USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 797 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 46 MET CE :methyl -170:sc= -1.18 (180deg=-0.9) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.883 K(o=-2.1,f=-13!) USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0.476 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.2 USER MOD Set 2.3: A 55 LYS NZ :NH3+ -119:sc= -0.222 (180deg=-0.18) USER MOD Set 3.1: A 18 MET CE :methyl 158:sc= -3.63 (180deg=-2.01) USER MOD Set 3.2: A 86 MET CE :methyl -170:sc= -10.7! (180deg=-10.6!) USER MOD Set 4.1: A 4 THR OG1 : rot 130:sc= -1.35 USER MOD Set 4.2: A 6 GLN : amide:sc= -2.97 K(o=-4.3,f=-3.8!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 153:sc= -2.09 (180deg=-3.88!) USER MOD Single : A 7 GLN : amide:sc= -2.12 K(o=-2.1,f=-4.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.174) USER MOD Single : A 28 MET CE :methyl 135:sc= -0.559 (180deg=-3.69!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 176:sc= -9.68! (180deg=-9.95!) USER MOD Single : A 52 ASN : amide:sc= -0.314 K(o=-0.31,f=-0.99) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -98:sc= 0.756 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -151:sc= -0.661 (180deg=-2.78!) USER MOD Single : A 82 MET CE :methyl -117:sc= -9.75! (180deg=-10.8!) USER MOD Single : A 85 GLN : amide:sc= -7.05 K(o=-7.1,f=-9.5!) USER MOD Single : A 87 LYS NZ :NH3+ -175:sc= -0.485 (180deg=-0.545) USER MOD Single : B 116 MET CE :methyl 139:sc= -0.245 (180deg=-0.81) USER MOD Single : B 117 SER OG : rot -68:sc= 0.996 USER MOD Single : B 121 MET CE :methyl 137:sc= -6.94! (180deg=-8.04!) USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ -174:sc= -0.508 (180deg=-0.691) USER MOD Single : B 130 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.54) USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.577 -0.660 -13.313 1.00 0.00 N ATOM 2 CA ALA A 1 -18.776 0.592 -13.301 1.00 0.00 C ATOM 3 C ALA A 1 -18.147 0.826 -11.932 1.00 0.00 C ATOM 4 O ALA A 1 -16.930 0.974 -11.814 1.00 0.00 O ATOM 5 CB ALA A 1 -19.644 1.778 -13.693 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.994 -0.796 -14.256 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.962 -1.468 -13.087 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.336 -0.593 -12.605 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.972 0.487 -14.030 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.044 2.688 -13.680 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.043 1.621 -14.695 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.467 1.876 -12.985 1.00 0.00 H new ATOM 13 N SER A 2 -18.983 0.861 -10.899 1.00 0.00 N ATOM 14 CA SER A 2 -18.509 1.077 -9.538 1.00 0.00 C ATOM 15 C SER A 2 -18.574 -0.211 -8.726 1.00 0.00 C ATOM 16 O SER A 2 -18.805 -1.290 -9.272 1.00 0.00 O ATOM 17 CB SER A 2 -19.337 2.167 -8.854 1.00 0.00 C ATOM 18 OG SER A 2 -18.528 2.977 -8.021 1.00 0.00 O ATOM 0 H SER A 2 -19.993 0.742 -10.980 1.00 0.00 H new ATOM 0 HA SER A 2 -17.469 1.399 -9.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.822 2.787 -9.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.129 1.708 -8.262 1.00 0.00 H new ATOM 0 HG SER A 2 -19.081 3.666 -7.598 1.00 0.00 H new ATOM 24 N MET A 3 -18.369 -0.092 -7.418 1.00 0.00 N ATOM 25 CA MET A 3 -18.405 -1.247 -6.528 1.00 0.00 C ATOM 26 C MET A 3 -18.221 -0.815 -5.077 1.00 0.00 C ATOM 27 O MET A 3 -19.110 -1.000 -4.245 1.00 0.00 O ATOM 28 CB MET A 3 -17.318 -2.252 -6.919 1.00 0.00 C ATOM 29 CG MET A 3 -17.862 -3.511 -7.575 1.00 0.00 C ATOM 30 SD MET A 3 -18.382 -4.750 -6.375 1.00 0.00 S ATOM 31 CE MET A 3 -19.855 -3.979 -5.709 1.00 0.00 C ATOM 0 H MET A 3 -18.176 0.794 -6.951 1.00 0.00 H new ATOM 0 HA MET A 3 -19.380 -1.724 -6.626 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.618 -1.770 -7.601 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.755 -2.531 -6.028 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.708 -3.248 -8.210 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.097 -3.938 -8.224 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.536 -4.749 -5.346 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.580 -3.320 -4.886 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.347 -3.399 -6.490 1.00 0.00 H new ATOM 41 N THR A 4 -17.063 -0.235 -4.780 1.00 0.00 N ATOM 42 CA THR A 4 -16.760 0.228 -3.432 1.00 0.00 C ATOM 43 C THR A 4 -15.943 1.515 -3.473 1.00 0.00 C ATOM 44 O THR A 4 -14.860 1.556 -4.059 1.00 0.00 O ATOM 45 CB THR A 4 -16.003 -0.849 -2.654 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.708 -0.407 -1.341 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.698 -1.253 -3.305 1.00 0.00 C ATOM 0 H THR A 4 -16.317 -0.074 -5.457 1.00 0.00 H new ATOM 0 HA THR A 4 -17.703 0.432 -2.924 1.00 0.00 H new ATOM 0 HB THR A 4 -16.667 -1.713 -2.640 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.988 -1.089 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.212 -2.020 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.895 -1.647 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.045 -0.384 -3.381 1.00 0.00 H new ATOM 55 N ASP A 5 -16.468 2.566 -2.851 1.00 0.00 N ATOM 56 CA ASP A 5 -15.788 3.856 -2.820 1.00 0.00 C ATOM 57 C ASP A 5 -14.682 3.885 -1.765 1.00 0.00 C ATOM 58 O ASP A 5 -14.002 4.897 -1.601 1.00 0.00 O ATOM 59 CB ASP A 5 -16.790 4.977 -2.548 1.00 0.00 C ATOM 60 CG ASP A 5 -17.734 5.204 -3.713 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.292 5.059 -4.872 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.915 5.527 -3.465 1.00 0.00 O ATOM 0 H ASP A 5 -17.363 2.550 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.328 4.008 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.369 4.735 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.250 5.900 -2.336 1.00 0.00 H new ATOM 67 N GLN A 6 -14.501 2.775 -1.052 1.00 0.00 N ATOM 68 CA GLN A 6 -13.472 2.691 -0.020 1.00 0.00 C ATOM 69 C GLN A 6 -12.113 3.113 -0.572 1.00 0.00 C ATOM 70 O GLN A 6 -11.309 3.724 0.131 1.00 0.00 O ATOM 71 CB GLN A 6 -13.390 1.268 0.535 1.00 0.00 C ATOM 72 CG GLN A 6 -12.965 0.236 -0.496 1.00 0.00 C ATOM 73 CD GLN A 6 -13.324 -1.178 -0.089 1.00 0.00 C ATOM 74 OE1 GLN A 6 -14.049 -1.392 0.884 1.00 0.00 O ATOM 75 NE2 GLN A 6 -12.818 -2.156 -0.832 1.00 0.00 N ATOM 0 H GLN A 6 -15.052 1.925 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.745 3.372 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.684 1.251 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.363 0.987 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.438 0.466 -1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.888 0.303 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.222 -1.934 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.026 -3.129 -0.605 1.00 0.00 H new ATOM 84 N GLN A 7 -11.871 2.786 -1.837 1.00 0.00 N ATOM 85 CA GLN A 7 -10.611 3.134 -2.491 1.00 0.00 C ATOM 86 C GLN A 7 -10.529 4.634 -2.759 1.00 0.00 C ATOM 87 O GLN A 7 -9.464 5.159 -3.083 1.00 0.00 O ATOM 88 CB GLN A 7 -10.452 2.373 -3.814 1.00 0.00 C ATOM 89 CG GLN A 7 -11.109 1.000 -3.829 1.00 0.00 C ATOM 90 CD GLN A 7 -10.459 0.056 -4.821 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.549 0.439 -5.556 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.927 -1.186 -4.849 1.00 0.00 N ATOM 0 H GLN A 7 -12.529 2.281 -2.431 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.805 2.849 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.875 2.974 -4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.389 2.257 -4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.057 0.565 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.165 1.109 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.683 -1.460 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.531 -1.866 -5.498 1.00 0.00 H new ATOM 101 N ALA A 8 -11.661 5.320 -2.629 1.00 0.00 N ATOM 102 CA ALA A 8 -11.711 6.755 -2.863 1.00 0.00 C ATOM 103 C ALA A 8 -11.440 7.535 -1.581 1.00 0.00 C ATOM 104 O ALA A 8 -10.586 8.422 -1.552 1.00 0.00 O ATOM 105 CB ALA A 8 -13.061 7.147 -3.446 1.00 0.00 C ATOM 0 H ALA A 8 -12.553 4.904 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.929 7.007 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.085 8.223 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.214 6.627 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.852 6.872 -2.748 1.00 0.00 H new ATOM 111 N GLU A 9 -12.173 7.199 -0.522 1.00 0.00 N ATOM 112 CA GLU A 9 -12.010 7.868 0.764 1.00 0.00 C ATOM 113 C GLU A 9 -10.569 7.756 1.246 1.00 0.00 C ATOM 114 O GLU A 9 -9.985 8.728 1.720 1.00 0.00 O ATOM 115 CB GLU A 9 -12.958 7.266 1.803 1.00 0.00 C ATOM 116 CG GLU A 9 -14.370 7.046 1.284 1.00 0.00 C ATOM 117 CD GLU A 9 -15.425 7.662 2.183 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.400 8.897 2.368 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.276 6.909 2.701 1.00 0.00 O ATOM 0 H GLU A 9 -12.885 6.468 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.254 8.922 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.553 6.313 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.997 7.924 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.456 7.472 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.556 5.976 1.192 1.00 0.00 H new ATOM 126 N ALA A 10 -10.007 6.559 1.112 1.00 0.00 N ATOM 127 CA ALA A 10 -8.634 6.292 1.520 1.00 0.00 C ATOM 128 C ALA A 10 -7.694 7.423 1.109 1.00 0.00 C ATOM 129 O ALA A 10 -7.050 8.046 1.953 1.00 0.00 O ATOM 130 CB ALA A 10 -8.175 4.977 0.916 1.00 0.00 C ATOM 0 H ALA A 10 -10.489 5.750 0.719 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.606 6.226 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.148 4.776 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.821 4.171 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.226 5.038 -0.171 1.00 0.00 H new ATOM 136 N ARG A 11 -7.623 7.685 -0.193 1.00 0.00 N ATOM 137 CA ARG A 11 -6.763 8.744 -0.715 1.00 0.00 C ATOM 138 C ARG A 11 -7.024 10.061 0.012 1.00 0.00 C ATOM 139 O ARG A 11 -6.143 10.916 0.108 1.00 0.00 O ATOM 140 CB ARG A 11 -6.989 8.919 -2.219 1.00 0.00 C ATOM 141 CG ARG A 11 -5.797 8.503 -3.064 1.00 0.00 C ATOM 142 CD ARG A 11 -5.981 8.895 -4.522 1.00 0.00 C ATOM 143 NE ARG A 11 -6.043 10.344 -4.696 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.863 10.960 -5.862 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.609 10.256 -6.959 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.936 12.281 -5.933 1.00 0.00 N ATOM 0 H ARG A 11 -8.150 7.180 -0.906 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.726 8.456 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.858 8.333 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.223 9.964 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.893 8.969 -2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.657 7.424 -2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.157 8.494 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.896 8.444 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.236 10.918 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.551 9.239 -6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.472 10.732 -7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.130 12.827 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.798 12.752 -6.827 1.00 0.00 H new ATOM 160 N ALA A 12 -8.240 10.214 0.526 1.00 0.00 N ATOM 161 CA ALA A 12 -8.620 11.420 1.250 1.00 0.00 C ATOM 162 C ALA A 12 -8.391 11.256 2.750 1.00 0.00 C ATOM 163 O ALA A 12 -8.246 12.240 3.474 1.00 0.00 O ATOM 164 CB ALA A 12 -10.076 11.763 0.971 1.00 0.00 C ATOM 0 H ALA A 12 -8.980 9.516 0.454 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.990 12.238 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.348 12.666 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.212 11.931 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.712 10.938 1.293 1.00 0.00 H new ATOM 170 N PHE A 13 -8.358 10.008 3.211 1.00 0.00 N ATOM 171 CA PHE A 13 -8.147 9.724 4.626 1.00 0.00 C ATOM 172 C PHE A 13 -6.740 10.123 5.058 1.00 0.00 C ATOM 173 O PHE A 13 -6.496 10.394 6.234 1.00 0.00 O ATOM 174 CB PHE A 13 -8.379 8.237 4.909 1.00 0.00 C ATOM 175 CG PHE A 13 -9.683 7.955 5.600 1.00 0.00 C ATOM 176 CD1 PHE A 13 -10.034 8.643 6.751 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.556 7.004 5.100 1.00 0.00 C ATOM 178 CE1 PHE A 13 -11.231 8.386 7.390 