USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 654 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 Single : A 1 ALA N :NH3+ -139:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -147:sc= -0.577 (180deg=-3.4!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.396 K(o=-0.4,f=-4!) USER MOD Single : A 7 GLN : amide:sc= -0.0851 K(o=-0.085,f=-2.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -129:sc= -1.32 (180deg=-2.77!) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -1.03 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -93:sc= 1.42 USER MOD Single : A 46 MET CE :methyl -163:sc= -5.34! (180deg=-6.45!) USER MOD Single : A 48 MET CE :methyl -164:sc= -1.18 (180deg=-1.43) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -33:sc= 0.0853 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -55:sc= 0.0161 USER MOD Single : A 72 THR OG1 : rot -150:sc= -0.634 USER MOD Single : A 81 MET CE :methyl 150:sc= -2.4 (180deg=-4.49!) USER MOD Single : A 82 MET CE :methyl 166:sc= -5.26! (180deg=-5.4!) USER MOD Single : A 85 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 86 MET CE :methyl 145:sc= -1.11 (180deg=-5.25!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.348 -4.308 -12.595 1.00 0.00 N ATOM 2 CA ALA A 1 -11.608 -4.381 -11.800 1.00 0.00 C ATOM 3 C ALA A 1 -11.492 -3.466 -10.579 1.00 0.00 C ATOM 4 O ALA A 1 -10.608 -2.637 -10.495 1.00 0.00 O ATOM 5 CB ALA A 1 -11.837 -5.821 -11.338 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.578 -4.286 -13.609 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.826 -3.446 -12.339 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.760 -5.142 -12.392 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.447 -4.060 -12.417 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.758 -5.875 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.918 -6.474 -12.207 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.999 -6.142 -10.720 1.00 0.00 H new ATOM 13 N SER A 2 -12.376 -3.611 -9.630 1.00 0.00 N ATOM 14 CA SER A 2 -12.310 -2.750 -8.418 1.00 0.00 C ATOM 15 C SER A 2 -11.250 -3.307 -7.460 1.00 0.00 C ATOM 16 O SER A 2 -10.068 -3.105 -7.651 1.00 0.00 O ATOM 17 CB SER A 2 -13.678 -2.729 -7.732 1.00 0.00 C ATOM 18 OG SER A 2 -14.607 -2.040 -8.557 1.00 0.00 O ATOM 0 H SER A 2 -13.139 -4.287 -9.642 1.00 0.00 H new ATOM 0 HA SER A 2 -12.039 -1.733 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.022 -3.747 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.603 -2.239 -6.761 1.00 0.00 H new ATOM 0 HG SER A 2 -15.485 -2.026 -8.121 1.00 0.00 H new ATOM 24 N MET A 3 -11.656 -4.008 -6.434 1.00 0.00 N ATOM 25 CA MET A 3 -10.656 -4.571 -5.483 1.00 0.00 C ATOM 26 C MET A 3 -11.273 -5.747 -4.723 1.00 0.00 C ATOM 27 O MET A 3 -10.808 -6.127 -3.667 1.00 0.00 O ATOM 28 CB MET A 3 -10.229 -3.488 -4.490 1.00 0.00 C ATOM 29 CG MET A 3 -8.718 -3.275 -4.587 1.00 0.00 C ATOM 30 SD MET A 3 -8.228 -1.923 -3.488 1.00 0.00 S ATOM 31 CE MET A 3 -9.370 -0.678 -4.136 1.00 0.00 C ATOM 0 H MET A 3 -12.631 -4.213 -6.215 1.00 0.00 H new ATOM 0 HA MET A 3 -9.785 -4.918 -6.039 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.753 -2.556 -4.704 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.501 -3.781 -3.476 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.193 -4.190 -4.313 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.438 -3.043 -5.614 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.909 0.308 -4.071 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.601 -0.903 -5.177 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.289 -0.688 -3.551 1.00 0.00 H new ATOM 41 N THR A 4 -12.312 -6.331 -5.253 1.00 0.00 N ATOM 42 CA THR A 4 -12.949 -7.484 -4.560 1.00 0.00 C ATOM 43 C THR A 4 -12.173 -8.763 -4.888 1.00 0.00 C ATOM 44 O THR A 4 -11.187 -9.078 -4.253 1.00 0.00 O ATOM 45 CB THR A 4 -14.400 -7.625 -5.028 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.184 -6.587 -4.457 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.948 -8.982 -4.590 1.00 0.00 C ATOM 0 H THR A 4 -12.746 -6.060 -6.135 1.00 0.00 H new ATOM 0 HA THR A 4 -12.935 -7.317 -3.483 1.00 0.00 H new ATOM 0 HB THR A 4 -14.441 -7.553 -6.115 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.113 -6.675 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.981 -9.082 -4.923 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.346 -9.777 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.909 -9.057 -3.503 1.00 0.00 H new ATOM 55 N ASP A 5 -12.603 -9.499 -5.877 1.00 0.00 N ATOM 56 CA ASP A 5 -11.877 -10.749 -6.240 1.00 0.00 C ATOM 57 C ASP A 5 -10.375 -10.465 -6.263 1.00 0.00 C ATOM 58 O ASP A 5 -9.561 -11.344 -6.066 1.00 0.00 O ATOM 59 CB ASP A 5 -12.328 -11.217 -7.626 1.00 0.00 C ATOM 60 CG ASP A 5 -13.518 -12.167 -7.485 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.632 -11.679 -7.394 1.00 0.00 O ATOM 62 OD2 ASP A 5 -13.294 -13.366 -7.471 1.00 0.00 O ATOM 0 H ASP A 5 -13.422 -9.290 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.094 -11.527 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.605 -10.359 -8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.507 -11.720 -8.136 1.00 0.00 H new ATOM 67 N GLN A 6 -10.005 -9.238 -6.506 1.00 0.00 N ATOM 68 CA GLN A 6 -8.561 -8.882 -6.549 1.00 0.00 C ATOM 69 C GLN A 6 -7.931 -9.101 -5.170 1.00 0.00 C ATOM 70 O GLN A 6 -6.930 -9.777 -5.037 1.00 0.00 O ATOM 71 CB GLN A 6 -8.422 -7.412 -6.947 1.00 0.00 C ATOM 72 CG GLN A 6 -6.986 -7.135 -7.397 1.00 0.00 C ATOM 73 CD GLN A 6 -6.845 -5.659 -7.775 1.00 0.00 C ATOM 74 OE1 GLN A 6 -6.467 -4.844 -6.957 1.00 0.00 O ATOM 75 NE2 GLN A 6 -7.136 -5.279 -8.989 1.00 0.00 N ATOM 0 H GLN A 6 -10.646 -8.463 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.051 -9.512 -7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.118 -7.175 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.680 -6.771 -6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.289 -7.385 -6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.733 -7.765 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.453 -5.964 -9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.046 -4.297 -9.252 1.00 0.00 H new ATOM 84 N GLN A 7 -8.503 -8.531 -4.144 1.00 0.00 N ATOM 85 CA GLN A 7 -7.927 -8.705 -2.779 1.00 0.00 C ATOM 86 C GLN A 7 -8.022 -10.176 -2.361 1.00 0.00 C ATOM 87 O GLN A 7 -7.192 -10.677 -1.628 1.00 0.00 O ATOM 88 CB GLN A 7 -8.698 -7.828 -1.783 1.00 0.00 C ATOM 89 CG GLN A 7 -10.018 -8.505 -1.399 1.00 0.00 C ATOM 90 CD GLN A 7 -10.935 -7.488 -0.716 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.784 -6.297 -0.898 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.888 -7.913 0.068 1.00 0.00 N ATOM 0 H GLN A 7 -9.342 -7.954 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.879 -8.405 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.094 -7.659 -0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.896 -6.851 -2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.503 -8.909 -2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.827 -9.345 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.015 -8.914 0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.506 -7.245 0.528 1.00 0.00 H new ATOM 101 N ALA A 8 -9.029 -10.870 -2.817 1.00 0.00 N ATOM 102 CA ALA A 8 -9.176 -12.305 -2.441 1.00 0.00 C ATOM 103 C ALA A 8 -7.897 -13.065 -2.797 1.00 0.00 C ATOM 104 O ALA A 8 -7.412 -13.874 -2.032 1.00 0.00 O ATOM 105 CB ALA A 8 -10.359 -12.912 -3.197 1.00 0.00 C ATOM 0 H ALA A 8 -9.756 -10.506 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.353 -12.381 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.467 -13.961 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.271 -12.374 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.184 -12.834 -4.270 1.00 0.00 H new ATOM 111 N GLU A 9 -7.347 -12.815 -3.955 1.00 0.00 N ATOM 112 CA GLU A 9 -6.100 -13.526 -4.357 1.00 0.00 C ATOM 113 C GLU A 9 -4.928 -13.016 -3.517 1.00 0.00 C ATOM 114 O GLU A 9 -4.075 -13.774 -3.099 1.00 0.00 O ATOM 115 CB GLU A 9 -5.819 -13.267 -5.839 1.00 0.00 C ATOM 116 CG GLU A 9 -6.985 -13.790 -6.681 1.00 0.00 C ATOM 117 CD GLU A 9 -6.442 -14.567 -7.883 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.291 -14.353 -8.231 1.00 0.00 O ATOM 119 OE2 GLU A 9 -7.184 -15.362 -8.435 1.00 0.00 O ATOM 0 H GLU A 9 -7.707 -12.150 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.224 -14.597 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.682 -12.200 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.893 -13.760 -6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.623 -14.435 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.603 -12.959 -7.021 1.00 0.00 H new ATOM 126 N ALA A 10 -4.877 -11.736 -3.267 1.00 0.00 N ATOM 127 CA ALA A 10 -3.759 -11.180 -2.453 1.00 0.00 C ATOM 128 C ALA A 10 -3.786 -11.804 -1.056 1.00 0.00 C ATOM 129 O ALA A 10 -2.799 -11.806 -0.347 1.00 0.00 O ATOM 130 CB ALA A 10 -3.916 -9.663 -2.338 1.00 0.00 C ATOM 0 H ALA A 10 -5.561 -11.052 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.809 -11.410 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.098 -9.257 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.896 -9.219 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.866 -9.431 -1.856 1.00 0.00 H new ATOM 136 N ARG A 11 -4.909 -12.334 -0.654 1.00 0.00 N ATOM 137 CA ARG A 11 -4.997 -12.960 0.696 1.00 0.00 C ATOM 138 C ARG A 11 -4.415 -14.372 0.637 1.00 0.00 C ATOM 139 O ARG A 11 -3.629 -14.766 1.476 1.00 0.00 O ATOM 140 CB ARG A 11 -6.461 -13.031 1.135 1.00 0.00 C ATOM 141 CG ARG A 11 -6.608 -12.409 2.526 1.00 0.00 C ATOM 142 CD ARG A 11 -7.009 -10.940 2.389 1.00 0.00 C ATOM 143 NE ARG A 11 -6.089 -10.096 3.202 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.795 -8.887 2.811 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.546 -8.652 1.552 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.749 -7.914 3.679 1.00 0.00 N ATOM 0 H ARG A 11 -5.769 -12.361 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.434 -12.361 