103 CD LYS A 72 -17.359 16.459 -10.597 1.00 0.00 C ATOM 1104 CE LYS A 72 -17.743 15.877 -11.950 1.00 0.00 C ATOM 1105 NZ LYS A 72 -19.188 16.047 -12.256 1.00 0.00 N ATOM 0 H LYS A 72 -15.472 16.610 -8.454 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.059 19.052 -10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -17.402 18.019 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -17.357 19.600 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -18.585 18.222 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.010 18.420 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.323 16.205 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.973 16.004 -9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.151 16.358 -12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.494 14.816 -11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.400 15.619 -13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.756 15.581 -11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.420 17.060 -12.283 1.00 0.00 H new ATOM 1119 N LEU A 73 -14.122 20.334 -8.149 1.00 0.00 N ATOM 1120 CA LEU A 73 -13.559 21.129 -7.064 1.00 0.00 C ATOM 1121 C LEU A 73 -14.393 22.380 -6.796 1.00 0.00 C ATOM 1122 O LEU A 73 -15.468 22.565 -7.372 1.00 0.00 O ATOM 1123 CB LEU A 73 -12.115 21.524 -7.396 1.00 0.00 C ATOM 1124 CG LEU A 73 -11.133 20.361 -7.575 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -9.760 20.883 -7.973 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -11.042 19.538 -6.297 1.00 0.00 C ATOM 0 H LEU A 73 -13.758 20.566 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.570 20.518 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.121 22.115 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.743 22.171 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.502 19.716 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.074 20.045 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.837 21.430 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.384 21.548 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.340 18.717 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.695 20.171 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.025 19.136 -6.052 1.00 0.00 H new ATOM 1138 N GLU A 74 -13.881 23.231 -5.918 1.00 0.00 N ATOM 1139 CA GLU A 74 -14.549 24.475 -5.561 1.00 0.00 C ATOM 1140 C GLU A 74 -14.489 25.471 -6.716 1.00 0.00 C ATOM 1141 O GLU A 74 -15.434 26.222 -6.959 1.00 0.00 O ATOM 1142 CB GLU A 74 -13.934 25.071 -4.283 1.00 0.00 C ATOM 1143 CG GLU A 74 -12.528 24.570 -3.950 1.00 0.00 C ATOM 1144 CD GLU A 74 -11.466 25.061 -4.913 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -11.328 24.481 -6.008 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -10.758 26.029 -4.581 1.00 0.00 O ATOM 0 H GLU A 74 -12.995 23.080 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.598 24.258 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.903 26.156 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.592 24.848 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.267 24.889 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.530 23.480 -3.949 1.00 0.00 H new ATOM 1153 N HIS A 75 -13.375 25.466 -7.431 1.00 0.00 N ATOM 1154 CA HIS A 75 -13.237 26.278 -8.629 1.00 0.00 C ATOM 1155 C HIS A 75 -13.938 25.607 -9.799 1.00 0.00 C ATOM 1156 O HIS A 75 -13.344 24.812 -10.525 1.00 0.00 O ATOM 1157 CB HIS A 75 -11.762 26.527 -8.960 1.00 0.00 C ATOM 1158 CG HIS A 75 -11.143 27.635 -8.163 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -10.755 27.504 -6.848 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -10.849 28.910 -8.513 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -10.256 28.650 -6.421 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -10.300 29.518 -7.413 1.00 0.00 N ATOM 0 H HIS A 75 -12.553 24.908 -7.202 1.00 0.00 H new ATOM 0 HA HIS A 75 -13.706 27.244 -8.442 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.200 25.609 -8.786 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -11.672 26.760 -10.021 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -11.016 29.364 -9.479 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.877 28.843 -5.429 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.978 30.485 -7.369 1.00 0.00 H new ATOM 1171 N HIS A 76 -15.221 25.901 -9.948 1.00 0.00 N ATOM 1172 CA HIS A 76 -16.009 25.340 -11.031 1.00 0.00 C ATOM 1173 C HIS A 76 -15.628 25.998 -12.347 1.00 0.00 C ATOM 1174 O HIS A 76 -15.873 27.187 -12.548 1.00 0.00 O ATOM 1175 CB HIS A 76 -17.512 25.521 -10.780 1.00 0.00 C ATOM 1176 CG HIS A 76 -18.030 24.786 -9.583 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -18.428 23.466 -9.622 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -18.248 25.202 -8.314 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -18.860 23.105 -8.428 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -18.764 24.140 -7.614 1.00 0.00 N ATOM 0 H HIS A 76 -15.738 26.527 -9.330 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.797 24.272 -11.081 