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.756 6.743 5.734 1.00 0.00 C ATOM 180 CZ PHE A 13 -12.094 7.435 6.880 1.00 0.00 C ATOM 0 H PHE A 13 -8.474 9.180 2.626 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.863 10.312 5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.349 7.687 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.562 7.861 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.364 9.389 7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.296 6.460 4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.492 8.928 8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.428 5.999 5.334 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.031 7.233 7.377 1.00 0.00 H new ATOM 190 N LEU A 14 -5.816 10.156 4.103 1.00 0.00 N ATOM 191 CA LEU A 14 -4.433 10.519 4.389 1.00 0.00 C ATOM 192 C LEU A 14 -4.071 11.849 3.737 1.00 0.00 C ATOM 193 O LEU A 14 -4.853 12.411 2.970 1.00 0.00 O ATOM 194 CB LEU A 14 -3.485 9.424 3.896 1.00 0.00 C ATOM 195 CG LEU A 14 -3.989 7.995 4.095 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.238 7.033 3.187 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.849 7.580 5.550 1.00 0.00 C ATOM 0 H LEU A 14 -6.000 9.936 3.124 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.329 10.624 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.294 9.581 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.531 9.532 4.411 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.046 7.961 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.610 6.020 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.391 7.320 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.174 7.068 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.213 6.560 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.800 7.630 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.434 8.252 6.178 1.00 0.00 H new ATOM 209 N SER A 15 -2.876 12.343 4.045 1.00 0.00 N ATOM 210 CA SER A 15 -2.401 13.603 3.487 1.00 0.00 C ATOM 211 C SER A 15 -1.649 13.364 2.186 1.00 0.00 C ATOM 212 O SER A 15 -1.230 12.242 1.900 1.00 0.00 O ATOM 213 CB SER A 15 -1.485 14.315 4.487 1.00 0.00 C ATOM 214 OG SER A 15 -1.656 15.720 4.424 1.00 0.00 O ATOM 0 H SER A 15 -2.219 11.889 4.679 1.00 0.00 H new ATOM 0 HA SER A 15 -3.267 14.232 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.701 13.964 5.496 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.446 14.062 4.277 1.00 0.00 H new ATOM 0 HG SER A 15 -1.062 16.151 5.073 1.00 0.00 H new ATOM 220 N GLU A 16 -1.463 14.425 1.403 1.00 0.00 N ATOM 221 CA GLU A 16 -0.739 14.317 0.140 1.00 0.00 C ATOM 222 C GLU A 16 0.589 13.598 0.357 1.00 0.00 C ATOM 223 O GLU A 16 1.116 12.946 -0.545 1.00 0.00 O ATOM 224 CB GLU A 16 -0.498 15.705 -0.458 1.00 0.00 C ATOM 225 CG GLU A 16 -0.809 15.788 -1.943 1.00 0.00 C ATOM 226 CD GLU A 16 0.298 15.214 -2.805 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.481 15.491 -2.515 1.00 0.00 O ATOM 228 OE2 GLU A 16 -0.017 14.485 -3.769 1.00 0.00 O ATOM 0 H GLU A 16 -1.801 15.363 1.619 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.343 13.739 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.110 16.433 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.543 15.986 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.737 15.253 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.975 16.830 -2.218 1.00 0.00 H new ATOM 235 N GLU A 17 1.116 13.719 1.572 1.00 0.00 N ATOM 236 CA GLU A 17 2.373 13.082 1.938 1.00 0.00 C ATOM 237 C GLU A 17 2.268 11.567 1.801 1.00 0.00 C ATOM 238 O GLU A 17 3.043 10.942 1.077 1.00 0.00 O ATOM 239 CB GLU A 17 2.741 13.451 3.377 1.00 0.00 C ATOM 240 CG GLU A 17 3.676 14.645 3.478 1.00 0.00 C ATOM 241 CD GLU A 17 3.045 15.925 2.962 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.963 16.297 3.464 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.633 16.554 2.059 1.00 0.00 O ATOM 0 H GLU A 17 0.686 14.258 2.324 1.00 0.00 H new ATOM 0 HA GLU A 17 3.152 13.437 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.828 13.666 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.210 12.591 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.972 14.783 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.585 14.439 2.913 1.00 0.00 H new ATOM 250 N MET A 18 1.300 10.983 2.503 1.00 0.00 N ATOM 251 CA MET A 18 1.088 9.541 2.463 1.00 0.00 C ATOM 252 C MET A 18 0.789 9.066 1.042 1.00 0.00 C ATOM 253 O MET A 18 0.954 7.889 0.726 1.00 0.00 O ATOM 254 CB MET A 18 -0.058 9.147 3.400 1.00 0.00 C ATOM 255 CG MET A 18 0.216 7.884 4.204 1.00 0.00 C ATOM 256 SD MET A 18 1.202 8.198 5.683 1.00 0.00 S ATOM 257 CE MET A 18 0.723 6.815 6.717 1.00 0.00 C ATOM 0 H MET A 18 0.650 11.488 3.106 1.00 0.00 H new ATOM 0 HA MET A 18 2.006 9.057 2.797 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.252 9.970 4.088 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.964 9.003 2.811 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.732 7.430 4.494 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.735 7.162 3.573 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.493 6.638 7.467 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.221 7.041 7.213 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.605 5.924 6.101 1.00 0.00 H new ATOM 267 N ILE A 19 0.354 9.989 0.185 1.00 0.00 N ATOM 268 CA ILE A 19 0.042 9.657 -1.201 1.00 0.00 C ATOM 269 C ILE A 19 1.305 9.662 -2.054 1.00 0.00 C ATOM 270 O ILE A 19 1.717 8.629 -2.578 1.00 0.00 O ATOM 271 CB ILE A 19 -0.987 10.641 -1.802 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.373 10.387 -1.207 1.00 0.00 C ATOM 273 CG2 ILE A 19 -1.028 10.522 -3.322 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.392 11.444 -1.576 1.00 0.00 C ATOM 0 H ILE A 19 0.211 10.969 0.427 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.392 8.657 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.679 11.656 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.732 9.415 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.290 10.337 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.759 11.224 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.044 10.750 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.310 9.506 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.351 11.200 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.055 12.416 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.504 11.479 -2.660 1.00 0.00 H new ATOM 286 N ALA A 20 1.921 10.833 -2.186 1.00 0.00 N ATOM 287 CA ALA A 20 3.141 10.972 -2.972 1.00 0.00 C ATOM 288 C ALA A 20 4.158 9.892 -2.607 1.00 0.00 C ATOM 289 O ALA A 20 5.013 9.530 -3.416 1.00 0.00 O ATOM 290 CB ALA A 20 3.734 12.356 -2.768 1.00 0.00 C ATOM 0 H ALA A 20 1.594 11.699 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 20 2.888 10.847 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.645 12.452 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.014 13.111 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.968 12.500 -1.713 1.00 0.00 H new ATOM 296 N GLU A 21 4.049 9.377 -1.387 1.00 0.00 N ATOM 297 CA GLU A 21 4.941 8.334 -0.909 1.00 0.00 C ATOM 298 C GLU A 21 4.370 6.958 -1.241 1.00 0.00 C ATOM 299 O GLU A 21 5.113 6.007 -1.480 1.00 0.00 O ATOM 300 CB GLU A 21 5.149 8.475 0.600 1.00 0.00 C ATOM 301 CG GLU A 21 5.831 9.775 0.998 1.00 0.00 C ATOM 302 CD GLU A 21 5.472 10.216 2.402 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.667 9.418 3.344 1.00 0.00 O ATOM 304 OE2 GLU A 21 4.995 11.359 2.562 1.00 0.00 O ATOM 0 H GLU A 21 3.345 9.670 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 21 5.905 8.438 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.182 8.413 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.747 7.636 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.911 9.651 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.552 10.558 0.293 1.00 0.00 H new ATOM 311 N PHE A 22 3.041 6.868 -1.271 1.00 0.00 N ATOM 312 CA PHE A 22 2.364 5.617 -1.593 1.00 0.00 C ATOM 313 C PHE A 22 2.745 5.168 -3.000 1.00 0.00 C ATOM 314 O PHE A 22 2.839 3.973 -3.282 1.00 0.00 O ATOM 315 CB PHE A 22 0.838 5.793 -1.460 1.00 0.00 C ATOM 316 CG PHE A 22 0.047 5.490 -2.709 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.150 6.300 -3.830 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.803 4.396 -2.757 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.578 6.025 -4.972 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.534 4.118 -3.897 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.422 4.933 -5.005 1.00 0.00 C ATOM 0 H PHE A 22 2.413 7.648 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 22 2.678 4.844 -0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.482 5.147 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.631 6.820 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.807 7.157 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.895 3.753 -1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.487 6.664 -5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.193 3.263 -3.920 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.993 4.717 -5.896 1.00 0.00 H new ATOM 331 N LYS A 23 2.968 6.143 -3.874 1.00 0.00 N ATOM 332 CA LYS A 23 3.347 5.868 -5.252 1.00 0.00 C ATOM 333 C LYS A 23 4.824 5.483 -5.342 1.00 0.00 C ATOM 334 O LYS A 23 5.287 5.003 -6.377 1.00 0.00 O ATOM 335 CB LYS A 23 3.068 7.093 -6.127 1.00 0.00 C ATOM 336 CG LYS A 23 2.976 6.771 -7.609 1.00 0.00 C ATOM 337 CD LYS A 23 1.675 6.062 -7.946 1.00 0.00 C ATOM 338 CE LYS A 23 1.624 5.659 -9.411 1.00 0.00 C ATOM 339 NZ LYS A 23 1.216 6.793 -10.286 1.00 0.00 N ATOM 0 H LYS A 23 2.892 7.135 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 23 2.751 5.029 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.135 7.555 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.858 7.828 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.050 7.692 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.819 6.144 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.569 5.176 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.833 6.716 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.603 5.295 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.923 4.834 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.883 6.424 -11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.449 7.326 -9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.030 7.421 -10.442 1.00 0.00 H new ATOM 353 N ALA A 24 5.560 5.704 -4.252 1.00 0.00 N ATOM 354 CA ALA A 24 6.986 5.388 -4.203 1.00 0.00 C ATOM 355 C ALA A 24 7.296 4.016 -4.804 1.00 0.00 C ATOM 356 O ALA A 24 7.768 3.916 -5.937 1.00 0.00 O ATOM 357 CB ALA A 24 7.487 5.449 -2.767 1.00 0.00 C ATOM 0 H ALA A 24 5.189 6.102 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 24 7.503 6.135 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.551 5.212 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.329 6.451 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.940 4.727 -2.160 1.00 0.00 H new ATOM 363 N ALA A 25 7.043 2.966 -4.029 1.00 0.00 N ATOM 364 CA ALA A 25 7.309 1.601 -4.470 1.00 0.00 C ATOM 365 C ALA A 25 6.346 1.150 -5.566 1.00 0.00 C ATOM 366 O ALA A 25 6.515 0.072 -6.136 1.00 0.00 O ATOM 367 CB ALA A 25 7.243 0.649 -3.286 1.00 0.00 C ATOM 0 H ALA A 25 6.653 3.035 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 25 8.312 1.584 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.443 -0.368 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.989 0.938 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.250 0.694 -2.838 1.00 0.00 H new ATOM 373 N PHE A 26 5.334 1.965 -5.857 1.00 0.00 N ATOM 374 CA PHE A 26 4.349 1.629 -6.885 1.00 0.00 C ATOM 375 C PHE A 26 5.018 1.102 -8.154 1.00 0.00 C ATOM 376 O PHE A 26 4.433 0.307 -8.889 1.00 0.00 O ATOM 377 CB PHE A 26 3.493 2.851 -7.217 1.00 0.00 C ATOM 378 CG PHE A 26 2.274 2.527 -8.035 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.362 2.388 -9.410 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.041 2.360 -7.425 1.00 0.00 C ATOM 381 CE1 PHE A 26 1.243 2.090 -10.164 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.082 2.062 -8.173 1.00 0.00 C ATOM 383 CZ PHE A 26 0.019 1.927 -9.545 1.00 0.00 C ATOM 0 H PHE A 26 5.174 2.861 -5.397 1.00 0.00 H new ATOM 0 HA PHE A 26 3.713 0.839 -6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.181 3.329 