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.092 -12.503 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.797 -14.068 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.360 -12.950 3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.669 -12.491 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.969 -10.637 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.037 -10.800 2.722 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.689 -10.464 4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.581 -9.414 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.316 -7.707 1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.943 -8.099 4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.519 -6.968 3.373 1.00 0.00 H new ATOM 160 N ALA A 12 -4.791 -15.136 -0.352 1.00 0.00 N ATOM 161 CA ALA A 12 -4.256 -16.521 -0.467 1.00 0.00 C ATOM 162 C ALA A 12 -2.731 -16.482 -0.377 1.00 0.00 C ATOM 163 O ALA A 12 -2.133 -17.095 0.486 1.00 0.00 O ATOM 164 CB ALA A 12 -4.674 -17.118 -1.812 1.00 0.00 C ATOM 0 H ALA A 12 -5.445 -14.861 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.653 -17.136 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.283 -18.132 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.762 -17.142 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.276 -16.506 -2.621 1.00 0.00 H new ATOM 170 N PHE A 13 -2.095 -15.765 -1.263 1.00 0.00 N ATOM 171 CA PHE A 13 -0.608 -15.684 -1.228 1.00 0.00 C ATOM 172 C PHE A 13 -0.160 -15.108 0.117 1.00 0.00 C ATOM 173 O PHE A 13 0.673 -15.673 0.798 1.00 0.00 O ATOM 174 CB PHE A 13 -0.122 -14.775 -2.358 1.00 0.00 C ATOM 175 CG PHE A 13 1.301 -15.132 -2.717 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.553 -16.132 -3.664 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.367 -14.464 -2.103 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.871 -16.465 -3.996 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.685 -14.796 -2.436 1.00 0.00 C ATOM 180 CZ PHE A 13 3.938 -15.797 -3.382 1.00 0.00 C ATOM 0 H PHE A 13 -2.541 -15.232 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.186 -16.681 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.767 -14.885 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.179 -13.731 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.730 -16.646 -4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.172 -13.693 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.065 -17.237 -4.726 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.508 -14.280 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.955 -16.054 -3.638 1.00 0.00 H new ATOM 190 N LEU A 14 -0.707 -13.989 0.505 1.00 0.00 N ATOM 191 CA LEU A 14 -0.313 -13.377 1.805 1.00 0.00 C ATOM 192 C LEU A 14 -1.085 -14.053 2.941 1.00 0.00 C ATOM 193 O LEU A 14 -2.063 -13.529 3.435 1.00 0.00 O ATOM 194 CB LEU A 14 -0.640 -11.883 1.786 1.00 0.00 C ATOM 195 CG LEU A 14 -0.009 -11.237 0.553 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.307 -9.736 0.553 1.00 0.00 C ATOM 197 CD2 LEU A 14 1.505 -11.456 0.581 1.00 0.00 C ATOM 0 H LEU A 14 -1.410 -13.472 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 14 0.757 -13.513 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.720 -11.737 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.264 -11.406 2.691 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.426 -11.690 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.143 -9.276 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.385 -9.579 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.109 -9.283 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.956 -10.995 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.921 -11.004 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.718 -12.525 0.580 1.00 0.00 H new ATOM 209 N SER A 15 -0.654 -15.211 3.358 1.00 0.00 N ATOM 210 CA SER A 15 -1.364 -15.918 4.461 1.00 0.00 C ATOM 211 C SER A 15 -1.707 -14.920 5.570 1.00 0.00 C ATOM 212 O SER A 15 -1.174 -13.830 5.623 1.00 0.00 O ATOM 213 CB SER A 15 -0.463 -17.017 5.025 1.00 0.00 C ATOM 214 OG SER A 15 -0.058 -17.879 3.969 1.00 0.00 O ATOM 0 H SER A 15 0.159 -15.699 2.983 1.00 0.00 H new ATOM 0 HA SER A 15 -2.282 -16.362 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.410 -16.576 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.995 -17.584 5.789 1.00 0.00 H new ATOM 0 HG SER A 15 0.521 -18.584 4.326 1.00 0.00 H new ATOM 220 N GLU A 16 -2.592 -15.284 6.457 1.00 0.00 N ATOM 221 CA GLU A 16 -2.969 -14.356 7.559 1.00 0.00 C ATOM 222 C GLU A 16 -1.704 -13.752 8.174 1.00 0.00 C ATOM 223 O GLU A 16 -1.610 -12.558 8.380 1.00 0.00 O ATOM 224 CB GLU A 16 -3.739 -15.126 8.634 1.00 0.00 C ATOM 225 CG GLU A 16 -4.941 -14.298 9.092 1.00 0.00 C ATOM 226 CD GLU A 16 -6.110 -14.518 8.129 1.00 0.00 C ATOM 227 OE1 GLU A 16 -6.724 -15.570 8.206 1.00 0.00 O ATOM 228 OE2 GLU A 16 -6.370 -13.632 7.332 1.00 0.00 O ATOM 0 H GLU A 16 -3.070 -16.185 6.466 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.597 -13.558 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.074 -16.085 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.087 -15.339 9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.230 -14.585 10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.677 -13.241 9.124 1.00 0.00 H new ATOM 235 N GLU A 17 -0.730 -14.568 8.469 1.00 0.00 N ATOM 236 CA GLU A 17 0.528 -14.041 9.072 1.00 0.00 C ATOM 237 C GLU A 17 0.977 -12.789 8.314 1.00 0.00 C ATOM 238 O GLU A 17 1.322 -11.785 8.904 1.00 0.00 O ATOM 239 CB GLU A 17 1.620 -15.108 8.981 1.00 0.00 C ATOM 240 CG GLU A 17 1.724 -15.615 7.542 1.00 0.00 C ATOM 241 CD GLU A 17 2.441 -16.965 7.523 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.479 -17.072 8.157 1.00 0.00 O ATOM 243 OE2 GLU A 17 1.941 -17.871 6.876 1.00 0.00 O ATOM 0 H GLU A 17 -0.750 -15.577 8.319 1.00 0.00 H new ATOM 0 HA GLU A 17 0.350 -13.787 10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.576 -14.693 9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.391 -15.935 9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.729 -15.714 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.268 -14.895 6.931 1.00 0.00 H new ATOM 250 N MET A 18 0.983 -12.845 7.010 1.00 0.00 N ATOM 251 CA MET A 18 1.418 -11.663 6.212 1.00 0.00 C ATOM 252 C MET A 18 0.638 -10.421 6.651 1.00 0.00 C ATOM 253 O MET A 18 1.200 -9.475 7.164 1.00 0.00 O ATOM 254 CB MET A 18 1.156 -11.927 4.728 1.00 0.00 C ATOM 255 CG MET A 18 2.375 -12.612 4.109 1.00 0.00 C ATOM 256 SD MET A 18 3.644 -11.373 3.748 1.00 0.00 S ATOM 257 CE MET A 18 4.617 -12.375 2.597 1.00 0.00 C ATOM 0 H MET A 18 0.705 -13.659 6.462 1.00 0.00 H new ATOM 0 HA MET A 18 2.483 -11.494 6.374 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.273 -12.555 4.610 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.951 -10.989 4.211 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.769 -13.364 4.793 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.088 -13.132 3.195 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.469 -11.796 2.241 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.974 -13.270 3.106 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.995 -12.663 1.750 1.00 0.00 H new ATOM 267 N ILE A 19 -0.651 -10.412 6.449 1.00 0.00 N ATOM 268 CA ILE A 19 -1.462 -9.225 6.850 1.00 0.00 C ATOM 269 C ILE A 19 -1.178 -8.875 8.311 1.00 0.00 C ATOM 270 O ILE A 19 -1.427 -7.771 8.754 1.00 0.00 O ATOM 271 CB ILE A 19 -2.949 -9.543 6.684 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.212 -10.028 5.257 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.774 -8.284 6.955 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.360 -11.550 5.257 1.00 0.00 C ATOM 0 H ILE A 19 -1.179 -11.174 6.024 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.196 -8.378 6.217 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.234 -10.323 7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.117 -9.564 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.392 -9.731 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.834 -8.511 6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.588 -7.939 7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.489 -7.503 6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.547 -11.897 4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.443 -12.005 5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.195 -11.834 5.897 1.00 0.00 H new ATOM 286 N ALA A 20 -0.666 -9.807 9.066 1.00 0.00 N ATOM 287 CA ALA A 20 -0.373 -9.530 10.502 1.00 0.00 C ATOM 288 C ALA A 20 0.886 -8.664 10.621 1.00 0.00 C ATOM 289 O ALA A 20 0.958 -7.771 11.442 1.00 0.00 O ATOM 290 CB ALA A 20 -0.155 -10.852 11.238 1.00 0.00 C ATOM 0 H ALA A 20 -0.437 -10.750 8.751 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.215 -8.998 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.059 -10.653 12.288 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.054 -11.464 11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.685 -11.383 10.791 1.00 0.00 H new ATOM 296 N GLU A 21 1.880 -8.925 9.817 1.00 0.00 N ATOM 297 CA GLU A 21 3.134 -8.120 9.896 1.00 0.00 C ATOM 298 C GLU A 21 2.983 -6.836 9.076 1.00 0.00 C ATOM 299 O GLU A 21 3.707 -5.878 9.270 1.00 0.00 O ATOM 300 CB GLU A 21 4.300 -8.941 9.343 1.00 0.00 C ATOM 301 CG GLU A 21 4.798 -9.910 10.418 1.00 0.00 C ATOM 302 CD GLU A 21 5.857 -9.217 11.278 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.447 -8.263 10.801 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.059 -9.655 12.398 1.00 0.00 O ATOM 0 H GLU A 21 1.879 -9.660 9.109 1.00 0.00 H new ATOM 0 HA GLU A 21 3.327 -7.860 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.982 -9.494 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.109 -8.280 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.966 -10.238 11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.218 -10.802 9.953 1.00 0.00 H new ATOM 311 N PHE A 22 2.054 -6.805 8.162 1.00 0.00 N ATOM 312 CA PHE A 22 1.867 -5.581 7.331 1.00 0.00 C ATOM 313 C PHE A 22 1.062 -4.546 