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -17.723 26.584 -10.659 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -18.059 25.186 -11.662 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.052 26.190 -7.923 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -19.230 22.126 -8.161 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -19.029 24.149 -6.629 1.00 0.00 H new ATOM 1189 N HIS A 77 -15.048 25.219 -13.247 1.00 0.00 N ATOM 1190 CA HIS A 77 -14.600 25.745 -14.530 1.00 0.00 C ATOM 1191 C HIS A 77 -15.776 25.873 -15.505 1.00 0.00 C ATOM 1192 O HIS A 77 -15.590 26.019 -16.712 1.00 0.00 O ATOM 1193 CB HIS A 77 -13.496 24.856 -15.116 1.00 0.00 C ATOM 1194 CG HIS A 77 -12.728 25.523 -16.212 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -12.374 24.890 -17.379 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -12.256 26.786 -16.311 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -11.717 25.733 -18.150 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -11.633 26.894 -17.525 1.00 0.00 N ATOM 0 H HIS A 77 -14.876 24.222 -13.115 1.00 0.00 H new ATOM 0 HA HIS A 77 -14.188 26.741 -14.370 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -12.808 24.569 -14.321 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -13.942 23.938 -15.499 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -12.353 27.565 -15.570 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -11.315 25.512 -19.128 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.179 27.732 -17.887 1.00 0.00 H new ATOM 1207 N HIS A 78 -16.990 25.836 -14.962 1.00 0.00 N ATOM 1208 CA HIS A 78 -18.203 26.056 -15.745 1.00 0.00 C ATOM 1209 C HIS A 78 -18.209 27.497 -16.257 1.00 0.00 C ATOM 1210 O HIS A 78 -18.742 27.799 -17.326 1.00 0.00 O ATOM 1211 CB HIS A 78 -19.437 25.798 -14.868 1.00 0.00 C ATOM 1212 CG HIS A 78 -20.728 25.630 -15.620 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -21.600 24.593 -15.373 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -21.310 26.380 -16.587 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -22.656 24.709 -16.154 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -22.508 25.786 -16.901 1.00 0.00 N ATOM 0 H HIS A 78 -17.160 25.654 -13.973 1.00 0.00 H new ATOM 0 HA HIS A 78 -18.228 25.371 -16.593 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -19.261 24.901 -14.274 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -19.547 26.627 -14.169 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -20.906 27.279 -17.029 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -23.500 24.036 -16.178 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -23.173 26.122 -17.597 1.00 0.00 H new ATOM 1225 N HIS A 79 -17.598 28.375 -15.476 1.00 0.00 N ATOM 1226 CA HIS A 79 -17.474 29.777 -15.831 1.00 0.00 C ATOM 1227 C HIS A 79 -16.052 30.040 -16.307 1.00 0.00 C ATOM 1228 O HIS A 79 -15.103 29.507 -15.732 1.00 0.00 O ATOM 1229 CB HIS A 79 -17.793 30.656 -14.618 1.00 0.00 C ATOM 1230 CG HIS A 79 -17.986 32.104 -14.946 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -16.958 32.957 -15.293 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -19.112 32.853 -14.962 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -17.446 34.164 -15.506 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -18.752 34.130 -15.312 1.00 0.00 N ATOM 0 H HIS A 79 -17.175 28.134 -14.580 1.00 0.00 H new ATOM 0 HA HIS A 79 -18.178 30.018 -16.627 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -18.696 30.280 -14.138 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.984 30.563 -13.893 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -15.975 32.695 -15.372 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -20.111 32.509 -14.740 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.873 35.034 -15.791 1.00 0.00 H new ATOM 1243 N HIS A 80 -15.909 30.826 -17.367 1.00 0.00 N ATOM 1244 CA HIS A 80 -14.588 31.198 -17.867 1.00 0.00 C ATOM 1245 C HIS A 80 -13.820 31.981 -16.811 1.00 0.00 C ATOM 1246 O HIS A 80 -12.731 31.528 -16.403 1.00 0.00 O ATOM 1247 CB HIS A 80 -14.693 32.029 -19.151 1.00 0.00 C ATOM 1248 CG HIS A 80 -15.298 31.299 -20.310 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -14.693 30.228 -20.927 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -16.462 31.499 -20.967 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -15.461 29.799 -21.911 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -16.542 30.556 -21.960 1.00 0.00 N ATOM 1253 OXT HIS A 80 -14.321 33.038 -16.373 1.00 0.00 O ATOM 0 H HIS A 80 -16.688 31.218 -17.897 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.050 30.278 -18.095 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.288 32.919 -18.946 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.696 32.370 -19.432 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.195 32.262 -20.750 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.242 28.969 -22.566 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.309 30.456 -22.625 1.00 0.00 H new TER 1262 HIS A 80