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.102 3.575 -7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.317 2.514 -9.899 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.957 2.464 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.325 1.985 -11.236 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.038 1.935 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.857 1.695 -10.132 1.00 0.00 H new ATOM 393 N ASP A 27 6.244 1.550 -8.405 1.00 0.00 N ATOM 394 CA ASP A 27 6.987 1.119 -9.585 1.00 0.00 C ATOM 395 C ASP A 27 7.672 -0.222 -9.339 1.00 0.00 C ATOM 396 O ASP A 27 7.409 -1.201 -10.037 1.00 0.00 O ATOM 397 CB ASP A 27 8.025 2.174 -9.972 1.00 0.00 C ATOM 398 CG ASP A 27 8.145 2.342 -11.474 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.222 1.317 -12.182 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.163 3.501 -11.942 1.00 0.00 O ATOM 0 H ASP A 27 6.744 2.210 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 27 6.279 0.998 -10.405 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.753 3.129 -9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.995 1.893 -9.562 1.00 0.00 H new ATOM 405 N MET A 28 8.552 -0.259 -8.343 1.00 0.00 N ATOM 406 CA MET A 28 9.275 -1.481 -8.006 1.00 0.00 C ATOM 407 C MET A 28 8.309 -2.606 -7.646 1.00 0.00 C ATOM 408 O MET A 28 8.609 -3.783 -7.845 1.00 0.00 O ATOM 409 CB MET A 28 10.236 -1.226 -6.844 1.00 0.00 C ATOM 410 CG MET A 28 11.575 -0.651 -7.277 1.00 0.00 C ATOM 411 SD MET A 28 12.954 -1.303 -6.315 1.00 0.00 S ATOM 412 CE MET A 28 14.083 0.086 -6.359 1.00 0.00 C ATOM 0 H MET A 28 8.782 0.543 -7.755 1.00 0.00 H new ATOM 0 HA MET A 28 9.848 -1.787 -8.882 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.766 -0.540 -6.139 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.407 -2.162 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.737 -0.871 -8.332 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.549 0.434 -7.178 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.491 0.255 -5.362 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.896 -0.128 -7.052 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.550 0.978 -6.689 1.00 0.00 H new ATOM 422 N PHE A 29 7.148 -2.235 -7.116 1.00 0.00 N ATOM 423 CA PHE A 29 6.134 -3.209 -6.727 1.00 0.00 C ATOM 424 C PHE A 29 5.762 -4.106 -7.904 1.00 0.00 C ATOM 425 O PHE A 29 6.114 -5.285 -7.937 1.00 0.00 O ATOM 426 CB PHE A 29 4.886 -2.492 -6.207 1.00 0.00 C ATOM 427 CG PHE A 29 4.726 -2.566 -4.716 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.504 -3.781 -4.091 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.798 -1.421 -3.939 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.355 -3.852 -2.720 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.649 -1.486 -2.568 1.00 0.00 C ATOM 432 CZ PHE A 29 4.427 -2.704 -1.957 1.00 0.00 C ATOM 0 H PHE A 29 6.885 -1.264 -6.946 1.00 0.00 H new ATOM 0 HA PHE A 29 6.548 -3.832 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.927 -1.445 -6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.005 -2.925 -6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.447 -4.683 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.973 -0.466 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.182 -4.806 -2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.706 -0.586 -1.974 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.310 -2.758 -0.885 1.00 0.00 H new ATOM 442 N ASP A 30 5.044 -3.536 -8.868 1.00 0.00 N ATOM 443 CA ASP A 30 4.618 -4.278 -10.048 1.00 0.00 C ATOM 444 C ASP A 30 5.812 -4.875 -10.783 1.00 0.00 C ATOM 445 O ASP A 30 6.694 -4.153 -11.250 1.00 0.00 O ATOM 446 CB ASP A 30 3.830 -3.371 -10.992 1.00 0.00 C ATOM 447 CG ASP A 30 2.445 -3.052 -10.463 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.583 -3.957 -10.472 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.222 -1.898 -10.041 1.00 0.00 O ATOM 0 H ASP A 30 4.745 -2.561 -8.854 1.00 0.00 H new ATOM 0 HA ASP A 30 3.976 -5.093 -9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.381 -2.443 -11.144 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.742 -3.853 -11.966 1.00 0.00 H new ATOM 454 N ALA A 31 5.829 -6.197 -10.884 1.00 0.00 N ATOM 455 CA ALA A 31 6.907 -6.901 -11.565 1.00 0.00 C ATOM 456 C ALA A 31 6.538 -7.187 -13.016 1.00 0.00 C ATOM 457 O ALA A 31 7.329 -6.949 -13.929 1.00 0.00 O ATOM 458 CB ALA A 31 7.231 -8.196 -10.839 1.00 0.00 C ATOM 0 H ALA A 31 5.105 -6.806 -10.501 1.00 0.00 H new ATOM 0 HA ALA A 31 7.790 -6.262 -11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.038 -8.712 -11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.541 -7.973 -9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.347 -8.833 -10.819 1.00 0.00 H new ATOM 464 N ASP A 32 5.328 -7.698 -13.219 1.00 0.00 N ATOM 465 CA ASP A 32 4.846 -8.016 -14.557 1.00 0.00 C ATOM 466 C ASP A 32 4.491 -6.745 -15.324 1.00 0.00 C ATOM 467 O ASP A 32 4.407 -6.753 -16.552 1.00 0.00 O ATOM 468 CB ASP A 32 3.625 -8.934 -14.476 1.00 0.00 C ATOM 469 CG ASP A 32 2.528 -8.359 -13.602 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.844 -7.872 -12.496 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.353 -8.397 -14.023 1.00 0.00 O ATOM 0 H ASP A 32 4.663 -7.901 -12.473 1.00 0.00 H new ATOM 0 HA ASP A 32 5.645 -8.530 -15.092 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.235 -9.105 -15.479 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.928 -9.904 -14.083 1.00 0.00 H new ATOM 476 N GLY A 33 4.281 -5.654 -14.593 1.00 0.00 N ATOM 477 CA GLY A 33 3.937 -4.393 -15.225 1.00 0.00 C ATOM 478 C GLY A 33 2.784 -3.691 -14.533 1.00 0.00 C ATOM 479 O GLY A 33 2.993 -2.758 -13.759 1.00 0.00 O ATOM 0 H GLY A 33 4.343 -5.621 -13.575 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.809 -3.740 -15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.675 -4.573 -16.268 1.00 0.00 H new ATOM 483 N GLY A 34 1.565 -4.141 -14.813 1.00 0.00 N ATOM 484 CA GLY A 34 0.395 -3.537 -14.205 1.00 0.00 C ATOM 485 C GLY A 34 -0.623 -4.567 -13.755 1.00 0.00 C ATOM 486 O GLY A 34 -1.802 -4.471 -14.093 1.00 0.00 O ATOM 0 H GLY A 34 1.367 -4.913 -15.450 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.703 -2.937 -13.349 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.071 -2.858 -14.918 1.00 0.00 H new ATOM 490 N GLY A 35 -0.167 -5.552 -12.989 1.00 0.00 N ATOM 491 CA GLY A 35 -1.059 -6.588 -12.503 1.00 0.00 C ATOM 492 C GLY A 35 -1.318 -6.475 -11.014 1.00 0.00 C ATOM 493 O GLY A 35 -1.422 -7.484 -10.316 1.00 0.00 O ATOM 0 H GLY A 35 0.805 -5.651 -12.696 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.006 -6.529 -13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.629 -7.566 -12.721 1.00 0.00 H new ATOM 497 N ASP A 36 -1.421 -5.243 -10.526 1.00 0.00 N ATOM 498 CA ASP A 36 -1.666 -4.997 -9.110 1.00 0.00 C ATOM 499 C ASP A 36 -0.565 -5.609 -8.252 1.00 0.00 C ATOM 500 O ASP A 36 0.402 -6.166 -8.771 1.00 0.00 O ATOM 501 CB ASP A 36 -3.025 -5.566 -8.697 1.00 0.00 C ATOM 502 CG ASP A 36 -4.180 -4.703 -9.168 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.939 -3.530 -9.521 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.325 -5.201 -9.182 1.00 0.00 O ATOM 0 H ASP A 36 -1.338 -4.398 -11.092 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.669 -3.919 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.135 -6.570 -9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.063 -5.658 -7.612 1.00 0.00 H new ATOM 509 N ILE A 37 -0.718 -5.498 -6.937 1.00 0.00 N ATOM 510 CA ILE A 37 0.265 -6.036 -6.006 1.00 0.00 C ATOM 511 C ILE A 37 -0.287 -7.244 -5.253 1.00 0.00 C ATOM 512 O ILE A 37 -1.371 -7.187 -4.672 1.00 0.00 O ATOM 513 CB ILE A 37 0.712 -4.958 -4.996 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.545 -3.889 -5.703 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.496 -5.574 -3.846 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.744 -2.639 -4.876 1.00 0.00 C ATOM 0 H ILE A 37 -1.514 -5.040 -6.492 1.00 0.00 H new ATOM 0 HA ILE A 37 1.126 -6.355 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.180 -4.491 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.519 -4.307 -5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.059 -3.622 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.798 -4.791 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.870 -6.299 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.383 -6.074 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.343 -1.923 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.775 -2.198 -4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.258 -2.894 -3.949 1.00 0.00 H new ATOM 528 N SER A 38 0.475 -8.333 -5.263 1.00 0.00 N ATOM 529 CA SER A 38 0.077 -9.556 -4.575 1.00 0.00 C ATOM 530 C SER A 38 0.821 -9.689 -3.248 1.00 0.00 C ATOM 531 O SER A 38 1.380 -8.716 -2.741 1.00 0.00 O ATOM 532 CB SER A 38 0.355 -10.774 -5.460 1.00 0.00 C ATOM 533 OG SER A 38 -0.228 -11.944 -4.912 1.00 0.00 O ATOM 0 H SER A 38 1.374 -8.393 -5.741 1.00 0.00 H new ATOM 0 HA SER A 38 -0.992 -9.506 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.042 -10.600 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.431 -10.914 -5.564 1.00 0.00 H new ATOM 0 HG SER A 38 -0.038 -12.708 -5.496 1.00 0.00 H new ATOM 539 N THR A 39 0.827 -10.895 -2.688 1.00 0.00 N ATOM 540 CA THR A 39 1.504 -11.143 -1.419 1.00 0.00 C ATOM 541 C THR A 39 3.019 -11.151 -1.601 1.00 0.00 C ATOM 542 O THR A 39 3.757 -10.654 -0.750 1.00 0.00 O ATOM 543 CB THR A 39 1.045 -12.475 -0.823 1.00 0.00 C ATOM 544 OG1 THR A 39 1.072 -13.499 -1.801 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.354 -12.424 -0.251 1.00 0.00 C ATOM 0 H THR A 39 0.372 -11.714 -3.091 1.00 0.00 H new ATOM 0 HA THR A 39 1.242 -10.336 -0.734 1.00 0.00 H new ATOM 0 HB THR A 39 1.744 -12.684 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.777 -14.343 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.617 -13.401 0.155 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.396 -11.678 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.059 -12.156 -1.038 1.00 0.00 H new ATOM 553 N LYS A 40 3.476 -11.720 -2.711 1.00 0.00 N ATOM 554 CA LYS A 40 4.904 -11.794 -3.001 1.00 0.00 C ATOM 555 C LYS A 40 5.457 -10.426 -3.388 1.00 0.00 C ATOM 556 O LYS A 40 6.623 -10.123 -3.137 1.00 0.00 O ATOM 557 CB LYS A 40 5.165 -12.798 -4.127 1.00 0.00 C ATOM 558 CG LYS A 40 5.384 -14.220 -3.635 1.00 0.00 C ATOM 559 CD LYS A 40 5.180 -15.232 -4.751 1.00 0.00 C ATOM 560 CE LYS A 40 6.339 -15.220 -5.734 1.00 0.00 C ATOM 561 NZ LYS A 40 6.344 -16.427 -6.604 1.00 0.00 N ATOM 0 H LYS A 40 2.879 -12.137 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 40 5.414 -12.128 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.320 -12.787 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.041 -12.479 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.393 -14.316 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.695 -14.434 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.074 -16.229 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.252 -15.011 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.279 -14.326 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.279 -15.165 -5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.150 -16.379 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.427 -17.280 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.458 -16.467 -7.147 1.00 0.00 H new ATOM 575 N GLU A 41 4.613 -9.605 -4.004 1.00 0.00 N ATOM 576 CA GLU A 41 5.016 -8.269 -4.431 1.00 0.00 C ATOM 577 C GLU A 41 5.379 -7.394 -3.234 1.00 0.00 C ATOM 578 O GLU A 41 6.177 -6.465 -3.354 1.00 0.00 O ATOM 579 CB GLU A 41 3.896 -7.615 -5.239 1.00 0.00 C ATOM 580 CG GLU A 41 3.855 -8.061 -6.692 1.00 0.00 C ATOM 581 CD GLU A 41 3.863 -6.897 -7.664 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.212 -5.873 -7.370 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.520 -7.012 -8.721 1.00 0.00 O ATOM 0 H GLU A 41 3.644 -9.841 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 41 5.901 -8.367 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.939 -7.844 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.018 -6.532 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.712 -8.703 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.960 -8.661 -6.858 1.00 0.00 H new ATOM 590 N LEU A 42 4.789 -7.695 -2.080 1.00 0.00 N ATOM 591 CA LEU A 42 5.056 -6.930 -0.868 1.00 0.00 C ATOM 592 C