8.120 1.00 0.00 C ATOM 314 O PHE A 22 1.071 -3.370 7.812 1.00 0.00 O ATOM 315 CB PHE A 22 1.110 -5.943 6.052 1.00 0.00 C ATOM 316 CG PHE A 22 2.095 -6.291 4.963 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.171 -5.436 4.692 1.00 0.00 C ATOM 318 CD2 PHE A 22 1.934 -7.468 4.223 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.084 -5.758 3.681 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.846 -7.791 3.212 1.00 0.00 C ATOM 321 CZ PHE A 22 3.923 -6.936 2.941 1.00 0.00 C ATOM 0 H PHE A 22 1.416 -7.573 7.954 1.00 0.00 H new ATOM 0 HA PHE A 22 2.842 -5.166 7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.444 -6.786 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.485 -5.107 5.738 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.296 -4.528 5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.105 -8.128 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.913 -5.098 3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.720 -8.699 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.628 -7.185 2.162 1.00 0.00 H new ATOM 331 N LYS A 23 0.362 -4.974 9.134 1.00 0.00 N ATOM 332 CA LYS A 23 -0.447 -4.019 9.941 1.00 0.00 C ATOM 333 C LYS A 23 0.478 -3.012 10.626 1.00 0.00 C ATOM 334 O LYS A 23 0.271 -1.817 10.559 1.00 0.00 O ATOM 335 CB LYS A 23 -1.231 -4.791 11.003 1.00 0.00 C ATOM 336 CG LYS A 23 -2.579 -4.108 11.242 1.00 0.00 C ATOM 337 CD LYS A 23 -3.690 -5.158 11.236 1.00 0.00 C ATOM 338 CE LYS A 23 -3.495 -6.114 12.414 1.00 0.00 C ATOM 339 NZ LYS A 23 -2.785 -7.340 11.949 1.00 0.00 N ATOM 0 H LYS A 23 0.316 -5.946 9.439 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.139 -3.488 9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.386 -5.820 10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.662 -4.831 11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.568 -3.581 12.196 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.764 -3.363 10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.664 -4.673 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.676 -5.713 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.921 -5.625 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.461 -6.381 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.310 -8.183 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.722 -7.332 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.827 -7.361 12.354 1.00 0.00 H new ATOM 353 N ALA A 24 1.497 -3.486 11.290 1.00 0.00 N ATOM 354 CA ALA A 24 2.432 -2.556 11.982 1.00 0.00 C ATOM 355 C ALA A 24 3.469 -2.034 10.985 1.00 0.00 C ATOM 356 O ALA A 24 4.409 -1.359 11.350 1.00 0.00 O ATOM 357 CB ALA A 24 3.140 -3.297 13.117 1.00 0.00 C ATOM 0 H ALA A 24 1.722 -4.477 11.383 1.00 0.00 H new ATOM 0 HA ALA A 24 1.871 -1.716 12.391 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.825 -2.617 13.624 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.401 -3.665 13.828 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.700 -4.138 12.709 1.00 0.00 H new ATOM 363 N ALA A 25 3.306 -2.341 9.727 1.00 0.00 N ATOM 364 CA ALA A 25 4.283 -1.861 8.709 1.00 0.00 C ATOM 365 C ALA A 25 3.833 -0.502 8.167 1.00 0.00 C ATOM 366 O ALA A 25 4.460 0.510 8.406 1.00 0.00 O ATOM 367 CB ALA A 25 4.356 -2.869 7.559 1.00 0.00 C ATOM 0 H ALA A 25 2.538 -2.904 9.360 1.00 0.00 H new ATOM 0 HA ALA A 25 5.266 -1.760 9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.070 -2.519 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.677 -3.837 7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.372 -2.969 7.100 1.00 0.00 H new ATOM 373 N PHE A 26 2.750 -0.472 7.439 1.00 0.00 N ATOM 374 CA PHE A 26 2.259 0.820 6.881 1.00 0.00 C ATOM 375 C PHE A 26 1.614 1.650 7.993 1.00 0.00 C ATOM 376 O PHE A 26 1.489 2.853 7.887 1.00 0.00 O ATOM 377 CB PHE A 26 1.230 0.542 5.789 1.00 0.00 C ATOM 378 CG PHE A 26 1.574 1.366 4.574 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.564 0.926 3.688 1.00 0.00 C ATOM 380 CD2 PHE A 26 0.910 2.573 4.337 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.887 1.694 2.563 1.00 0.00 C ATOM 382 CE2 PHE A 26 1.234 3.340 3.216 1.00 0.00 C ATOM 383 CZ PHE A 26 2.223 2.902 2.327 1.00 0.00 C ATOM 0 H PHE A 26 2.183 -1.288 7.206 1.00 0.00 H new ATOM 0 HA PHE A 26 3.098 1.374 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.225 -0.518 5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.229 0.790 6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.079 -0.006 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.146 2.912 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.649 1.354 1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.721 4.273 3.034 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.473 3.496 1.460 1.00 0.00 H new ATOM 393 N ASP A 27 1.205 1.019 9.058 1.00 0.00 N ATOM 394 CA ASP A 27 0.568 1.775 10.173 1.00 0.00 C ATOM 395 C ASP A 27 1.655 2.347 11.088 1.00 0.00 C ATOM 396 O ASP A 27 1.370 2.914 12.125 1.00 0.00 O ATOM 397 CB ASP A 27 -0.333 0.838 10.977 1.00 0.00 C ATOM 398 CG ASP A 27 -1.518 1.626 11.540 1.00 0.00 C ATOM 399 OD1 ASP A 27 -2.196 2.276 10.762 1.00 0.00 O ATOM 400 OD2 ASP A 27 -1.725 1.567 12.741 1.00 0.00 O ATOM 0 H ASP A 27 1.284 0.013 9.205 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.029 2.590 9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.691 0.027 10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.232 0.381 11.789 1.00 0.00 H new ATOM 405 N MET A 28 2.895 2.201 10.715 1.00 0.00 N ATOM 406 CA MET A 28 3.996 2.735 11.565 1.00 0.00 C ATOM 407 C MET A 28 3.726 4.206 11.890 1.00 0.00 C ATOM 408 O MET A 28 3.915 4.650 13.005 1.00 0.00 O ATOM 409 CB MET A 28 5.324 2.615 10.815 1.00 0.00 C ATOM 410 CG MET A 28 6.278 1.721 11.609 1.00 0.00 C ATOM 411 SD MET A 28 7.645 2.719 12.247 1.00 0.00 S ATOM 412 CE MET A 28 8.706 2.613 10.785 1.00 0.00 C ATOM 0 H MET A 28 3.194 1.735 9.858 1.00 0.00 H new ATOM 0 HA MET A 28 4.048 2.163 12.491 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.157 2.196 9.823 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.765 3.602 10.674 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.746 1.244 12.432 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.661 0.924 10.972 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.626 3.171 10.962 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.947 1.569 10.586 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.185 3.035 9.926 1.00 0.00 H new ATOM 422 N PHE A 29 3.286 4.967 10.925 1.00 0.00 N ATOM 423 CA PHE A 29 3.008 6.409 11.181 1.00 0.00 C ATOM 424 C PHE A 29 1.580 6.570 11.709 1.00 0.00 C ATOM 425 O PHE A 29 1.367 6.864 12.869 1.00 0.00 O ATOM 426 CB PHE A 29 3.159 7.196 9.878 1.00 0.00 C ATOM 427 CG PHE A 29 3.619 8.600 10.187 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.808 8.804 10.898 1.00 0.00 C ATOM 429 CD2 PHE A 29 2.858 9.696 9.765 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.235 10.106 11.186 1.00 0.00 C ATOM 431 CE2 PHE A 29 3.286 10.998 10.053 1.00 0.00 C ATOM 432 CZ PHE A 29 4.474 11.203 10.764 1.00 0.00 C ATOM 0 H PHE A 29 3.107 4.653 9.971 1.00 0.00 H new ATOM 0 HA PHE A 29 3.714 6.788 11.920 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.878 6.702 9.224 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.209 7.223 9.345 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.395 7.958 11.224 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.941 9.538 9.217 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.152 10.264 11.734 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.699 11.844 9.726 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.804 12.207 10.987 1.00 0.00 H new ATOM 442 N ASP A 30 0.602 6.383 10.867 1.00 0.00 N ATOM 443 CA ASP A 30 -0.810 6.528 11.320 1.00 0.00 C ATOM 444 C ASP A 30 -1.176 5.356 12.231 1.00 0.00 C ATOM 445 O ASP A 30 -1.496 4.278 11.772 1.00 0.00 O ATOM 446 CB ASP A 30 -1.735 6.537 10.102 1.00 0.00 C ATOM 447 CG ASP A 30 -2.200 7.968 9.824 1.00 0.00 C ATOM 448 OD1 ASP A 30 -1.442 8.710 9.220 1.00 0.00 O ATOM 449 OD2 ASP A 30 -3.305 8.299 10.221 1.00 0.00 O ATOM 0 H ASP A 30 0.719 6.136 9.884 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.923 7.463 11.870 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.213 6.138 9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.595 5.892 10.281 1.00 0.00 H new ATOM 454 N ALA A 31 -1.131 5.556 13.519 1.00 0.00 N ATOM 455 CA ALA A 31 -1.476 4.452 14.458 1.00 0.00 C ATOM 456 C ALA A 31 -2.362 4.994 15.582 1.00 0.00 C ATOM 457 O ALA A 31 -2.590 4.336 16.577 1.00 0.00 O ATOM 458 CB ALA A 31 -0.191 3.872 15.054 1.00 0.00 C ATOM 0 H ALA A 31 -0.870 6.437 13.962 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.013 3.671 13.920 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.441 3.064 15.741 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.439 3.485 14.253 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.345 4.653 15.592 1.00 0.00 H new ATOM 464 N ASP A 32 -2.864 6.189 15.431 1.00 0.00 N ATOM 465 CA ASP A 32 -3.734 6.770 16.492 1.00 0.00 C ATOM 466 C ASP A 32 -4.795 7.668 15.849 1.00 0.00 C ATOM 467 O ASP A 32 -4.983 8.802 16.242 1.00 0.00 O ATOM 468 CB ASP A 32 -2.881 7.601 17.452 1.00 0.00 C ATOM 469 CG ASP A 32 -2.053 8.611 16.657 1.00 0.00 C ATOM 470 OD1 ASP A 32 -1.157 8.184 15.947 1.00 0.00 O ATOM 471 OD2 ASP A 32 -2.330 9.794 16.769 1.00 0.00 O ATOM 0 H ASP A 32 -2.709 6.787 14.620 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.222 5.965 17.041 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.520 8.121 18.166 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.224 6.949 18.028 1.00 0.00 H new ATOM 476 N GLY A 33 -5.491 7.169 14.865 1.00 0.00 N ATOM 477 CA GLY A 33 -6.537 7.995 14.198 1.00 0.00 C ATOM 478 C GLY A 33 -7.383 7.105 13.286 1.00 0.00 C ATOM 479 O GLY A 33 -8.542 6.855 13.548 1.00 0.00 O ATOM 0 H GLY A 33 -5.381 6.225 14.494 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.169 8.474 14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.072 8.791 13.617 1.00 0.00 H new ATOM 483 N GLY A 34 -6.811 6.624 12.216 1.00 0.00 N ATOM 484 CA GLY A 34 -7.584 5.751 11.288 1.00 0.00 C ATOM 485 C GLY A 34 -6.645 4.726 10.649 1.00 0.00 C ATOM 486 O GLY A 34 -6.987 3.570 10.493 1.00 0.00 O ATOM 0 H GLY A 34 -5.843 6.798 11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.381 5.242 11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.060 6.355 10.515 1.00 0.00 H new ATOM 490 N GLY A 35 -5.465 5.139 10.277 1.00 0.00 N ATOM 491 CA GLY A 35 -4.509 4.187 9.647 1.00 0.00 C ATOM 492 C GLY A 35 -4.400 4.489 8.152 1.00 0.00 C ATOM 493 O GLY A 35 -4.885 3.747 7.322 1.00 0.00 O ATOM 0 H GLY A 35 -5.122 6.094 10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.530 4.273 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.847 3.162 9.798 1.00 0.00 H new ATOM 497 N ASP A 36 -3.771 5.577 7.802 1.00 0.00 N ATOM 498 CA ASP A 36 -3.635 5.924 6.361 1.00 0.00 C ATOM 499 C ASP A 36 -2.676 7.107 6.209 1.00 0.00 C ATOM 500 O ASP A 36 -2.636 7.998 7.033 1.00 0.00 O ATOM 501 CB ASP A 36 -5.005 6.304 5.797 1.00 0.00 C ATOM 502 CG ASP A 36 -5.648 7.367 6.690 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.957 7.888 7.549 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.822 7.642 6.498 1.00 0.00 O ATOM 0 H ASP A 36 -3.346 6.239 8.451 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.242 5.065 5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.899 6.683 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.645 5.423 5.743 1.00 0.00 H new ATOM 509 N ILE A 37 -1.903 7.120 5.158 1.00 0.00 N ATOM 510 CA ILE A 37 -0.946 8.243 4.948 1.00 0.00 C ATOM 511 C ILE A 37 -1.364 9.035 3.709 1.00 0.00 C ATOM 512 O ILE A 37 -1.804 8.477 2.723 1.00 0.00 O ATOM 513 CB ILE A 37 0.471 7.692 4.747 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.403 6.247 4.236 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.230 7.730 6.076 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.031 5.306 5.387 1.00 0.00 C ATOM 0 H ILE A 37 -1.893 6.401 4.435 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.955 8.893 5.823 1.00 0.00 H new ATOM 0 HB ILE A 37 0.992 8.307 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.334 6.168 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.364 5.956 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.237 7.338 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.289 8.758 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.706 7.121 6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.016 4.281 5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.784 5.375 6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.941 5.591 5.791 1.00 0.00 H new ATOM 528 N SER A 38 -1.228 10.332 3.748 1.00 0.00 N ATOM 529 CA SER A 38 -1.618 11.158 2.569 1.00 0.00 C ATOM 530 C SER A 38 -0.579 10.985 1.460 1.00 0.00 C ATOM 531 O SER A 38 0.301 10.154 1.545 1.00 0.00 O ATOM 532 CB SER A 38 -1.689 12.632 2.973 1.00 0.00 C ATOM 533 OG SER A 38 -1.514 12.746 4.379 1.00 0.00 O ATOM 0 H SER A 38 -0.864 10.856 4.544 1.00 0.00 H new ATOM 0 HA SER A 38 -2.595 10.834 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.918 13.200 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.650 13.055 2.680 1.00 0.00 H new ATOM 0 HG SER A 38 -1.558 13.690 4.639 1.00 0.00 H new ATOM 539 N THR A 39 -0.677 11.765 0.417 1.00 0.00 N ATOM 540 CA THR A 39 0.302 11.645 -0.700 1.00 0.00 C ATOM 541 C THR A 39 1.637 12.269 -0.285 1.00 0.00 C ATOM 542 O THR A 39 2.691 11.834 -0.703 1.00 0.00 O ATOM 543 CB THR A 39 -0.240 12.375 -1.930 1.00 0.00 C ATOM 544 OG1 THR A 39 -1.115 13.414 -1.515 1.00 0.00 O ATOM 545 CG2 THR A 39 -1.001 11.388 -2.813 1.00 0.00 C ATOM 0 H THR A 39 -1.393 12.480 0.291 1.00 0.00 H new ATOM 0 HA THR A 39 0.454 10.592 -0.936 1.00 0.00 H new ATOM 0 HB THR A 39 0.588 12.802 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.462 13.884 -2.302 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.388 11.907 -3.690 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.329 10.591 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.830 10.960 -2.250 1.00 0.00 H new ATOM 553 N LYS A 40 1.600 13.285 0.530 1.00 0.00 N ATOM 554 CA LYS A 40 2.867 13.936 0.966 1.00 0.00 C ATOM 555 C LYS A 40 3.472 13.151 2.132 1.00 0.00 C ATOM 556 O LYS A 40 4.589 13.392 2.543 1.00 0.00 O ATOM 557 CB LYS A 40 2.575 15.372 1.409 1.00 0.00 C ATOM 558 CG LYS A 40 3.875 16.178 1.429 1.00 0.00 C ATOM 559 CD LYS A 40 4.277 16.463 2.879 1.00 0.00 C ATOM 560 CE LYS A 40 3.573 17.730 3.366 1.00 0.00 C ATOM 561 NZ LYS A 40 4.591 18.747 3.753 1.00 0.00 N ATOM 0 H LYS A 40 0.748 13.693 0.913 1.00 0.00 H new ATOM 0 HA LYS A 40 3.574 13.949 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.859 15.834 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.120 15.372 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.666 15.625 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.743 17.114 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.009 15.619 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.358 16.585 2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.929 18.125 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.933 17.499 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.112 19.609 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.188 18.368 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.184 18.975 2.930 1.00 0.00 H new ATOM 575 N GLU A 41 2.740 12.213 2.668 1.00 0.00 N ATOM 576 CA GLU A 41 3.274 11.413 3.807 1.00 0.00 C ATOM 577 C GLU A 41 3.997 10.174 3.274 1.00 0.00 C ATOM 578 O GLU A 41 5.201 10.050 3.386 1.00 0.00 O ATOM 579 CB GLU A 41 2.117 10.984 4.712 1.00 0.00 C ATOM 580 CG GLU A 41 1.310 12.218 5.125 1.00 0.00 C ATOM 581 CD GLU A 41 1.980 12.890 6.324 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.100 13.349 6.173 1.00 0.00 O ATOM 583 OE2 GLU A 41 1.358 12.937 7.374 1.00 0.00 O ATOM 0 H GLU A 41 1.797 11.966 2.367 1.00 0.00 H new ATOM 0 HA GLU A 41 3.977 12.019 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.476 10.275 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.501 10.475 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.245 12.918 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.290 11.930 5.380 1.00 0.00 H new ATOM 590 N LEU A 42 3.273 9.252 2.699 1.00 0.00 N ATOM 591 CA LEU A 42 3.922 8.018 2.166 1.00 0.00 C ATOM 592 C LEU A 42 4.960 8.394 1.102 1.00 0.00 C ATOM 593 O LEU A 42 5.817 7.607 0.754 1.00 0.00 O ATOM 594 CB LEU A 42 2.850 7.090 1.569 1.00 0.00 C ATOM 595 CG LEU A 42 2.579 7.434 0.096 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.646 6.383 -0.505 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.914 8.810 -0.004 1.00 0.00 C ATOM 0 H LEU A 42 2.262 9.299 2.575 1.00 0.00 H new ATOM 0 HA LEU A 42 4.430 7.494 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.176 6.053 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.927 7.179 2.142 1.00 0.00 H new ATOM 0 HG LEU A 42 3.523 7.448 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.452 6.624 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.114 5.401 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.706 6.373 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.725 9.047 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.971 8.799 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.573 9.565 0.426 1.00 0.00 H new ATOM 609 N GLY A 43 4.890 9.590 0.583 1.00 0.00 N ATOM 610 CA GLY A 43 5.873 10.008 -0.457 1.00 0.00 C ATOM 611 C GLY A 43 7.202 10.367 0.210 1.00 0.00 C ATOM 612 O GLY A 43 8.264 10.054 -0.291 1.00 0.00 O ATOM 0 H GLY A 43 4.196 10.294 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.021 9.203 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.489 10.864 -1.011 1.00 0.00 H new ATOM 616 N THR A 44 7.153 11.022 1.337 1.00 0.00 N ATOM 617 CA THR A 44 8.415 11.399 2.034 1.00 0.00 C ATOM 618 C THR A 44 8.928 10.205 2.840 1.00 0.00 C ATOM 619 O THR A 44 10.096 10.121 3.166 1.00 0.00 O ATOM 620 CB THR A 44 8.146 12.576 2.976 1.00 0.00 C ATOM 621 OG1 THR A 44 6.845 12.448 3.530 1.00 0.00 O ATOM 622 CG2 THR A 44 8.245 13.889 2.198 1.00 0.00 C ATOM 0 H THR A 44 6.295 11.312 1.805 1.00 0.00 H new ATOM 0 HA THR A 44 9.165 11.688 1.298 1.00 0.00 H new ATOM 0 HB THR A 44 8.885 12.576 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.203 12.939 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.053 14.725 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.244 13.986 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.508 13.893 1.395 1.00 0.00 H new ATOM 630 N VAL A 45 8.068 9.278 3.161 1.00 0.00 N ATOM 631 CA VAL A 45 8.512 8.090 3.940 1.00 0.00 C ATOM 632 C VAL A 45 9.256 7.134 3.009 1.00 0.00 C ATOM 633 O VAL A 45 10.253 6.544 3.375 1.00 0.00 O ATOM 634 CB VAL A 45 7.292 7.382 4.533 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.755 6.320 5.532 1.00 0.00 C ATOM 636 CG2 VAL A 45 6.410 8.406 5.251 1.00 0.00 C ATOM 0 H VAL A 45 7.078 9.293 2.917 1.00 0.00 H new ATOM 0 HA VAL A 45 9.172 8.405 4.748 1.00 0.00 H new ATOM 0 HB VAL A 45 6.723 6.906 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.886 5.815 5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.386 5.592 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.323 6.796 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.540 7.904 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.980 8.880 6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.081 9.164 4.541 1.00 0.00 H new ATOM 646 N MET A 46 8.781 6.982 1.804 1.00 0.00 N ATOM 647 CA MET A 46 9.463 6.072 0.843 1.00 0.00 C ATOM 648 C MET A 46 10.658 6.803 0.231 1.00 0.00 C ATOM 649 O MET A 46 11.593 6.194 -0.249 1.00 0.00 O ATOM 650 CB MET A 46 8.486 5.671 -0.263 1.00 0.00 C ATOM 651 CG MET A 46 8.166 4.180 -0.147 1.00 0.00 C ATOM 652 SD MET A 46 7.629 3.553 -1.758 1.00 0.00 S ATOM 653 CE MET A 46 6.248 4.699 -1.995 1.00 0.00 C ATOM 0 H MET A 46 7.949 7.449 1.443 1.00 0.00 H new ATOM 0 HA MET A 46 9.805 5.176 1.361 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.570 6.257 -0.184 