LEU A 42 6.398 -7.321 -0.261 1.00 0.00 C ATOM 593 O LEU A 42 7.210 -6.461 0.076 1.00 0.00 O ATOM 594 CB LEU A 42 3.935 -7.139 0.153 1.00 0.00 C ATOM 595 CG LEU A 42 3.015 -5.933 0.359 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.813 -4.722 0.821 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.253 -5.617 -0.921 1.00 0.00 C ATOM 0 H LEU A 42 4.126 -8.460 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 42 5.096 -5.875 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.330 -7.989 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.382 -7.404 1.111 1.00 0.00 H new ATOM 0 HG LEU A 42 2.292 -6.182 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.141 -3.875 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.310 -4.952 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.561 -4.470 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.604 -4.757 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.960 -5.390 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.648 -6.478 -1.206 1.00 0.00 H new ATOM 609 N GLY A 43 6.628 -8.623 -0.131 1.00 0.00 N ATOM 610 CA GLY A 43 7.877 -9.102 0.432 1.00 0.00 C ATOM 611 C GLY A 43 9.095 -8.595 -0.320 1.00 0.00 C ATOM 612 O GLY A 43 10.212 -8.663 0.186 1.00 0.00 O ATOM 0 H GLY A 43 5.973 -9.355 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.944 -8.790 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.879 -10.192 0.425 1.00 0.00 H new ATOM 616 N THR A 44 8.883 -8.093 -1.533 1.00 0.00 N ATOM 617 CA THR A 44 9.975 -7.582 -2.352 1.00 0.00 C ATOM 618 C THR A 44 10.470 -6.227 -1.839 1.00 0.00 C ATOM 619 O THR A 44 11.523 -6.133 -1.209 1.00 0.00 O ATOM 620 CB THR A 44 9.514 -7.461 -3.815 1.00 0.00 C ATOM 621 OG1 THR A 44 9.690 -8.691 -4.495 1.00 0.00 O ATOM 622 CG2 THR A 44 10.244 -6.393 -4.608 1.00 0.00 C ATOM 0 H THR A 44 7.964 -8.030 -1.970 1.00 0.00 H new ATOM 0 HA THR A 44 10.806 -8.284 -2.290 1.00 0.00 H new ATOM 0 HB THR A 44 8.463 -7.179 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.390 -8.597 -5.423 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.861 -6.372 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.086 -5.421 -4.141 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.310 -6.618 -4.626 1.00 0.00 H new ATOM 630 N VAL A 45 9.709 -5.183 -2.144 1.00 0.00 N ATOM 631 CA VAL A 45 10.058 -3.822 -1.754 1.00 0.00 C ATOM 632 C VAL A 45 10.168 -3.659 -0.237 1.00 0.00 C ATOM 633 O VAL A 45 11.093 -3.015 0.256 1.00 0.00 O ATOM 634 CB VAL A 45 9.017 -2.823 -2.297 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.623 -3.188 -1.806 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.378 -1.393 -1.912 1.00 0.00 C ATOM 0 H VAL A 45 8.836 -5.255 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 45 11.037 -3.614 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 45 9.021 -2.882 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.900 -2.473 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.366 -4.190 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.603 -3.163 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.627 -0.709 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.412 -1.306 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.354 -1.140 -2.327 1.00 0.00 H new ATOM 646 N MET A 46 9.216 -4.224 0.494 1.00 0.00 N ATOM 647 CA MET A 46 9.208 -4.112 1.949 1.00 0.00 C ATOM 648 C MET A 46 10.457 -4.731 2.575 1.00 0.00 C ATOM 649 O MET A 46 10.874 -4.329 3.661 1.00 0.00 O ATOM 650 CB MET A 46 7.948 -4.762 2.525 1.00 0.00 C ATOM 651 CG MET A 46 6.704 -3.902 2.365 1.00 0.00 C ATOM 652 SD MET A 46 5.649 -3.914 3.827 1.00 0.00 S ATOM 653 CE MET A 46 5.996 -2.296 4.512 1.00 0.00 C ATOM 0 H MET A 46 8.442 -4.763 0.106 1.00 0.00 H new ATOM 0 HA MET A 46 9.209 -3.050 2.196 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.785 -5.721 2.034 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.105 -4.969 3.584 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.003 -2.877 2.147 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.132 -4.256 1.507 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.559 -2.221 5.508 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.074 -2.152 4.577 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.566 -1.529 3.868 1.00 0.00 H new ATOM 663 N ARG A 47 11.050 -5.706 1.894 1.00 0.00 N ATOM 664 CA ARG A 47 12.249 -6.370 2.404 1.00 0.00 C ATOM 665 C ARG A 47 13.502 -5.539 2.144 1.00 0.00 C ATOM 666 O ARG A 47 14.370 -5.420 3.009 1.00 0.00 O ATOM 667 CB ARG A 47 12.411 -7.747 1.760 1.00 0.00 C ATOM 668 CG ARG A 47 11.648 -8.851 2.474 1.00 0.00 C ATOM 669 CD ARG A 47 11.932 -10.210 1.856 1.00 0.00 C ATOM 670 NE ARG A 47 11.094 -11.260 2.432 1.00 0.00 N ATOM 671 CZ ARG A 47 11.370 -12.559 2.347 1.00 0.00 C ATOM 672 NH1 ARG A 47 12.458 -12.973 1.710 1.00 0.00 N ATOM 673 NH2 ARG A 47 10.555 -13.447 2.901 1.00 0.00 N ATOM 0 H ARG A 47 10.724 -6.054 0.992 1.00 0.00 H new ATOM 0 HA ARG A 47 12.126 -6.482 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.074 -7.696 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.470 -8.005 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.925 -8.864 3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.579 -8.645 2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.764 -10.161 0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.982 -10.463 2.003 1.00 0.00 H new ATOM 0 HE ARG A 47 10.248 -10.981 2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.088 -12.294 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.664 -13.970 1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.717 -13.134 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.766 -14.443 2.836 1.00 0.00 H new ATOM 687 N MET A 48 13.596 -4.976 0.945 1.00 0.00 N ATOM 688 CA MET A 48 14.752 -4.167 0.567 1.00 0.00 C ATOM 689 C MET A 48 14.633 -2.728 1.067 1.00 0.00 C ATOM 690 O MET A 48 15.470 -1.886 0.745 1.00 0.00 O ATOM 691 CB MET A 48 14.925 -4.172 -0.954 1.00 0.00 C ATOM 692 CG MET A 48 13.693 -3.696 -1.708 1.00 0.00 C ATOM 693 SD MET A 48 14.088 -2.526 -3.021 1.00 0.00 S ATOM 694 CE MET A 48 12.604 -1.525 -3.031 1.00 0.00 C ATOM 0 H MET A 48 12.887 -5.064 0.217 1.00 0.00 H new ATOM 0 HA MET A 48 15.628 -4.612 1.039 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.770 -3.536 -1.217 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.172 -5.182 -1.280 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.180 -4.557 -2.137 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.001 -3.229 -1.007 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.721 -0.708 -3.744 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.752 -2.140 -3.320 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.434 -1.116 -2.035 1.00 0.00 H new ATOM 704 N LEU A 49 13.596 -2.445 1.849 1.00 0.00 N ATOM 705 CA LEU A 49 13.393 -1.100 2.377 1.00 0.00 C ATOM 706 C LEU A 49 13.578 -1.065 3.891 1.00 0.00 C ATOM 707 O LEU A 49 13.919 -0.027 4.458 1.00 0.00 O ATOM 708 CB LEU A 49 12.001 -0.586 2.004 1.00 0.00 C ATOM 709 CG LEU A 49 11.851 -0.117 0.554 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.496 0.540 0.345 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.973 0.843 0.184 1.00 0.00 C ATOM 0 H LEU A 49 12.888 -3.123 2.130 1.00 0.00 H new ATOM 0 HA LEU A 49 14.144 -0.449 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.276 -1.378 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.746 0.242 2.666 1.00 0.00 H new ATOM 0 HG LEU A 49 11.916 -0.988 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.406 0.867 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.706 -0.177 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.403 1.401 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.850 1.166 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.940 1.712 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.934 0.340 0.295 1.00 0.00 H new ATOM 723 N GLY A 50 13.355 -2.203 4.544 1.00 0.00 N ATOM 724 CA GLY A 50 13.510 -2.267 5.986 1.00 0.00 C ATOM 725 C GLY A 50 12.501 -3.188 6.644 1.00 0.00 C ATOM 726 O GLY A 50 12.830 -3.898 7.594 1.00 0.00 O ATOM 0 H GLY A 50 13.071 -3.077 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.517 -2.609 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.407 -1.265 6.403 1.00 0.00 H new ATOM 730 N GLN A 51 11.272 -3.178 6.142 1.00 0.00 N ATOM 731 CA GLN A 51 10.216 -4.019 6.694 1.00 0.00 C ATOM 732 C GLN A 51 10.501 -5.493 6.425 1.00 0.00 C ATOM 733 O GLN A 51 11.256 -5.834 5.515 1.00 0.00 O ATOM 734 CB GLN A 51 8.860 -3.628 6.099 1.00 0.00 C ATOM 735 CG GLN A 51 7.791 -3.367 7.147 1.00 0.00 C ATOM 736 CD GLN A 51 7.707 -1.906 7.543 1.00 0.00 C ATOM 737 OE1 GLN A 51 7.235 -1.068 6.775 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.168 -1.592 8.749 1.00 0.00 N ATOM 0 H GLN A 51 10.982 -2.598 5.355 1.00 0.00 H new ATOM 0 HA GLN A 51 10.187 -3.865 7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.984 -2.734 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.520 -4.423 5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.824 -3.692 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.001 -3.968 8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.551 -2.319 9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.139 -0.624 9.070 1.00 0.00 H new ATOM 747 N ASN A 52 9.895 -6.364 7.223 1.00 0.00 N ATOM 748 CA ASN A 52 10.092 -7.800 7.065 1.00 0.00 C ATOM 749 C ASN A 52 8.809 -8.570 7.372 1.00 0.00 C ATOM 750 O ASN A 52 8.809 -9.497 8.182 1.00 0.00 O ATOM 751 CB ASN A 52 11.218 -8.282 7.975 1.00 0.00 C ATOM 752 CG ASN A 52 12.557 -7.668 7.614 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.900 -6.581 8.077 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.321 -8.364 6.779 1.00 0.00 N ATOM 0 H ASN A 52 9.266 -6.103 7.982 1.00 0.00 H new ATOM 0 HA ASN A 52 10.364 -7.989 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.976 -8.037 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.291 -9.368 7.914 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.232 -8.001 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.997 -9.262 6.419 1.00 0.00 H new ATOM 761 N PRO A 53 7.696 -8.197 6.722 1.00 0.00 N ATOM 762 CA PRO A 53 6.405 -8.859 6.925 1.00 0.00 C ATOM 763 C PRO A 53 6.377 -10.260 6.323 1.00 0.00 C ATOM 764 O PRO A 53 6.370 -10.422 5.103 1.00 0.00 O ATOM 765 CB PRO A 53 5.420 -7.945 6.196 1.00 0.00 C ATOM 766 CG PRO A 53 6.238 -7.279 5.144 1.00 0.00 C ATOM 767 CD PRO A 53 7.610 -7.105 5.735 1.00 0.00 C ATOM 0 HA PRO A 53 6.176 -8.996 7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.599 -8.514 5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.977 -7.216 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.277 -7.884 4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.808 -6.317 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.388 -7.187 4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.724 -6.128 6.205 1.00 0.00 H new ATOM 775 N THR A 54 6.363 -11.271 7.187 1.00 0.00 N ATOM 776 CA THR A 54 6.340 -12.661 6.739 1.00 0.00 C ATOM 777 C THR A 54 5.170 -12.911 5.792 1.00 0.00 C ATOM 778 O THR A 54 4.387 -12.006 5.505 1.00 0.00 O ATOM 779 CB THR A 54 6.247 -13.603 7.941 1.00 0.00 C ATOM 780 OG1 THR A 54 5.132 -13.274 8.751 1.00 0.00 O ATOM 781 CG2 THR A 54 7.478 -13.574 8.821 1.00 0.00 C ATOM 0 H THR A 54 6.367 -11.155 8.200 1.00 0.00 H new ATOM 0 HA THR A 54 7.267 -12.858 6.200 1.00 0.00 H new ATOM 0 HB THR A 54 6.146 -14.602 7.517 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.089 -13.888 9.513 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.346 -14.264 9.654 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.349 -13.872 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.626 -12.565 9.206 1.00 0.00 H new ATOM 789 N LYS A 55 5.059 -14.146 5.308 1.00 0.00 N ATOM 790 CA LYS A 55 3.984 -14.514 4.393 1.00 0.00 C ATOM 791 C LYS A 55 2.620 -14.206 5.003 1.00 0.00 C ATOM 792 O LYS A 55 1.826 -13.462 4.428 1.00 0.00 O ATOM 793 CB LYS A 55 4.076 -15.999 4.037 1.00 0.00 C ATOM 794 CG LYS A 55 4.780 -16.265 2.716 1.00 0.00 C ATOM 795 CD LYS A 55 3.800 -16.265 1.553 1.00 0.00 C ATOM 796 CE LYS A 55 3.600 -14.867 0.990 1.00 0.00 C ATOM 797 NZ LYS A 55 3.646 -14.857 -0.498 1.00 0.00 N ATOM 0 H LYS A 55 5.700 -14.907 5.534 1.00 0.00 H new ATOM 0 HA LYS A 55 4.095 -13.923 3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.605 -16.523 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.070 -16.417 3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.544 -15.505 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.292 -17.226 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.167 -16.925 0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.842 -16.665 1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.641 -14.474 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.371 -14.204 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.430 -14.253 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.791 -15.826 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.749 -14.485 -0.871 1.00 0.00 H new ATOM 811 N CYS A 56 2.358 -14.780 6.172 1.00 0.00 N ATOM 812 CA CYS A 56 1.092 -14.563 6.862 1.00 0.00 C ATOM 813 C CYS A 56 0.898 -13.084 7.182 1.00 0.00 C ATOM 814 O CYS A 56 -0.230 -12.597 7.253 1.00 0.00 O ATOM 815 CB CYS A 56 1.039 -15.387 8.150 1.00 0.00 C ATOM 816 SG CYS A 56 0.568 -17.116 7.899 1.00 0.00 S ATOM 0 H CYS A 56 3.005 -15.399 6.661 1.00 0.00 H new ATOM 0 HA CYS A 56 0.286 -14.885 6.202 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.017 -15.354 8.631 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.330 -14.924 8.836 1.00 0.00 H new ATOM 0 HG CYS A 56 0.553 -17.732 9.044 1.00 0.00 H new ATOM 822 N GLU A 57 2.007 -12.375 7.375 1.00 0.00 N ATOM 823 CA GLU A 57 1.962 -10.951 7.686 1.00 0.00 C ATOM 824 C GLU A 57 1.241 -10.176 6.588 1.00 0.00 C ATOM 825 O GLU A 57 0.212 -9.546 6.833 1.00 0.00 O ATOM 826 CB GLU A 57 3.379 -10.404 7.867 1.00 0.00 C ATOM 827 CG GLU A 57 3.548 -9.557 9.117 1.00 0.00 C ATOM 828 CD GLU A 57 2.924 -8.182 8.978 1.00 0.00 C ATOM 829 OE1 GLU A 57 3.026 -7.592 7.882 1.00 0.00 O ATOM 830 OE2 GLU A 57 2.333 -7.695 9.964 1.00 0.00 O ATOM 0 H GLU A 57 2.948 -12.765 7.321 1.00 0.00 H new ATOM 0 HA GLU A 57 1.409 -10.825 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.079 -11.238 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.643 -9.806 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.097 -10.073 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.610 -9.449 9.338 1.00 0.00 H new ATOM 837 N LEU A 58 1.787 -10.230 5.377 1.00 0.00 N ATOM 838 CA LEU A 58 1.193 -9.534 4.241 1.00 0.00 C ATOM 839 C LEU A 58 -0.147 -10.158 3.864 1.00 0.00 C ATOM 840 O LEU A 58 -1.043 -9.476 3.370 1.00 0.00 O ATOM 841 CB LEU A 58 2.145 -9.564 3.042 1.00 0.00 C ATOM 842 CG LEU A 58 3.594 -9.175 3.352 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.529 -9.703 2.274 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.728 -7.664 3.482 1.00 0.00 C ATOM 0 H LEU A 58 2.638 -10.747 5.157 1.00 0.00 H new ATOM 0 HA LEU A 58 1.021 -8.497 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.138 -10.568 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.761 -8.891 2.276 1.00 0.00 H new ATOM 0 HG LEU A 58 3.875 -9.626 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.554 -9.418 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.456 -10.790 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.248 -9.280 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.764 -7.408 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.428 -7.190 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.087 -7.310 4.290 1.00 0.00 H new ATOM 856 N ASP A 59 -0.278 -11.460 4.106 1.00 0.00 N ATOM 857 CA ASP A 59 -1.512 -12.176 3.795 1.00 0.00 C ATOM 858 C ASP A 59 -2.644 -11.733 4.709 1.00 0.00 C ATOM 859 O ASP A 59 -3.816 -11.813 4.343 1.00 0.00 O ATOM 860 CB ASP A 59 -1.296 -13.685 3.921 1.00 0.00 C ATOM 861 CG ASP A 59 -2.147 -14.472 2.943 1.00 0.00 C ATOM 862 OD1 ASP A 59 -3.387 -14.476 3.104 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.576 -15.085 2.018 1.00 0.00 O ATOM 0 H ASP A 59 0.454 -12.040 4.516 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.789 -11.941 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.244 -13.915 3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.530 -14.000 4.938 1.00 0.00 H new ATOM 868 N ALA A 60 -2.292 -11.264 5.899 1.00 0.00 N ATOM 869 CA ALA A 60 -3.290 -10.808 6.852 1.00 0.00 C ATOM 870 C ALA A 60 -3.807 -9.425 6.472 1.00 0.00 C ATOM 871 O ALA A 60 -4.959 -9.086 6.742 1.00 0.00 O ATOM 872 CB ALA A 60 -2.718 -10.798 8.261 1.00 0.00 C ATOM 0 H ALA A 60 -1.328 -11.190 6.224 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.129 -11.503 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.480 -10.454 8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.404 -11.806 8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.860 -10.127 8.300 1.00 0.00 H new ATOM 878 N ILE A 61 -2.949 -8.634 5.835 1.00 0.00 N ATOM 879 CA ILE A 61 -3.322 -7.294 5.408 1.00 0.00 C ATOM 880 C ILE A 61 -4.085 -7.351 4.087 1.00 0.00 C ATOM 881 O ILE A 61 -5.233 -6.915 4.008 1.00 0.00 O ATOM 882 CB ILE A 61 -2.077 -6.385 5.264 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.623 -5.888 6.637 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.362 -5.206 4.344 1.00 0.00 C ATOM 885 CD1 ILE A 61 -1.007 -6.969 7.499 1.00 0.00 C ATOM 0 H ILE A 61 -1.992 -8.900 5.604 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.968 -6.866 6.174 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.277 -6.976 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.898 -5.085 6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.478 -5.461 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.470 -4.585 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.640 -5.574 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.180 -4.614 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.709 -6.544 8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.736 -7.762 7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.132 -7.381 6.996 1.00 0.00 H new ATOM 897 N ILE A 62 -3.440 -7.895 3.052 1.00 0.00 N ATOM 898 CA ILE A 62 -4.059 -8.014 1.732 1.00 0.00 C ATOM 899 C ILE A 62 -5.498 -8.516 1.841 1.00 0.00 C ATOM 900 O ILE A 62 -6.413 -7.941 1.252 1.00 0.00 O ATOM 901 CB ILE A 62 -3.261 -8.965 0.817 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.869 -8.390 0.552 1.00 0.00 C ATOM 903 CG2 ILE A 62 -4.004 -9.201 -0.495 1.00 0.00 C ATOM 904 CD1 ILE A 62 -1.040 -9.227 -0.396 1.00 0.00 C ATOM 0 H ILE A 62 -2.489 -8.260 3.104 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.058 -7.016 1.293 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.153 -9.925 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.972 -7.385 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.338 -8.295 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.424 -9.875 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.977 -9.646 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.143 -8.251 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.066 -8.759 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.906 -10.225 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.550 -9.301 -1.357 1.00 0.00 H new ATOM 916 N CYS A 63 -5.686 -9.589 2.602 1.00 0.00 N ATOM 917 CA CYS A 63 -7.012 -10.166 2.796 1.00 0.00 C ATOM 918 C CYS A 63 -8.022 -9.084 3.171 1.00 0.00 C ATOM 919 O CYS A 63 -9.207 -9.192 2.860 1.00 0.00 O ATOM 920 CB CYS A 63 -6.962 -11.243 3.882 1.00 0.00 C ATOM 921 SG CYS A 63 -8.217 -12.532 3.700 1.00 0.00 S ATOM 0 H CYS A 63 -4.938 -10.077 3.094 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.331 -10.622 1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.976 -11.707 3.874 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.083 -10.768 4.856 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.093 -13.397 4.663 1.00 0.00 H new ATOM 927 N GLU A 64 -7.534 -8.036 3.828 1.00 0.00 N ATOM 928 CA GLU A 64 -8.382 -6.923 4.232 1.00 0.00 C ATOM 929 C GLU A 64 -8.375 -5.840 3.158 1.00 0.00 C ATOM 930 O GLU A 64 -9.377 -5.158 2.941 1.00 0.00 O ATOM 931 CB GLU A 64 -7.906 -6.344 5.565 1.00 0.00 C ATOM 932 CG GLU A 64 -7.987 -7.330 6.720 1.00 0.00 C ATOM 933 CD GLU A 64 -8.133 -6.642 8.063 1.00 0.00 C ATOM 934 OE1 GLU A 64 -9.049 -5.805 8.205 1.00 0.00 O ATOM 935 OE2 GLU A 64 -7.331 -6.940 8.973 1.00 0.00 O ATOM 0 H GLU A 64 -6.554 -7.936 4.092 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.400 -7.291 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.875 -6.007 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.505 -5.466 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.834 -7.998 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.090 -7.949 6.728 1.00 0.00 H new ATOM 942 N VAL A 65 -7.238 -5.695 2.485 1.00 0.00 N ATOM 943 CA VAL A 65 -7.094 -4.705 1.424 1.00 0.00 C ATOM 944 C VAL A 65 -8.023 -5.023 0.260 1.00 0.00 C ATOM 945 O VAL A 65 -8.716 -4.148 -0.258 1.00 0.00 O ATOM 946 CB VAL A 65 -5.649 -4.647 0.894 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.469 -3.456 -0.035 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.652 -4.596 2.043 1.00 0.00 C ATOM 0 H VAL A 65 -6.401 -6.252 2.656 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.355 -3.739 1.857 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.457 -5.556 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.442 -3.431 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.152 -3.547 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.684 -2.535 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.639 -4.556 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.839 -3.709 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.763 -5.487 2.661 1.00 0.00 H new ATOM 958 N ASP A 66 -8.023 -6.287 -0.145 1.00 0.00 N ATOM 959 CA ASP A 66 -8.855 -6.741 -1.251 1.00 0.00 C ATOM 960 C ASP A 66 -10.331 -6.467 -0.981 1.00 0.00 C ATOM 961 O ASP A 66 -11.028 -5.897 -1.821 1.00 0.00 O ATOM 962 CB ASP A 66 -8.636 -8.235 -1.493 1.00 0.00 C ATOM 963 CG ASP A 66 -7.393 -8.506 -2.317 1.00 0.00 C ATOM 964 OD1 ASP A 66 -7.292 -7.959 -3.434 1.00 0.00 O ATOM 965 OD2 ASP A 66 -6.521 -9.265 -1.844 1.00 0.00 O ATOM 0 H ASP A 66 -7.453 -7.019 0.279 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.565 -6.185 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.554 -8.748 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.505 -8.650 -2.003 1.00 0.00 H new ATOM 970 N GLU A 67 -10.802 -6.877 0.191 1.00 0.00 N ATOM 971 CA GLU A 67 -12.197 -6.676 0.563 1.00 0.00 C ATOM 972 C GLU A 67 -13.128 -7.333 -0.452 1.00 0.00 C ATOM 973 O GLU A 67 -14.261 -6.897 -0.646 1.00 0.00 O ATOM 974 CB GLU A 67 -12.508 -5.179 0.668 1.00 0.00 C ATOM 975 CG GLU A 67 -12.739 -4.706 2.094 1.00 0.00 C ATOM 976 CD GLU A 67 -14.211 -4.632 2.451 1.00 0.00 C ATOM 977 OE1 GLU A 67 -14.979 -4.017 1.681 1.00 0.00 O ATOM 978 OE2 GLU A 67 -14.596 -5.188 3.501 1.00 0.00 O ATOM 0 H GLU A 67 -10.240 -7.350 0.899 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.361 -7.142 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.683 -4.613 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.393 -4.957 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.235 -5.383 2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.287 -3.723 2.225 1.00 0.00 H new ATOM 985 N ASP A 68 -12.636 -8.386 -1.101 1.00 0.00 N ATOM 986 CA ASP A 68 -13.420 -9.103 -2.099 1.00 0.00 C ATOM 987 C ASP A 68 -12.928 -10.541 -2.248 1.00 0.00 C ATOM 988 O ASP A 68 -13.725 -11.478 -2.296 1.00 0.00 O ATOM 989 CB ASP A 68 -13.347 -8.382 -3.447 1.00 0.00 C ATOM 990 CG ASP A 68 -11.935 -8.329 -4.000 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.474 -9.352 -4.547 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.290 -7.264 -3.885 1.00 0.00 O ATOM 0 H ASP A 68 -11.699 -8.760 -0.953 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.457 -9.127 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.995 -8.888 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.728 -7.367 -3.334 1.00 0.00 H new ATOM 997 N GLY A 69 -11.610 -10.706 -2.323 1.00 0.00 N ATOM 998 CA GLY A 69 -11.034 -12.031 -2.467 1.00 0.00 C ATOM 999 C GLY A 69 -10.347 -12.219 -3.804 1.00 0.00 C ATOM 1000 O GLY A 69 -10.649 -13.160 -4.540 1.00 0.00 O ATOM 0 H GLY A 69 -10.931 -9.946 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.316 -12.201 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.819 -12.779 -2.356 1.00 0.00 H new ATOM 1004 N SER A 70 -9.424 -11.317 -4.124 1.00 0.00 N ATOM 1005 CA SER A 70 -8.695 -11.383 -5.386 1.00 0.00 C ATOM 1006 C SER A 70 -7.200 -11.580 -5.155 1.00 0.00 C ATOM 1007 O SER A 70 -6.497 -12.114 -6.012 1.00 0.00 O ATOM 