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.919 5.886 -1.240 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.045 3.633 0.193 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.385 4.021 0.596 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.586 4.315 -2.771 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.694 4.799 -1.062 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.632 5.674 -2.295 1.00 0.00 H new ATOM 663 N ARG A 47 10.637 8.110 0.249 1.00 0.00 N ATOM 664 CA ARG A 47 11.774 8.882 -0.326 1.00 0.00 C ATOM 665 C ARG A 47 12.976 8.781 0.617 1.00 0.00 C ATOM 666 O ARG A 47 14.077 9.171 0.281 1.00 0.00 O ATOM 667 CB ARG A 47 11.373 10.353 -0.479 1.00 0.00 C ATOM 668 CG ARG A 47 11.505 10.784 -1.944 1.00 0.00 C ATOM 669 CD ARG A 47 10.996 12.219 -2.097 1.00 0.00 C ATOM 670 NE ARG A 47 12.047 13.169 -1.630 1.00 0.00 N ATOM 671 CZ ARG A 47 11.739 14.141 -0.814 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.871 13.943 0.142 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.302 15.311 -0.952 1.00 0.00 N ATOM 0 H ARG A 47 9.881 8.675 0.637 1.00 0.00 H new ATOM 0 HA ARG A 47 12.034 8.475 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.347 10.496 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.006 10.978 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.546 10.719 -2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.934 10.113 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.746 12.419 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.083 12.356 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 47 13.010 13.059 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.433 13.028 0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.631 14.703 0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.982 15.465 -1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.062 16.071 -0.315 1.00 0.00 H new ATOM 687 N MET A 48 12.769 8.265 1.799 1.00 0.00 N ATOM 688 CA MET A 48 13.893 8.142 2.771 1.00 0.00 C ATOM 689 C MET A 48 14.963 7.199 2.218 1.00 0.00 C ATOM 690 O MET A 48 15.957 7.628 1.665 1.00 0.00 O ATOM 691 CB MET A 48 13.360 7.586 4.094 1.00 0.00 C ATOM 692 CG MET A 48 13.331 8.700 5.140 1.00 0.00 C ATOM 693 SD MET A 48 12.830 8.012 6.739 1.00 0.00 S ATOM 694 CE MET A 48 11.046 8.009 6.436 1.00 0.00 C ATOM 0 H MET A 48 11.868 7.923 2.134 1.00 0.00 H new ATOM 0 HA MET A 48 14.334 9.125 2.934 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.359 7.179 3.953 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.992 6.767 4.437 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.315 9.162 5.223 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.636 9.482 4.835 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.517 7.892 7.382 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.754 8.951 5.971 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.791 7.182 5.773 1.00 0.00 H new ATOM 704 N LEU A 49 14.775 5.916 2.372 1.00 0.00 N ATOM 705 CA LEU A 49 15.788 4.947 1.866 1.00 0.00 C ATOM 706 C LEU A 49 15.472 4.567 0.418 1.00 0.00 C ATOM 707 O LEU A 49 16.033 3.634 -0.122 1.00 0.00 O ATOM 708 CB LEU A 49 15.768 3.688 2.736 1.00 0.00 C ATOM 709 CG LEU A 49 14.404 3.005 2.616 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.599 1.523 2.294 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.649 3.143 3.939 1.00 0.00 C ATOM 0 H LEU A 49 13.963 5.497 2.826 1.00 0.00 H new ATOM 0 HA LEU A 49 16.775 5.409 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.557 3.005 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.966 3.949 3.776 1.00 0.00 H new ATOM 0 HG LEU A 49 13.831 3.477 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.626 1.038 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.138 1.423 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.172 1.050 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.677 2.657 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.223 2.671 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.508 4.199 4.169 1.00 0.00 H new ATOM 723 N GLY A 50 14.579 5.275 -0.218 1.00 0.00 N ATOM 724 CA GLY A 50 14.241 4.937 -1.629 1.00 0.00 C ATOM 725 C GLY A 50 14.048 6.216 -2.452 1.00 0.00 C ATOM 726 O GLY A 50 13.697 6.133 -3.594 1.00 0.00 O ATOM 0 H GLY A 50 14.072 6.068 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.036 4.332 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.331 4.337 -1.658 1.00 0.00 H new ATOM 730 N GLN A 51 14.283 7.363 -1.834 1.00 0.00 N ATOM 731 CA GLN A 51 14.122 8.741 -2.440 1.00 0.00 C ATOM 732 C GLN A 51 13.412 8.775 -3.795 1.00 0.00 C ATOM 733 O GLN A 51 12.428 9.467 -3.923 1.00 0.00 O ATOM 734 CB GLN A 51 15.490 9.380 -2.609 1.00 0.00 C ATOM 735 CG GLN A 51 15.275 10.791 -3.137 1.00 0.00 C ATOM 736 CD GLN A 51 16.624 11.438 -3.456 1.00 0.00 C ATOM 737 OE1 GLN A 51 17.426 10.875 -4.173 1.00 0.00 O ATOM 738 NE2 GLN A 51 16.909 12.606 -2.949 1.00 0.00 N ATOM 0 H GLN A 51 14.602 7.397 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 51 13.487 9.288 -1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 51 16.022 9.404 -1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.101 8.801 -3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.654 10.763 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.741 11.388 -2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.235 13.079 -2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 51 17.806 13.046 -3.155 1.00 0.00 H new ATOM 747 N ASN A 52 13.867 8.050 -4.788 1.00 0.00 N ATOM 748 CA ASN A 52 13.168 8.041 -6.122 1.00 0.00 C ATOM 749 C ASN A 52 11.717 8.542 -6.022 1.00 0.00 C ATOM 750 O ASN A 52 11.340 9.433 -6.756 1.00 0.00 O ATOM 751 CB ASN A 52 13.183 6.623 -6.699 1.00 0.00 C ATOM 752 CG ASN A 52 14.533 6.357 -7.369 1.00 0.00 C ATOM 753 OD1 ASN A 52 14.815 6.888 -8.424 1.00 0.00 O ATOM 754 ND2 ASN A 52 15.385 5.552 -6.795 1.00 0.00 N ATOM 0 H ASN A 52 14.697 7.459 -4.736 1.00 0.00 H new ATOM 0 HA ASN A 52 13.706 8.723 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.009 5.895 -5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.377 6.505 -7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.288 5.369 -7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.148 5.106 -5.909 1.00 0.00 H new ATOM 761 N PRO A 53 10.947 8.006 -5.101 1.00 0.00 N ATOM 762 CA PRO A 53 9.564 8.455 -4.896 1.00 0.00 C ATOM 763 C PRO A 53 9.496 9.954 -4.584 1.00 0.00 C ATOM 764 O PRO A 53 10.500 10.634 -4.522 1.00 0.00 O ATOM 765 CB PRO A 53 9.083 7.583 -3.733 1.00 0.00 C ATOM 766 CG PRO A 53 10.327 7.027 -3.052 1.00 0.00 C ATOM 767 CD PRO A 53 11.359 6.936 -4.165 1.00 0.00 C ATOM 0 HA PRO A 53 8.937 8.345 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.488 8.168 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.447 6.775 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.666 7.681 -2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.134 6.050 -2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.370 7.097 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.349 5.957 -4.644 1.00 0.00 H new ATOM 775 N THR A 54 8.308 10.478 -4.425 1.00 0.00 N ATOM 776 CA THR A 54 8.159 11.935 -4.154 1.00 0.00 C ATOM 777 C THR A 54 6.715 12.225 -3.737 1.00 0.00 C ATOM 778 O THR A 54 5.859 11.365 -3.804 1.00 0.00 O ATOM 779 CB THR A 54 8.463 12.706 -5.441 1.00 0.00 C ATOM 780 OG1 THR A 54 9.727 12.303 -5.948 1.00 0.00 O ATOM 781 CG2 THR A 54 8.477 14.207 -5.166 1.00 0.00 C ATOM 0 H THR A 54 7.433 9.956 -4.472 1.00 0.00 H new ATOM 0 HA THR A 54 8.842 12.237 -3.360 1.00 0.00 H new ATOM 0 HB THR A 54 7.688 12.489 -6.176 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.321 12.075 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.694 14.744 -6.089 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.503 14.517 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.244 14.434 -4.425 1.00 0.00 H new ATOM 789 N LYS A 55 6.431 13.429 -3.321 1.00 0.00 N ATOM 790 CA LYS A 55 5.038 13.761 -2.919 1.00 0.00 C ATOM 791 C LYS A 55 4.116 13.566 -4.117 1.00 0.00 C ATOM 792 O LYS A 55 3.025 13.044 -4.000 1.00 0.00 O ATOM 793 CB LYS A 55 4.960 15.220 -2.471 1.00 0.00 C ATOM 794 CG LYS A 55 3.503 15.584 -2.172 1.00 0.00 C ATOM 795 CD LYS A 55 3.353 17.106 -2.122 1.00 0.00 C ATOM 796 CE LYS A 55 1.869 17.471 -2.052 1.00 0.00 C ATOM 797 NZ LYS A 55 1.392 17.881 -3.404 1.00 0.00 N ATOM 0 H LYS A 55 7.102 14.193 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 55 4.736 13.111 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.574 15.372 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.357 15.872 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.849 15.169 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.196 15.147 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.878 17.505 -1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.808 17.556 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.291 16.619 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.716 18.282 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.383 18.129 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.936 18.706 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.524 17.095 -4.072 1.00 0.00 H new ATOM 811 N GLU A 56 4.548 13.989 -5.273 1.00 0.00 N ATOM 812 CA GLU A 56 3.698 13.833 -6.481 1.00 0.00 C ATOM 813 C GLU A 56 4.003 12.492 -7.146 1.00 0.00 C ATOM 814 O GLU A 56 3.177 11.930 -7.836 1.00 0.00 O ATOM 815 CB GLU A 56 3.986 14.972 -7.462 1.00 0.00 C ATOM 816 CG GLU A 56 5.433 14.876 -7.951 1.00 0.00 C ATOM 817 CD GLU A 56 5.623 15.791 -9.163 1.00 0.00 C ATOM 818 OE1 GLU A 56 4.772 15.765 -10.038 1.00 0.00 O ATOM 819 OE2 GLU A 56 6.614 16.502 -9.194 1.00 0.00 O ATOM 0 H GLU A 56 5.452 14.435 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 56 2.647 13.864 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.301 14.918 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.819 15.934 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.118 15.164 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.670 