1008 CB SER A 70 -8.919 -10.103 -6.194 1.00 0.00 C ATOM 1009 OG SER A 70 -8.983 -8.967 -5.347 1.00 0.00 O ATOM 0 H SER A 70 -9.163 -10.532 -3.527 1.00 0.00 H new ATOM 0 HA SER A 70 -9.075 -12.240 -5.942 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.110 -9.978 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.844 -10.187 -6.765 1.00 0.00 H new ATOM 0 HG SER A 70 -9.921 -8.741 -5.173 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.715 -11.133 -4.001 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.302 -11.257 -3.695 1.00 0.00 C ATOM 1017 C GLY A 71 -4.464 -10.218 -4.420 1.00 0.00 C ATOM 1018 O GLY A 71 -3.239 -10.203 -4.294 1.00 0.00 O ATOM 0 H GLY A 71 -7.274 -10.688 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.155 -11.154 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.959 -12.254 -3.970 1.00 0.00 H new ATOM 1022 N THR A 72 -5.125 -9.347 -5.183 1.00 0.00 N ATOM 1023 CA THR A 72 -4.433 -8.303 -5.928 1.00 0.00 C ATOM 1024 C THR A 72 -4.837 -6.921 -5.425 1.00 0.00 C ATOM 1025 O THR A 72 -6.009 -6.672 -5.138 1.00 0.00 O ATOM 1026 CB THR A 72 -4.740 -8.426 -7.420 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.138 -8.385 -7.649 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.211 -9.702 -8.038 1.00 0.00 C ATOM 0 H THR A 72 -6.138 -9.346 -5.299 1.00 0.00 H new ATOM 0 HA THR A 72 -3.361 -8.428 -5.774 1.00 0.00 H new ATOM 0 HB THR A 72 -4.237 -7.580 -7.889 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.315 -8.463 -8.610 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.464 -9.725 -9.098 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.128 -9.740 -7.922 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.660 -10.561 -7.539 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.859 -6.028 -5.319 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.111 -4.671 -4.847 1.00 0.00 C ATOM 1038 C ILE A 73 -4.214 -3.693 -6.012 1.00 0.00 C ATOM 1039 O ILE A 73 -3.292 -3.570 -6.818 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.999 -4.202 -3.891 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.798 -5.223 -2.768 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.331 -2.832 -3.314 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.535 -4.998 -1.966 1.00 0.00 C ATOM 0 H ILE A 73 -2.885 -6.219 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.060 -4.689 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.070 -4.119 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.656 -5.187 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.772 -6.224 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.533 -2.518 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.428 -2.110 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.270 -2.887 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.458 -5.758 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.669 -5.064 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.567 -4.010 -1.506 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.342 -2.993 -6.091 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.568 -2.021 -7.154 1.00 0.00 C ATOM 1057 C ASP A 74 -4.670 -0.800 -6.971 1.00 0.00 C ATOM 1058 O ASP A 74 -3.729 -0.824 -6.179 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.039 -1.595 -7.177 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.742 -2.013 -8.454 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -8.272 -3.143 -8.496 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -7.760 -1.212 -9.411 1.00 0.00 O ATOM 0 H ASP A 74 -6.114 -3.082 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.320 -2.490 -8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.554 -2.032 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.103 -0.512 -7.068 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.966 0.263 -7.712 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.183 1.492 -7.632 1.00 0.00 C ATOM 1069 C PHE A 75 -4.345 2.156 -6.268 1.00 0.00 C ATOM 1070 O PHE A 75 -3.406 2.205 -5.475 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.602 2.461 -8.739 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.688 3.646 -8.874 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.781 4.713 -7.995 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -2.739 3.693 -9.882 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.943 5.805 -8.118 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -1.898 4.783 -10.010 1.00 0.00 C ATOM 1077 CZ PHE A 75 -2.000 5.840 -9.126 1.00 0.00 C ATOM 0 H PHE A 75 -5.741 0.299 -8.374 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.133 1.232 -7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.632 1.925 -9.688 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.614 2.813 -8.539 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.517 4.691 -7.205 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.655 2.869 -10.575 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.026 6.630 -7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.162 4.808 -10.800 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.343 6.692 -9.223 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.543 2.669 -6.001 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.826 3.332 -4.732 1.00 0.00 C ATOM 1089 C GLU A 76 -5.901 2.327 -3.586 1.00 0.00 C ATOM 1090 O GLU A 76 -5.759 2.693 -2.419 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.138 4.115 -4.819 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.292 4.906 -6.108 1.00 0.00 C ATOM 1093 CD GLU A 76 -8.091 6.181 -5.917 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -8.211 6.640 -4.762 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -8.598 6.719 -6.924 1.00 0.00 O ATOM 0 H GLU A 76 -6.333 2.638 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.007 4.023 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.973 3.420 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.199 4.800 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.305 5.155 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.782 4.283 -6.856 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.131 1.060 -3.922 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.231 0.009 -2.914 1.00 0.00 C ATOM 1104 C GLU A 77 -4.994 -0.021 -2.017 1.00 0.00 C ATOM 1105 O GLU A 77 -5.058 -0.492 -0.882 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.432 -1.352 -3.583 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.896 -1.727 -3.753 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.093 -3.204 -4.045 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.627 -4.036 -3.238 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.714 -3.528 -5.079 1.00 0.00 O ATOM 0 H GLU A 77 -6.251 0.737 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.096 0.228 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.950 -1.343 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.934 -2.118 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.442 -1.464 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.325 -1.140 -4.565 1.00 0.00 H new ATOM 1117 N PHE A 78 -3.875 0.491 -2.524 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.636 0.526 -1.751 1.00 0.00 C ATOM 1119 C PHE A 78 -2.722 1.557 -0.627 1.00 0.00 C ATOM 1120 O PHE A 78 -1.866 1.597 0.256 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.443 0.834 -2.656 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.132 0.371 -2.089 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.319 -0.919 -2.315 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.648 1.226 -1.326 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.524 -1.349 -1.793 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.853 0.802 -0.800 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.292 -0.487 -1.034 1.00 0.00 C ATOM 0 H PHE A 78 -3.800 0.885 -3.462 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.493 -0.459 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.599 0.360 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.396 1.909 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.278 -1.597 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.310 2.235 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.865 -2.357 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.451 1.477 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.234 -0.820 -0.624 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.768 2.377 -0.650 1.00 0.00 N ATOM 1138 CA LEU A 79 -3.968 3.380 0.385 1.00 0.00 C ATOM 1139 C LEU A 79 -4.912 2.837 1.451 1.00 0.00 C ATOM 1140 O LEU A 79 -4.662 2.977 2.648 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.531 4.670 -0.217 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.569 5.424 -1.140 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.063 5.384 -2.579 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.397 6.864 -0.675 1.00 0.00 C ATOM 0 H LEU A 79 -4.487 2.365 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.006 3.610 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.434 4.428 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.827 5.334 0.595 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.598 4.930 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.366 5.925 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.131 4.348 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.047 5.850 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.710 7.383 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.364 7.368 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.994 6.874 0.338 1.00 0.00 H new ATOM 1156 N VAL A 80 -5.993 2.203 1.001 1.00 0.00 N ATOM 1157 CA VAL A 80 -6.979 1.620 1.903 1.00 0.00 C ATOM 1158 C VAL A 80 -6.347 0.551 2.780 1.00 0.00 C ATOM 1159 O VAL A 80 -6.739 0.364 3.932 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.152 0.988 1.130 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.247 0.542 2.088 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.701 1.958 0.100 1.00 0.00 C ATOM 0 H VAL A 80 -6.207 2.081 0.011 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.356 2.434 2.523 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.780 0.109 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.067 0.098 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.845 -0.195 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.615 1.403 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.529 1.491 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.055 2.859 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.915 2.221 -0.607 1.00 0.00 H new ATOM 1172 N MET A 81 -5.360 -0.146 2.228 1.00 0.00 N ATOM 1173 CA MET A 81 -4.666 -1.194 2.956 1.00 0.00 C ATOM 1174 C MET A 81 -4.165 -0.667 4.290 1.00 0.00 C ATOM 1175 O MET A 81 -4.234 -1.349 5.312 1.00 0.00 O ATOM 1176 CB MET A 81 -3.494 -1.719 2.131 1.00 0.00 C ATOM 1177 CG MET A 81 -2.761 -0.646 1.351 1.00 0.00 C ATOM 1178 SD MET A 81 -1.041 -1.075 1.035 1.00 0.00 S ATOM 1179 CE MET A 81 -0.538 -1.542 2.683 1.00 0.00 C ATOM 0 H MET A 81 -5.024 -0.001 1.276 1.00 0.00 H new ATOM 0 HA MET A 81 -5.364 -2.010 3.140 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.788 -2.216 2.796 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.862 -2.473 1.435 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.271 -0.479 0.402 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.802 0.292 1.904 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.526 -1.343 2.809 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.104 -0.964 3.414 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.729 -2.604 2.834 1.00 0.00 H new ATOM 1189 N MET A 82 -3.668 0.560 4.264 1.00 0.00 N ATOM 1190 CA MET A 82 -3.156 1.206 5.461 1.00 0.00 C ATOM 1191 C MET A 82 -4.289 1.868 6.239 1.00 0.00 C ATOM 1192 O MET A 82 -4.242 1.953 7.464 1.00 0.00 O ATOM 1193 CB MET A 82 -2.093 2.242 5.090 1.00 0.00 C ATOM 1194 CG MET A 82 -0.820 2.121 5.915 1.00 0.00 C ATOM 1195 SD MET A 82 0.472 3.255 5.374 1.00 0.00 S ATOM 1196 CE MET A 82 0.824 2.613 3.742 1.00 0.00 C ATOM 0 H MET A 82 -3.609 1.131 3.421 1.00 0.00 H new ATOM 0 HA MET A 82 -2.700 0.446 6.095 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.845 2.135 4.034 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.508 3.241 5.220 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.051 2.314 6.963 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.448 1.098 5.854 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.854 2.259 3.705 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.148 1.787 3.522 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.685 3.402 3.003 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.313 2.326 5.521 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.458 2.968 6.156 1.00 0.00 C ATOM 1208 C VAL A 83 -7.125 2.015 7.144 1.00 0.00 C ATOM 1209 O VAL A 83 -7.658 2.438 8.169 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.498 3.435 5.114 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.718 4.041 5.794 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.877 4.433 4.148 1.00 0.00 C ATOM 0 H VAL A 83 -5.372 2.264 4.505 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.085 3.843 6.687 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.824 2.562 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.434 4.362 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.182 3.296 6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.412 4.900 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.625 4.750 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.518 5.301 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.042 3.964 3.627 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.083 0.725 6.828 1.00 0.00 N ATOM 1223 CA ARG A 84 -7.676 -0.292 7.691 1.00 0.00 C ATOM 1224 C ARG A 84 -6.750 -0.627 8.859 1.00 0.00 C ATOM 1225 O ARG A 84 -7.153 -1.300 9.807 1.00 0.00 O ATOM 1226 CB ARG A 84 -7.982 -1.558 6.887 1.00 0.00 C ATOM 1227 CG ARG A 84 -8.811 -1.302 5.639 1.00 0.00 C ATOM 1228 CD ARG A 84 -9.838 -2.401 5.418 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.108 -1.872 4.925 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.260 -2.536 4.986 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.308 -3.752 5.514 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.369 -1.981 4.515 1.00 0.00 N ATOM 0 H ARG A 84 -6.646 0.359 5.982 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.606 0.108 8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.043 -2.031 6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.512 -2.265 7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.318 -0.341 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.154 -1.236 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.446 -3.126 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.006 -2.934 6.354 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.112 -0.940 4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.458 -4.184 5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.195 -4.255 5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.338 -1.047 4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.253 -2.489 4.561 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.510 -0.147 8.790 1.00 0.00 N ATOM 1247 CA GLN A 85 -4.534 -0.390 9.845 1.00 0.00 C ATOM 1248 C GLN A 85 -4.304 0.883 10.653 1.00 0.00 C ATOM 1249 O GLN A 85 -3.968 0.831 11.836 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.206 -0.875 9.250 1.00 0.00 C ATOM 1251 CG GLN A 85 -3.370 -1.843 8.088 1.00 0.00 C ATOM 1252 CD GLN A 85 -2.161 -1.861 7.172 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -1.346 -0.939 7.182 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -2.041 -2.915 6.373 1.00 0.00 N ATOM 0 H GLN A 85 -5.159 0.413 8.013 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.927 -1.165 10.503 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -2.633 -0.011 8.913 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -2.623 -1.358 10.034 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.542 -2.847 8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.254 -1.568 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.741 -3.656 6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.249 -2.983 5.734 1.00 0.00 H new ATOM 1263 N MET A 86 -4.493 2.022 9.998 1.00 0.00 N ATOM 1264 CA MET A 86 -4.317 3.318 10.636 1.00 0.00 C ATOM 1265 C MET A 86 -5.487 3.626 11.563 1.00 0.00 C ATOM 1266 O MET A 86 -5.298 3.918 12.744 1.00 0.00 O ATOM 1267 CB MET A 86 -4.193 4.408 9.569 1.00 0.00 C ATOM 1268 CG MET A 86 -2.794 4.536 8.990 1.00 0.00 C ATOM 1269 SD MET A 86 -2.585 6.027 7.997 1.00 0.00 S ATOM 1270 CE MET A 86 -2.068 5.322 6.433 1.00 0.00 C ATOM 0 H MET A 86 -4.770 2.072 9.018 1.00 0.00 H new ATOM 0 HA MET A 86 -3.405 3.291 11.232 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.893 4.195 8.761 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.487 5.364 10.002 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.068 4.541 9.803 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.578 3.662 8.375 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.729 6.118 5.770 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.252 4.619 6.603 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.908 4.800 5.974 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.700 3.555 11.021 1.00 0.00 N ATOM 1281 CA LYS A 87 -7.904 3.821 11.798 1.00 0.00 C ATOM 1282 C LYS A 87 -8.784 2.577 11.878 1.00 0.00 C ATOM 1283 O LYS A 87 -9.731 2.424 11.107 1.00 0.00 O ATOM 1284 CB LYS A 87 -8.692 4.978 11.180 1.00 0.00 C ATOM 1285 CG LYS A 87 -8.915 4.831 9.683 1.00 0.00 C ATOM 1286 CD LYS A 87 -7.715 5.326 8.890 1.00 0.00 C ATOM 1287 CE LYS A 87 -7.960 6.713 8.317 1.00 0.00 C ATOM 1288 NZ LYS A 87 -6.706 7.332 7.805 1.00 0.00 N ATOM 0 H LYS A 87 -6.874 3.315 10.045 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.601 4.097 12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.659 5.055 11.677 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.161 5.911 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.105 3.785 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.803 5.391 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.836 5.347 9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.500 4.629 8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.689 6.648 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.393 7.352 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.899 8.308 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.990 7.340 8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.352 6.781 6.997 1.00 0.00 H new ATOM 1302 N GLU A 88 -8.462 1.690 12.814 1.00 0.00 N ATOM 1303 CA GLU A 88 -9.222 0.457 12.993 1.00 0.00 C ATOM 1304 C GLU A 88 -10.695 0.754 13.255 1.00 0.00 C ATOM 1305 O GLU A 88 -11.032 1.551 14.130 1.00 0.00 O ATOM 1306 CB GLU A 88 -8.641 -0.361 14.149 1.00 0.00 C ATOM 1307 CG GLU A 88 -9.050 -1.824 14.125 1.00 0.00 C ATOM 1308 CD GLU A 88 -7.948 -2.746 14.610 1.00 0.00 C ATOM 1309 OE1 GLU A 88 -6.903 -2.832 13.930 1.00 0.00 O ATOM 1310 OE2 GLU A 88 -8.129 -3.381 15.670 1.00 0.00 O ATOM 0 H GLU A 88 -7.681 1.801 13.460 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.147 -0.121 12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.553 -0.296 14.118 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.960 0.081 15.093 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.934 -1.961 14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.331 -2.102 13.109 1.00 0.00 H new ATOM 1317 N ASP A 89 -11.568 0.106 12.492 1.00 0.00 N ATOM 1318 CA ASP A 89 -13.005 0.298 12.640 1.00 0.00 C ATOM 1319 C ASP A 89 -13.640 -0.879 13.374 1.00 0.00 C ATOM 1320 O ASP A 89 -12.993 -1.900 13.606 1.00 0.00 O ATOM 1321 CB ASP A 89 -13.663 0.472 11.270 1.00 0.00 C ATOM 1322 CG ASP A 89 -14.952 1.265 11.343 1.00 0.00 C ATOM 1323 OD1 ASP A 89 -15.074 2.119 12.248 1.00 0.00 O ATOM 1324 OD2 ASP A 89 -15.842 1.033 10.497 1.00 0.00 O ATOM 0 H ASP A 89 -11.305 -0.558 11.764 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.165 1.201 13.230 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.968 0.975 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.867 -0.509 10.841 1.00 0.00 H new ATOM 1329 N ALA A 90 -14.910 -0.729 13.737 1.00 0.00 N ATOM 1330 CA ALA A 90 -15.632 -1.780 14.445 1.00 0.00 C ATOM 1331 C ALA A 90 -16.079 -2.879 13.487 1.00 0.00 C ATOM 1332 O ALA A 90 -16.062 -4.059 13.893 1.00 0.00 O ATOM 1333 CB ALA A 90 -16.830 -1.195 15.176 1.00 0.00 C ATOM 1334 OXT ALA A 90 -16.444 -2.550 12.338 1.00 0.00 O ATOM 0 H ALA A 90 -15.460 0.110 13.553 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.956 -2.224 15.175 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -17.360 -1.990 15.700 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.489 -0.450 15.895 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.501 -0.725 14.457 1.00 0.00 H new TER 1340 ALA A 90 ATOM 1341 N ARG B 115 1.826 -3.277 10.474 1.00 0.00 N ATOM 1342 CA ARG B 115 0.849 -2.897 9.418 1.00 0.00 C ATOM 1343 C ARG B 115 0.679 -1.382 9.342 1.00 0.00 C ATOM 1344 O ARG B 115 0.861 -0.782 8.283 1.00 0.00 O ATOM 1345 CB ARG B 115 -0.494 -3.569 9.723 1.00 0.00 C ATOM 1346 CG ARG B 115 -0.906 -3.494 11.185 1.00 0.00 C ATOM 1347 CD ARG B 115 -1.919 -4.572 11.535 1.00 0.00 C ATOM 1348 NE ARG B 115 -2.411 -4.438 12.903 1.00 0.00 N ATOM 1349 CZ ARG B 115 -3.276 -3.504 13.292 1.00 0.00 C ATOM 1350 NH1 ARG B 115 -3.745 -2.620 12.420 1.00 0.00 N ATOM 1351 NH2 ARG B 115 -3.673 -3.454 14.556 1.00 0.00 N ATOM 0 HA ARG B 115 1.222 -3.233 8.451 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -1.268 -3.103 9.114 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -0.441 -4.616 9.425 1.00 0.00 H new ATOM 0 HG2 ARG B 115 -0.025 -3.602 11.818 1.00 0.00 H new ATOM 0 HG3 ARG B 115 -1.331 -2.512 11.394 1.00 0.00 H new ATOM 0 HD2 ARG B 115 -2.758 -4.520 10.841 1.00 0.00 H new ATOM 0 HD3 ARG B 115 -1.462 -5.553 11.409 1.00 0.00 H new ATOM 0 HE ARG B 115 -2.072 -5.099 13.602 1.00 0.00 H new ATOM 0 HH11 ARG B 115 -3.443 -2.654 11.446 1.00 0.00 H new ATOM 0 HH12 ARG B 115 -4.408 -1.906 12.723 1.00 0.00 H new ATOM 0 HH21 ARG B 115 -3.316 -4.131 15.230 1.00 0.00 H new ATOM 0 HH22 ARG B 115 -4.336 -2.738 14.854 1.00 0.00 H new ATOM 1367 N MET B 116 0.336 -0.767 10.470 1.00 0.00 N ATOM 1368 CA MET B 116 0.148 0.678 10.521 1.00 0.00 C ATOM 1369 C MET B 116 1.489 1.398 10.449 1.00 0.00 C ATOM 1370 O MET B 116 2.539 0.799 10.678 1.00 0.00 O ATOM 1371 CB MET B 116 -0.590 1.079 11.800 1.00 0.00 C ATOM 1372 CG MET B 116 -0.837 2.576 11.916 1.00 0.00 C ATOM 1373 SD MET B 116 -1.836 3.007 13.352 1.00 0.00 S ATOM 1374 CE MET B 116 -2.078 4.762 13.083 1.00 0.00 C ATOM 0 H MET B 116 0.183 -1.245 11.358 1.00 0.00 H new ATOM 0 HA MET B 116 -0.453 0.971 9.660 1.00 0.00 H new ATOM 0 HB2 MET B 116 -1.546 0.557 11.837 1.00 0.00 H new ATOM 0 HB3 MET B 116 -0.012 0.746 12.662 1.00 0.00 H new ATOM 0 HG2 MET B 116 0.120 3.094 11.976 1.00 0.00 H new ATOM 0 HG3 MET B 116 -1.335 2.929 11.013 1.00 0.00 H new ATOM 0 HE1 MET B 116 -3.105 5.030 13.330 1.00 0.00 H new ATOM 0 HE2 MET B 116 -1.394 5.325 13.718 1.00 0.00 H new ATOM 0 HE3 MET B 116 -1.882 5.000 12.038 1.00 0.00 H new ATOM 1384 N SER B 117 1.446 2.686 10.125 1.00 0.00 N ATOM 1385 CA SER B 117 2.659 3.486 10.020 1.00 0.00 C ATOM 1386 C SER B 117 3.583 2.925 8.946 1.00 0.00 C ATOM 1387 O SER B 117 4.806 2.975 9.074 1.00 0.00 O ATOM 1388 CB SER B 117 3.384 3.536 11.366 1.00 0.00 C ATOM 1389 OG SER B 117 4.225 2.408 11.539 1.00 0.00 O ATOM 0 H SER B 117 0.585 3.197 9.931 1.00 0.00 H new ATOM 0 HA SER B 117 2.375 4.500 9.737 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.978 4.448 11.428 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.653 3.575 12.174 1.00 0.00 H new ATOM 0 HG SER B 117 3.676 1.601 11.627 1.00 0.00 H new ATOM 1395 N ALA B 118 2.987 2.398 7.881 1.00 0.00 N ATOM 1396 CA ALA B 118 3.752 1.833 6.775 1.00 0.00 C ATOM 1397 C ALA B 118 4.347 2.931 5.895 1.00 0.00 C ATOM 1398 O ALA B 118 5.042 2.646 4.920 1.00 0.00 O ATOM 1399 CB ALA B 118 2.874 0.905 5.948 1.00 0.00 C ATOM 0 H ALA B 118 1.975 2.350 7.761 1.00 0.00 H new ATOM 0 HA ALA B 118 4.578 1.258 7.194 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.457 0.490 5.126 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.507 0.095 6.578 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.029 1.465 5.547 1.00 0.00 H new ATOM 1405 N ASP B 119 4.071 4.189 6.241 1.00 0.00 N ATOM 1406 CA ASP B 119 4.578 5.326 5.483 1.00 0.00 C ATOM 1407 C ASP B 119 6.080 5.201 5.233 1.00 0.00 C ATOM 1408 O ASP B 119 6.603 5.753 4.265 1.00 0.00 O ATOM 1409 CB ASP B 119 4.277 6.629 6.222 1.00 0.00 C ATOM 1410 CG ASP B 119 4.585 