13.846 -8.218 1.00 0.00 H new ATOM 826 N GLU A 57 5.183 11.969 -6.944 1.00 0.00 N ATOM 827 CA GLU A 57 5.524 10.661 -7.566 1.00 0.00 C ATOM 828 C GLU A 57 4.655 9.570 -6.937 1.00 0.00 C ATOM 829 O GLU A 57 4.412 8.537 -7.529 1.00 0.00 O ATOM 830 CB GLU A 57 7.002 10.341 -7.334 1.00 0.00 C ATOM 831 CG GLU A 57 7.454 9.271 -8.331 1.00 0.00 C ATOM 832 CD GLU A 57 7.438 7.899 -7.655 1.00 0.00 C ATOM 833 OE1 GLU A 57 6.476 7.614 -6.960 1.00 0.00 O ATOM 834 OE2 GLU A 57 8.387 7.157 -7.844 1.00 0.00 O ATOM 0 H GLU A 57 5.920 12.390 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 57 5.339 10.708 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.603 11.242 -7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.153 9.990 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.795 9.267 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.457 9.497 -8.693 1.00 0.00 H new ATOM 841 N LEU A 58 4.176 9.798 -5.742 1.00 0.00 N ATOM 842 CA LEU A 58 3.314 8.781 -5.075 1.00 0.00 C ATOM 843 C LEU A 58 1.881 8.930 -5.586 1.00 0.00 C ATOM 844 O LEU A 58 1.046 8.070 -5.386 1.00 0.00 O ATOM 845 CB LEU A 58 3.346 8.998 -3.560 1.00 0.00 C ATOM 846 CG LEU A 58 4.424 8.110 -2.938 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.094 6.640 -3.204 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.781 8.446 -3.560 1.00 0.00 C ATOM 0 H LEU A 58 4.345 10.645 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 58 3.681 7.780 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.550 10.045 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.373 8.763 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 58 4.461 8.285 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.863 6.008 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.127 6.399 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.056 6.464 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.551 7.814 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.742 8.271 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.019 9.493 -3.371 1.00 0.00 H new ATOM 860 N ASP A 59 1.591 10.016 -6.247 1.00 0.00 N ATOM 861 CA ASP A 59 0.214 10.225 -6.775 1.00 0.00 C ATOM 862 C ASP A 59 0.002 9.338 -8.005 1.00 0.00 C ATOM 863 O ASP A 59 -1.098 8.911 -8.291 1.00 0.00 O ATOM 864 CB ASP A 59 0.035 11.692 -7.170 1.00 0.00 C ATOM 865 CG ASP A 59 -1.455 12.002 -7.321 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.245 11.355 -6.653 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.781 12.880 -8.103 1.00 0.00 O ATOM 0 H ASP A 59 2.250 10.769 -6.445 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.513 9.965 -6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.477 12.340 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.556 11.894 -8.106 1.00 0.00 H new ATOM 872 N ALA A 60 1.049 9.058 -8.735 1.00 0.00 N ATOM 873 CA ALA A 60 0.907 8.200 -9.946 1.00 0.00 C ATOM 874 C ALA A 60 0.482 6.793 -9.525 1.00 0.00 C ATOM 875 O ALA A 60 -0.479 6.250 -10.030 1.00 0.00 O ATOM 876 CB ALA A 60 2.246 8.131 -10.684 1.00 0.00 C ATOM 0 H ALA A 60 1.996 9.387 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 60 0.152 8.625 -10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.142 7.504 -11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.548 9.134 -10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.003 7.706 -10.025 1.00 0.00 H new ATOM 882 N ILE A 61 1.182 6.201 -8.598 1.00 0.00 N ATOM 883 CA ILE A 61 0.799 4.834 -8.147 1.00 0.00 C ATOM 884 C ILE A 61 -0.508 4.930 -7.366 1.00 0.00 C ATOM 885 O ILE A 61 -1.266 3.984 -7.278 1.00 0.00 O ATOM 886 CB ILE A 61 1.884 4.250 -7.239 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.247 4.830 -7.614 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.922 2.732 -7.400 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.654 5.861 -6.564 1.00 0.00 C ATOM 0 H ILE A 61 1.998 6.602 -8.135 1.00 0.00 H new ATOM 0 HA ILE A 61 0.681 4.186 -9.015 1.00 0.00 H new ATOM 0 HB ILE A 61 1.656 4.505 -6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.992 4.036 -7.670 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.201 5.294 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.695 2.317 -6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.954 2.313 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.144 2.482 -8.437 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.626 6.280 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.912 6.659 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.715 5.381 -5.587 1.00 0.00 H new ATOM 901 N ILE A 62 -0.777 6.073 -6.798 1.00 0.00 N ATOM 902 CA ILE A 62 -2.031 6.239 -6.021 1.00 0.00 C ATOM 903 C ILE A 62 -3.195 6.479 -6.984 1.00 0.00 C ATOM 904 O ILE A 62 -4.347 6.323 -6.634 1.00 0.00 O ATOM 905 CB ILE A 62 -1.888 7.431 -5.072 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.012 7.029 -3.886 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.268 7.855 -4.561 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.815 8.235 -2.970 1.00 0.00 C ATOM 0 H ILE A 62 -0.180 6.899 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.225 5.338 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.429 8.264 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.479 6.212 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.047 6.665 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.161 8.704 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.897 8.139 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.730 7.024 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.190 7.951 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.330 9.038 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.784 8.578 -2.607 1.00 0.00 H new ATOM 920 N GLU A 63 -2.909 6.858 -8.197 1.00 0.00 N ATOM 921 CA GLU A 63 -4.007 7.100 -9.173 1.00 0.00 C ATOM 922 C GLU A 63 -4.647 5.760 -9.541 1.00 0.00 C ATOM 923 O GLU A 63 -5.833 5.671 -9.786 1.00 0.00 O ATOM 924 CB GLU A 63 -3.441 7.758 -10.434 1.00 0.00 C ATOM 925 CG GLU A 63 -4.592 8.238 -11.320 1.00 0.00 C ATOM 926 CD GLU A 63 -4.032 8.783 -12.636 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.628 9.933 -12.654 1.00 0.00 O ATOM 928 OE2 GLU A 63 -4.017 8.038 -13.601 1.00 0.00 O ATOM 0 H GLU A 63 -1.966 7.010 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.753 7.759 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.802 8.598 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.820 7.048 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.279 7.416 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.161 9.013 -10.806 1.00 0.00 H new ATOM 935 N GLU A 64 -3.865 4.716 -9.581 1.00 0.00 N ATOM 936 CA GLU A 64 -4.418 3.378 -9.933 1.00 0.00 C ATOM 937 C GLU A 64 -4.870 2.649 -8.662 1.00 0.00 C ATOM 938 O GLU A 64 -4.856 1.436 -8.596 1.00 0.00 O ATOM 939 CB GLU A 64 -3.340 2.550 -10.635 1.00 0.00 C ATOM 940 CG GLU A 64 -2.173 2.314 -9.674 1.00 0.00 C ATOM 941 CD GLU A 64 -0.929 1.915 -10.470 1.00 0.00 C ATOM 942 OE1 GLU A 64 -0.540 2.675 -11.343 1.00 0.00 O ATOM 943 OE2 GLU A 64 -0.389 0.856 -10.197 1.00 0.00 O ATOM 0 H GLU A 64 -2.864 4.732 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.273 3.508 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.754 1.596 -10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.991 3.069 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.974 3.217 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.428 1.530 -8.961 1.00 0.00 H new ATOM 950 N VAL A 65 -5.276 3.375 -7.654 1.00 0.00 N ATOM 951 CA VAL A 65 -5.731 2.724 -6.401 1.00 0.00 C ATOM 952 C VAL A 65 -6.596 3.715 -5.631 1.00 0.00 C ATOM 953 O VAL A 65 -7.780 3.513 -5.485 1.00 0.00 O ATOM 954 CB VAL A 65 -4.518 2.336 -5.551 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.994 1.710 -4.239 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.661 1.325 -6.316 1.00 0.00 C ATOM 0 H VAL A 65 -5.310 4.394 -7.649 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.303 1.825 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.926 3.226 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.131 1.434 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.605 2.429 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.586 0.820 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.797 1.049 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.253 0.435 -6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.321 1.770 -7.251 1.00 0.00 H new ATOM 966 N ASP A 66 -5.980 4.785 -5.168 1.00 0.00 N ATOM 967 CA ASP A 66 -6.683 5.866 -4.389 1.00 0.00 C ATOM 968 C ASP A 66 -8.158 5.537 -4.151 1.00 0.00 C ATOM 969 O ASP A 66 -9.045 6.251 -4.575 1.00 0.00 O ATOM 970 CB ASP A 66 -6.587 7.178 -5.170 1.00 0.00 C ATOM 971 CG ASP A 66 -7.231 7.000 -6.546 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.569 5.875 -6.879 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.375 7.990 -7.243 1.00 0.00 O ATOM 0 H ASP A 66 -4.984 4.958 -5.303 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.198 5.950 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.088 7.977 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.543 7.473 -5.280 1.00 0.00 H new ATOM 978 N GLU A 67 -8.420 4.457 -3.472 1.00 0.00 N ATOM 979 CA GLU A 67 -9.830 4.065 -3.194 1.00 0.00 C ATOM 980 C GLU A 67 -10.570 5.240 -2.550 1.00 0.00 C ATOM 981 O GLU A 67 -11.548 5.734 -3.075 1.00 0.00 O ATOM 982 CB GLU A 67 -9.846 2.867 -2.241 1.00 0.00 C ATOM 983 CG GLU A 67 -11.293 2.460 -1.952 1.00 0.00 C ATOM 984 CD GLU A 67 -12.057 2.320 -3.270 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.945 1.275 -3.890 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.743 3.261 -3.636 1.00 0.00 O ATOM 0 H GLU A 67 -7.714 3.824 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.323 3.794 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.304 2.031 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.337 3.122 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.314 1.517 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.772 3.207 -1.319 1.00 0.00 H