7.854 5.385 1.00 0.00 C ATOM 1411 OD1 ASP B 119 3.841 8.114 4.417 1.00 0.00 O ATOM 1412 OD2 ASP B 119 5.571 8.554 5.696 1.00 0.00 O ATOM 0 H ASP B 119 3.497 4.443 7.045 1.00 0.00 H new ATOM 0 HA ASP B 119 4.074 5.336 4.517 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.226 6.645 6.511 1.00 0.00 H new ATOM 0 HB3 ASP B 119 4.861 6.665 7.142 1.00 0.00 H new ATOM 1417 N ALA B 120 6.771 4.469 6.104 1.00 0.00 N ATOM 1418 CA ALA B 120 8.210 4.274 5.962 1.00 0.00 C ATOM 1419 C ALA B 120 8.546 3.745 4.573 1.00 0.00 C ATOM 1420 O ALA B 120 9.232 4.409 3.796 1.00 0.00 O ATOM 1421 CB ALA B 120 8.727 3.325 7.033 1.00 0.00 C ATOM 0 H ALA B 120 6.359 4.003 6.912 1.00 0.00 H new ATOM 0 HA ALA B 120 8.701 5.239 6.089 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.802 3.191 6.912 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.522 3.742 8.019 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.228 2.361 6.936 1.00 0.00 H new ATOM 1427 N MET B 121 8.040 2.556 4.256 1.00 0.00 N ATOM 1428 CA MET B 121 8.276 1.959 2.947 1.00 0.00 C ATOM 1429 C MET B 121 7.776 2.896 1.855 1.00 0.00 C ATOM 1430 O MET B 121 8.333 2.947 0.758 1.00 0.00 O ATOM 1431 CB MET B 121 7.568 0.604 2.841 1.00 0.00 C ATOM 1432 CG MET B 121 7.626 -0.015 1.450 1.00 0.00 C ATOM 1433 SD MET B 121 6.053 -0.731 0.940 1.00 0.00 S ATOM 1434 CE MET B 121 4.958 0.666 1.176 1.00 0.00 C ATOM 0 H MET B 121 7.468 1.991 4.884 1.00 0.00 H new ATOM 0 HA MET B 121 9.347 1.801 2.821 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.017 -0.087 3.554 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.524 0.727 3.130 1.00 0.00 H new ATOM 0 HG2 MET B 121 7.924 0.747 0.730 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.395 -0.788 1.433 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.275 0.740 0.330 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.385 0.529 2.093 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.546 1.581 1.249 1.00 0.00 H new ATOM 1444 N LEU B 122 6.725 3.642 2.173 1.00 0.00 N ATOM 1445 CA LEU B 122 6.148 4.588 1.233 1.00 0.00 C ATOM 1446 C LEU B 122 7.130 5.721 0.958 1.00 0.00 C ATOM 1447 O LEU B 122 7.300 6.146 -0.182 1.00 0.00 O ATOM 1448 CB LEU B 122 4.833 5.150 1.783 1.00 0.00 C ATOM 1449 CG LEU B 122 3.608 4.241 1.624 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.686 3.052 2.573 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.328 5.030 1.864 1.00 0.00 C ATOM 0 H LEU B 122 6.256 3.608 3.078 1.00 0.00 H new ATOM 0 HA LEU B 122 5.941 4.068 0.298 1.00 0.00 H new ATOM 0 HB2 LEU B 122 4.966 5.368 2.843 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.627 6.098 1.286 1.00 0.00 H new ATOM 0 HG LEU B 122 3.597 3.860 0.603 1.00 0.00 H new ATOM 0 HD11 LEU B 122 2.806 2.423 2.441 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.583 2.472 2.356 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.725 3.410 3.602 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.467 4.371 1.748 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.337 5.440 2.874 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.262 5.844 1.142 1.00 0.00 H new ATOM 1463 N ARG B 123 7.778 6.205 2.015 1.00 0.00 N ATOM 1464 CA ARG B 123 8.749 7.286 1.888 1.00 0.00 C ATOM 1465 C ARG B 123 10.158 6.740 1.651 1.00 0.00 C ATOM 1466 O ARG B 123 11.144 7.458 1.816 1.00 0.00 O ATOM 1467 CB ARG B 123 8.735 8.162 3.142 1.00 0.00 C ATOM 1468 CG ARG B 123 9.626 9.390 3.035 1.00 0.00 C ATOM 1469 CD ARG B 123 8.875 10.660 3.403 1.00 0.00 C ATOM 1470 NE ARG B 123 9.070 11.024 4.805 1.00 0.00 N ATOM 1471 CZ ARG B 123 8.299 11.887 5.462 1.00 0.00 C ATOM 1472 NH1 ARG B 123 7.281 12.478 4.848 1.00 0.00 N ATOM 1473 NH2 ARG B 123 8.546 12.162 6.735 1.00 0.00 N ATOM 0 H ARG B 123 7.648 5.865 2.968 1.00 0.00 H new ATOM 0 HA ARG B 123 8.466 7.889 1.025 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.712 8.482 3.341 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.054 7.565 3.996 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.488 9.273 3.692 1.00 0.00 H new ATOM 0 HG3 ARG B 123 10.009 9.475 2.018 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.212 11.478 2.766 1.00 0.00 H new ATOM 0 HD3 ARG B 123 7.811 10.522 3.209 1.00 0.00 H new ATOM 0 HE ARG B 123 9.843 10.591 5.310 1.00 0.00 H new ATOM 0 HH11 ARG B 123 7.087 12.271 3.868 1.00 0.00 H new ATOM 0 HH12 ARG B 123 6.693 13.139 5.356 1.00 0.00 H new ATOM 0 HH21 ARG B 123 9.328 11.712 7.212 1.00 0.00 H new ATOM 0 HH22 ARG B 123 7.955 12.824 7.238 1.00 0.00 H new ATOM 1487 N ALA B 124 10.247 5.468 1.270 1.00 0.00 N ATOM 1488 CA ALA B 124 11.536 4.835 1.019 1.00 0.00 C ATOM 1489 C ALA B 124 12.053 5.159 -0.378 1.00 0.00 C ATOM 1490 O ALA B 124 13.015 5.908 -0.539 1.00 0.00 O ATOM 1491 CB ALA B 124 11.423 3.328 1.200 1.00 0.00 C ATOM 0 H ALA B 124 9.442 4.857 1.129 1.00 0.00 H new ATOM 0 HA ALA B 124 12.251 5.231 1.740 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.391 2.865 1.010 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.109 3.107 2.220 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.688 2.932 0.500 1.00 0.00 H new ATOM 1497 N LEU B 125 11.410 4.578 -1.384 1.00 0.00 N ATOM 1498 CA LEU B 125 11.803 4.792 -2.771 1.00 0.00 C ATOM 1499 C LEU B 125 11.302 6.138 -3.290 1.00 0.00 C ATOM 1500 O LEU B 125 11.827 6.666 -4.271 1.00 0.00 O ATOM 1501 CB LEU B 125 11.266 3.655 -3.642 1.00 0.00 C ATOM 1502 CG LEU B 125 11.595 2.253 -3.134 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.561 1.253 -3.624 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.992 1.840 -3.573 1.00 0.00 C ATOM 0 H LEU B 125 10.612 3.954 -1.264 1.00 0.00 H new ATOM 0 HA LEU B 125 12.892 4.802 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.183 3.754 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.668 3.766 -4.649 1.00 0.00 H new ATOM 0 HG LEU B 125 11.569 2.266 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.811 0.259 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.575 1.540 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.554 1.242 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.209 0.838 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.047 1.843 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.722 2.542 -3.171 1.00 0.00 H new ATOM 1516 N LEU B 126 10.290 6.691 -2.628 1.00 0.00 N ATOM 1517 CA LEU B 126 9.727 7.976 -3.028 1.00 0.00 C ATOM 1518 C LEU B 126 9.193 7.916 -4.455 1.00 0.00 C ATOM 1519 O LEU B 126 9.569 7.038 -5.232 1.00 0.00 O ATOM 1520 CB LEU B 126 10.784 9.077 -2.910 1.00 0.00 C ATOM 1521 CG LEU B 126 10.807 9.812 -1.569 1.00 0.00 C ATOM 1522 CD1 LEU B 126 11.869 10.900 -1.575 1.00 0.00 C ATOM 1523 CD2 LEU B 126 9.439 10.402 -1.264 1.00 0.00 C ATOM 0 H LEU B 126 9.844 6.270 -1.813 1.00 0.00 H new ATOM 0 HA LEU B 126 8.897 8.206 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU B 126 11.766 8.637 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU B 126 10.618 9.806 -3.703 1.00 0.00 H new ATOM 0 HG LEU B 126 11.056 9.095 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU B 126 11.871 11.412 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU B 126 12.847 10.452 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU B 126 11.651 11.617 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU B 126 9.472 10.922 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU B 126 9.163 11.106 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU B 126 8.700 9.602 -1.217 1.00 0.00 H new ATOM 1535 N GLY B 127 8.315 8.854 -4.793 1.00 0.00 N ATOM 1536 CA GLY B 127 7.743 8.888 -6.127 1.00 0.00 C ATOM 1537 C GLY B 127 8.522 9.782 -7.071 1.00 0.00 C ATOM 1538 O GLY B 127 8.579 10.997 -6.880 1.00 0.00 O ATOM 0 H GLY B 127 7.989 9.591 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY B 127 7.713 7.876 -6.532 1.00 0.00 H new ATOM 0 HA3 GLY B 127 6.712 9.238 -6.068 1.00 0.00 H new ATOM 1542 N SER B 128 9.121 9.180 -8.093 1.00 0.00 N ATOM 1543 CA SER B 128 9.900 9.928 -9.072 1.00 0.00 C ATOM 1544 C SER B 128 11.047 10.678 -8.403 1.00 0.00 C ATOM 1545 O SER B 128 11.156 10.697 -7.177 1.00 0.00 O ATOM 1546 CB SER B 128 9.001 10.914 -9.824 1.00 0.00 C ATOM 1547 OG SER B 128 9.380 11.013 -11.185 1.00 0.00 O ATOM 0 H SER B 128 9.082 8.175 -8.265 1.00 0.00 H new ATOM 0 HA SER B 128 10.323 9.216 -9.781 1.00 0.00 H new ATOM 0 HB2 SER B 128 7.963 10.590 -9.755 1.00 0.00 H new ATOM 0 HB3 SER B 128 9.060 11.896 -9.354 1.00 0.00 H new ATOM 0 HG SER B 128 8.790 11.647 -11.644 1.00 0.00 H new ATOM 1553 N LYS B 129 11.898 11.294 -9.216 1.00 0.00 N ATOM 1554 CA LYS B 129 13.038 12.046 -8.704 1.00 0.00 C ATOM 1555 C LYS B 129 12.924 13.523 -9.070 1.00 0.00 C ATOM 1556 O LYS B 129 12.987 14.395 -8.204 1.00 0.00 O ATOM 1557 CB LYS B 129 14.344 11.471 -9.255 1.00 0.00 C ATOM 1558 CG LYS B 129 14.976 10.424 -8.352 1.00 0.00 C ATOM 1559 CD LYS B 129 16.493 10.506 -8.382 1.00 0.00 C ATOM 1560 CE LYS B 129 17.023 11.424 -7.291 1.00 0.00 C ATOM 1561 NZ LYS B 129 16.503 12.812 -7.431 1.00 0.00 N ATOM 0 H LYS B 129 11.820 11.287 -10.233 1.00 0.00 H new ATOM 0 HA LYS B 129 13.041 11.959 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS B 129 14.153 11.028 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS B 129 15.054 12.284 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS B 129 14.623 10.562 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS B 129 14.658 9.430 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS B 129 16.915 9.509 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS B 129 16.820 10.870 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS B 129 16.742 11.028 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS B 129 18.112 11.439 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 16.965 13.428 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 16.704 13.163 -8.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 15.476 12.816 -7.270 1.00 0.00 H new ATOM 1575 N HIS B 130 12.756 13.795 -10.361 1.00 0.00 N ATOM 1576 CA HIS B 130 12.633 15.166 -10.843 1.00 0.00 C ATOM 1577 C HIS B 130 11.235 15.425 -11.396 1.00 0.00 C ATOM 1578 O HIS B 130 10.596 14.525 -11.940 1.00 0.00 O ATOM 1579 CB HIS B 130 13.684 15.444 -11.922 1.00 0.00 C ATOM 1580 CG HIS B 130 14.759 16.388 -11.481 1.00 0.00 C ATOM 1581 ND1 HIS B 130 14.534 17.425 -10.599 1.00 0.00 N ATOM 1582 CD2 HIS B 130 16.073 16.449 -11.803 1.00 0.00 C ATOM 1583 CE1 HIS B 130 15.662 18.083 -10.399 1.00 0.00 C ATOM 1584 NE2 HIS B 130 16.611 17.511 -11.118 1.00 0.00 N ATOM 0 H HIS B 130 12.702 13.085 -11.091 1.00 0.00 H new ATOM 0 HA HIS B 130 12.800 15.839 -10.002 1.00 0.00 H new ATOM 0 HB2 HIS B 130 14.141 14.502 -12.224 1.00 0.00 H new ATOM 0 HB3 HIS B 130 13.189 15.855 -12.802 1.00 0.00 H new ATOM 0 HD2 HIS B 130 16.600 15.786 -12.473 1.00 0.00 H new ATOM 0 HE1 HIS B 130 15.787 18.942 -9.757 1.00 0.00 H new ATOM 0 HE2 HIS B 130 17.585 17.810 -11.158 1.00 0.00 H new ATOM 1593 N LYS B 131 10.766 16.660 -11.251 1.00 0.00 N ATOM 1594 CA LYS B 131 9.443 17.038 -11.735 1.00 0.00 C ATOM 1595 C LYS B 131 9.234 18.544 -11.625 1.00 0.00 C ATOM 1596 O LYS B 131 9.175 19.051 -10.485 1.00 0.00 O ATOM 1597 CB LYS B 131 8.359 16.301 -10.945 1.00 0.00 C ATOM 1598 CG LYS B 131 6.964 16.466 -11.526 1.00 0.00 C ATOM 1599 CD LYS B 131 6.110 15.232 -11.279 1.00 0.00 C ATOM 1600 CE LYS B 131 4.683 15.607 -10.909 1.00 0.00 C ATOM 1601 NZ LYS B 131 3.853 14.407 -10.612 1.00 0.00 N ATOM 1602 OXT LYS B 131 9.130 19.205 -12.679 1.00 0.00 O ATOM 0 H LYS B 131 11.283 17.416 -10.802 1.00 0.00 H new ATOM 0 HA LYS B 131 9.373 16.756 -12.785 1.00 0.00 H new ATOM 0 HB2 LYS B 131 8.605 15.240 -10.909 1.00 0.00 H new ATOM 0 HB3 LYS B 131 8.361 16.663 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS B 131 6.484 17.338 -11.081 1.00 0.00 H new ATOM 0 HG3 LYS B 131 7.034 16.653 -12.598 1.00 0.00 H new ATOM 0 HD2 LYS B 131 6.103 14.608 -12.173 1.00 0.00 H new ATOM 0 HD3 LYS B 131 6.550 14.638 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS B 131 4.694 16.265 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS B 131 4.231 16.168 -11.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 2.888 14.705 -10.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 3.821 13.791 -11.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 4.270 13.885 -9.814 1.00 0.00 H new TER 1616 LYS B 131 HETATM 1617 CA CA A 132 -8.727 -6.286 -4.522 1.00 0.00 CA HETATM 1618 CA CA A 133 2.724 -6.483 -10.064 1.00 0.00 CA