new ATOM 993 N ASP A 68 -10.110 5.690 -1.415 1.00 0.00 N ATOM 994 CA ASP A 68 -10.787 6.832 -0.737 1.00 0.00 C ATOM 995 C ASP A 68 -10.769 8.055 -1.656 1.00 0.00 C ATOM 996 O ASP A 68 -11.554 8.970 -1.503 1.00 0.00 O ATOM 997 CB ASP A 68 -10.051 7.162 0.563 1.00 0.00 C ATOM 998 CG ASP A 68 -10.686 6.389 1.721 1.00 0.00 C ATOM 999 OD1 ASP A 68 -11.843 6.642 2.012 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -10.005 5.557 2.297 1.00 0.00 O ATOM 0 H ASP A 68 -9.295 5.317 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.819 6.561 -0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.997 6.901 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.098 8.233 0.758 1.00 0.00 H new ATOM 1005 N GLY A 69 -9.880 8.079 -2.610 1.00 0.00 N ATOM 1006 CA GLY A 69 -9.812 9.243 -3.538 1.00 0.00 C ATOM 1007 C GLY A 69 -9.478 10.507 -2.745 1.00 0.00 C ATOM 1008 O GLY A 69 -10.166 11.505 -2.829 1.00 0.00 O ATOM 0 H GLY A 69 -9.197 7.342 -2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.054 9.069 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.764 9.366 -4.055 1.00 0.00 H new ATOM 1012 N SER A 70 -8.426 10.474 -1.973 1.00 0.00 N ATOM 1013 CA SER A 70 -8.048 11.674 -1.174 1.00 0.00 C ATOM 1014 C SER A 70 -6.523 11.760 -1.071 1.00 0.00 C ATOM 1015 O SER A 70 -5.986 12.340 -0.149 1.00 0.00 O ATOM 1016 CB SER A 70 -8.648 11.561 0.228 1.00 0.00 C ATOM 1017 OG SER A 70 -8.771 12.860 0.792 1.00 0.00 O ATOM 0 H SER A 70 -7.812 9.667 -1.861 1.00 0.00 H new ATOM 0 HA SER A 70 -8.430 12.571 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.624 11.079 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.014 10.937 0.858 1.00 0.00 H new ATOM 0 HG SER A 70 -7.901 13.311 0.769 1.00 0.00 H new ATOM 1023 N GLY A 71 -5.822 11.186 -2.011 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.333 11.235 -1.966 1.00 0.00 C ATOM 1025 C GLY A 71 -3.838 10.518 -0.709 1.00 0.00 C ATOM 1026 O GLY A 71 -2.976 11.003 -0.004 1.00 0.00 O ATOM 0 H GLY A 71 -6.216 10.686 -2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.916 10.763 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.992 12.270 -1.965 1.00 0.00 H new ATOM 1030 N THR A 72 -4.379 9.367 -0.422 1.00 0.00 N ATOM 1031 CA THR A 72 -3.941 8.618 0.789 1.00 0.00 C ATOM 1032 C THR A 72 -4.190 7.124 0.581 1.00 0.00 C ATOM 1033 O THR A 72 -5.054 6.729 -0.179 1.00 0.00 O ATOM 1034 CB THR A 72 -4.729 9.106 2.012 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.929 8.023 2.908 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.085 9.661 1.570 1.00 0.00 C ATOM 0 H THR A 72 -5.106 8.912 -0.974 1.00 0.00 H new ATOM 0 HA THR A 72 -2.878 8.789 0.956 1.00 0.00 H new ATOM 0 HB THR A 72 -4.165 9.894 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.766 8.156 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.639 10.006 2.443 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.931 10.495 0.885 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.652 8.878 1.066 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.438 6.290 1.243 1.00 0.00 N ATOM 1045 CA ILE A 73 -3.629 4.821 1.078 1.00 0.00 C ATOM 1046 C ILE A 73 -3.574 4.138 2.445 1.00 0.00 C ATOM 1047 O ILE A 73 -2.928 4.608 3.360 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.519 4.263 0.187 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.488 5.035 -1.135 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -2.786 2.783 -0.094 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.600 6.270 -0.984 1.00 0.00 C ATOM 0 H ILE A 73 -2.699 6.561 1.892 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.599 4.631 0.618 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.560 4.370 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.108 4.396 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.498 5.332 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.995 2.385 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.808 2.232 0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.746 2.676 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.578 6.820 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.999 6.911 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.588 5.961 -0.721 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.244 3.028 2.589 1.00 0.00 N ATOM 1064 CA ASP A 74 -4.226 2.310 3.896 1.00 0.00 C ATOM 1065 C ASP A 74 -3.343 1.067 3.774 1.00 0.00 C ATOM 1066 O ASP A 74 -2.625 0.899 2.809 1.00 0.00 O ATOM 1067 CB ASP A 74 -5.650 1.893 4.269 1.00 0.00 C ATOM 1068 CG ASP A 74 -6.455 3.129 4.673 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -6.692 3.963 3.816 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -6.822 3.219 5.834 1.00 0.00 O ATOM 0 H ASP A 74 -4.803 2.587 1.859 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.829 2.966 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.127 1.395 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.627 1.177 5.090 1.00 0.00 H new ATOM 1075 N PHE A 75 -3.389 0.193 4.742 1.00 0.00 N ATOM 1076 CA PHE A 75 -2.547 -1.035 4.668 1.00 0.00 C ATOM 1077 C PHE A 75 -3.306 -2.123 3.895 1.00 0.00 C ATOM 1078 O PHE A 75 -2.720 -3.026 3.334 1.00 0.00 O ATOM 1079 CB PHE A 75 -2.199 -1.505 6.097 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.095 -2.646 6.533 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -4.329 -2.380 7.137 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -2.686 -3.969 6.329 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -5.154 -3.438 7.538 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -3.510 -5.027 6.731 1.00 0.00 C ATOM 1085 CZ PHE A 75 -4.744 -4.761 7.335 1.00 0.00 C ATOM 0 H PHE A 75 -3.970 0.275 5.577 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.616 -0.824 4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.157 -1.823 6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.303 -0.672 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.645 -1.359 7.294 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.734 -4.174 5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.107 -3.233 8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.194 -6.048 6.575 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.380 -5.577 7.645 1.00 0.00 H new ATOM 1095 N GLU A 76 -4.608 -2.041 3.863 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.400 -3.065 3.128 1.00 0.00 C ATOM 1097 C GLU A 76 -5.590 -2.618 1.676 1.00 0.00 C ATOM 1098 O GLU A 76 -6.061 -3.366 0.843 1.00 0.00 O ATOM 1099 CB GLU A 76 -6.767 -3.228 3.795 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.368 -4.578 3.400 1.00 0.00 C ATOM 1101 CD GLU A 76 -8.366 -5.027 4.470 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -8.510 -4.321 5.453 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -8.969 -6.073 4.286 1.00 0.00 O ATOM 0 H GLU A 76 -5.157 -1.309 4.314 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.870 -4.017 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.665 -3.166 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.431 -2.419 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.867 -4.497 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.578 -5.321 3.290 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.227 -1.403 1.368 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.387 -0.909 -0.028 1.00 0.00 C ATOM 1112 C GLU A 77 -4.138 -1.254 -0.839 1.00 0.00 C ATOM 1113 O GLU A 77 -4.215 -1.876 -1.879 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.585 0.609 -0.013 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.641 0.976 1.032 1.00 0.00 C ATOM 1116 CD GLU A 77 -8.036 0.848 0.420 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -8.250 -0.094 -0.327 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -8.868 1.693 0.708 1.00 0.00 O ATOM 0 H GLU A 77 -4.827 -0.731 2.023 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.256 -1.384 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.643 1.107 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.897 0.955 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.552 0.321 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.480 1.995 1.384 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.985 -0.860 -0.373 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.737 -1.174 -1.123 1.00 0.00 C ATOM 1127 C PHE A 78 -1.370 -2.646 -0.904 1.00 0.00 C ATOM 1128 O PHE A 78 -0.450 -3.163 -1.509 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.602 -0.256 -0.643 1.00 0.00 C ATOM 1130 CG PHE A 78 0.051 -0.819 0.601 1.00 0.00 C ATOM 1131 CD1 PHE A 78 -0.720 -1.479 1.566 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.431 -0.678 0.786 1.00 0.00 C ATOM 1133 CE1 PHE A 78 -0.110 -1.997 2.714 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.042 -1.198 1.934 1.00 0.00 C ATOM 1135 CZ PHE A 78 1.271 -1.857 2.897 1.00 0.00 C ATOM 0 H PHE A 78 -2.853 -0.336 0.492 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.893 -1.005 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.142 -0.146 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.996 0.739 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.785 -1.588 1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.025 -0.168 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.705 -2.505 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.107 -1.090 2.075 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.741 -2.258 3.783 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.086 -3.322 -0.047 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.785 -4.759 0.210 1.00 0.00 C ATOM 1147 C LEU A 79 -1.928 -5.544 -1.095 1.00 0.00 C ATOM 1148 O LEU A 79 -1.194 -6.478 -1.355 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.773 -5.307 1.244 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.008 -5.808 2.470 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -3.001 -6.223 3.558 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.150 -7.013 2.077 1.00 0.00 C ATOM 0 H LEU A 79 -2.867 -2.941 0.487 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.768 -4.860 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.478 -4.529 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.356 -6.119 0.810 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.367 -5.012 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.455 -6.580 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.613 -5.366 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.643 -7.019 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.604 -7.371 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.792 -7.809 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.442 -6.718 1.302 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.871 -5.173 -1.916 1.00 0.00 N ATOM 1165 CA VAL A 80 -3.070 -5.894 -3.205 1.00 0.00 C ATOM 1166 C VAL A 80 -1.994 -5.460 -4.205 1.00 0.00 C ATOM 1167 O VAL A 80 -1.624 -6.200 -5.094 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.459 -5.562 -3.760 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.456 -4.149 -4.350 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.826 -6.568 -4.853 1.00 0.00 C ATOM 0 H VAL A 80 -3.514 -4.399 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.993 -6.969 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.190 -5.615 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.446 -3.917 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.197 -3.431 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.723 -4.092 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.814 -6.332 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.092 -6.516 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.834 -7.574 -4.434 1.00 0.00 H new ATOM 1180 N MET A 81 -1.491 -4.263 -4.066 1.00 0.00 N ATOM 1181 CA MET A 81 -0.441 -3.780 -5.008 1.00 0.00 C ATOM 1182 C MET A 81 0.891 -4.459 -4.684 1.00 0.00 C ATOM 1183 O MET A 81 1.755 -4.586 -5.529 1.00 0.00 O ATOM 1184 CB MET A 81 -0.289 -2.264 -4.863 1.00 0.00 C ATOM 1185 CG MET A 81 0.909 -1.788 -5.686 1.00 0.00 C ATOM 1186 SD MET A 81 1.079 0.006 -5.521 1.00 0.00 S ATOM 1187 CE MET A 81 1.115 0.065 -3.713 1.00 0.00 C ATOM 0 H MET A 81 -1.762 -3.599 -3.341 1.00 0.00 H new ATOM 0 HA MET A 81 -0.731 -4.023 -6.030 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.197 -1.763 -5.200 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.150 -2.001 -3.814 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.818 -2.283 -5.345 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.774 -2.056 -6.734 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.716 0.915 -3.389 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.099 0.172 -3.332 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.552 -0.856 -3.328 1.00 0.00 H new ATOM 1197 N MET A 82 1.064 -4.896 -3.467 1.00 0.00 N ATOM 1198 CA MET A 82 2.341 -5.566 -3.093 1.00 0.00 C ATOM 1199 C MET A 82 2.334 -7.007 -3.609 1.00 0.00 C ATOM 1200 O MET A 82 3.340 -7.689 -3.588 1.00 0.00 O ATOM 1201 CB MET A 82 2.486 -5.569 -1.569 1.00 0.00 C ATOM 1202 CG MET A 82 2.791 -4.150 -1.084 1.00 0.00 C ATOM 1203 SD MET A 82 4.125 -4.203 0.138 1.00 0.00 S ATOM 1204 CE MET A 82 5.486 -4.467 -1.025 1.00 0.00 C ATOM 0 H MET A 82 0.377 -4.818 -2.717 1.00 0.00 H new ATOM 0 HA MET A 82 3.178 -5.027 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.569 -5.934 -1.106 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.286 -6.247 -1.270 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.080 -3.521 -1.926 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.898 -3.705 -0.645 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.435 -4.285 -0.521 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.459 -5.494 -1.389 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.384 -3.781 -1.866 1.00 0.00 H new ATOM 1214 N VAL A 83 1.207 -7.475 -4.074 1.00 0.00 N ATOM 1215 CA VAL A 83 1.137 -8.871 -4.591 1.00 0.00 C ATOM 1216 C VAL A 83 1.557 -8.895 -6.062 1.00 0.00 C ATOM 1217 O VAL A 83 2.206 -9.815 -6.518 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.296 -9.391 -4.460 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.339 -10.874 -4.830 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.770 -9.215 -3.015 1.00 0.00 C ATOM 0 H VAL A 83 0.333 -6.951 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 83 1.809 -9.506 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.948 -8.831 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.360 -11.243 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.000 -11.003 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.312 -11.435 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.791 -9.585 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.117 -9.776 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.740 -8.158 -2.749 1.00 0.00 H new ATOM 1230 N ARG A 84 1.191 -7.890 -6.810 1.00 0.00 N ATOM 1231 CA ARG A 84 1.570 -7.856 -8.251 1.00 0.00 C ATOM 1232 C ARG A 84 3.089 -7.972 -8.386 1.00 0.00 C ATOM 1233 O ARG A 84 3.631 -9.048 -8.543 1.00 0.00 O ATOM 1234 CB ARG A 84 1.110 -6.535 -8.868 1.00 0.00 C ATOM 1235 CG ARG A 84 -0.326 -6.678 -9.373 1.00 0.00 C ATOM 1236 CD ARG A 84 -1.233 -5.714 -8.607 1.00 0.00 C ATOM 1237 NE ARG A 84 -2.652 -6.143 -8.754 1.00 0.00 N ATOM 1238 CZ ARG A 84 -3.369 -5.693 -9.747 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -3.873 -4.491 -9.697 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -3.580 -6.446 -10.793 1.00 0.00 N ATOM 0 H ARG A 84 0.646 -7.091 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 84 1.093 -8.689 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.168 -5.737 -8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.769 -6.257 -9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.370 -6.465 -10.441 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.670 -7.703 -9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.955 -5.696 -7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.107 -4.700 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.063 -6.788 -8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.707 -3.902 -8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.433 -4.140 -10.474 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.184 -7.385 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.140 -6.095 -11.570 1.00 0.00 H new ATOM 1254 N GLN A 85 3.781 -6.867 -8.329 1.00 0.00 N ATOM 1255 CA GLN A 85 5.264 -6.906 -8.459 1.00 0.00 C ATOM 1256 C GLN A 85 5.895 -7.103 -7.079 1.00 0.00 C ATOM 1257 O GLN A 85 6.556 -6.227 -6.559 1.00 0.00 O ATOM 1258 CB GLN A 85 5.756 -5.587 -9.061 1.00 0.00 C ATOM 1259 CG GLN A 85 5.274 -5.474 -10.508 1.00 0.00 C ATOM 1260 CD GLN A 85 6.310 -4.712 -11.335 1.00 0.00 C ATOM 1261 OE1 GLN A 85 6.171 -3.527 -11.563 1.00 0.00 O ATOM 1262 NE2 GLN A 85 7.355 -5.347 -11.795 1.00 0.00 N ATOM 0 H GLN A 85 3.382 -5.938 -8.198 1.00 0.00 H new ATOM 0 HA GLN A 85 5.550 -7.733 -9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.383 -4.747 -8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.844 -5.542 -9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.117 -6.467 -10.928 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.315 -4.958 -10.543 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.472 -6.342 -11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.054 -4.848 -12.345 1.00 0.00 H new ATOM 1271 N MET A 86 5.701 -8.248 -6.485 1.00 0.00 N ATOM 1272 CA MET A 86 6.295 -8.498 -5.143 1.00 0.00 C ATOM 1273 C MET A 86 7.808 -8.657 -5.287 1.00 0.00 C ATOM 1274 O MET A 86 8.570 -8.217 -4.449 1.00 0.00 O ATOM 1275 CB MET A 86 5.698 -9.775 -4.543 1.00 0.00 C ATOM 1276 CG MET A 86 6.124 -10.983 -5.380 1.00 0.00 C ATOM 1277 SD MET A 86 5.598 -12.508 -4.556 1.00 0.00 S ATOM 1278 CE MET A 86 3.852 -12.073 -4.360 1.00 0.00 C ATOM 0 H MET A 86 5.157 -9.020 -6.871 1.00 0.00 H new ATOM 0 HA MET A 86 6.075 -7.658 -4.484 1.00 0.00 H new ATOM 0 HB2 MET A 86 6.034 -9.897 -3.513 1.00 0.00 H new ATOM 0 HB3 MET A 86 4.611 -9.703 -4.517 1.00 0.00 H new ATOM 0 HG2 MET A 86 5.681 -10.924 -6.374 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.206 -10.983 -5.512 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.239 -12.968 -4.470 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.693 -11.644 -3.371 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.571 -11.345 -5.121 1.00 0.00 H new ATOM 1288 N LYS A 87 8.250 -9.275 -6.347 1.00 0.00 N ATOM 1289 CA LYS A 87 9.714 -9.451 -6.544 1.00 0.00 C ATOM 1290 C LYS A 87 10.352 -8.078 -6.744 1.00 0.00 C ATOM 1291 O LYS A 87 11.452 -7.823 -6.293 1.00 0.00 O ATOM 1292 CB LYS A 87 9.968 -10.323 -7.775 1.00 0.00 C ATOM 1293 CG LYS A 87 9.349 -9.662 -9.007 1.00 0.00 C ATOM 1294 CD LYS A 87 8.824 -10.743 -9.953 1.00 0.00 C ATOM 1295 CE LYS A 87 7.717 -10.158 -10.831 1.00 0.00 C ATOM 1296 NZ LYS A 87 8.219 -10.007 -12.225 1.00 0.00 N ATOM 0 H LYS A 87 7.661 -9.665 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 87 10.149 -9.937 -5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.039 -10.459 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.538 -11.314 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.537 -8.999 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.092 -9.047 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.635 -11.122 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.441 -11.588 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.843 -10.810 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.400 -9.191 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.467 -9.609 -12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.040 -9.369 -12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.500 -10.937 -12.595 1.00 0.00 H new ATOM 1310 N GLU A 88 9.665 -7.186 -7.403 1.00 0.00 N ATOM 1311 CA GLU A 88 10.231 -5.828 -7.611 1.00 0.00 C ATOM 1312 C GLU A 88 10.620 -5.254 -6.250 1.00 0.00 C ATOM 1313 O GLU A 88 11.641 -4.613 -6.103 1.00 0.00 O ATOM 1314 CB GLU A 88 9.181 -4.927 -8.266 1.00 0.00 C ATOM 1315 CG GLU A 88 9.746 -3.514 -8.422 1.00 0.00 C ATOM 1316 CD GLU A 88 9.450 -2.996 -9.830 1.00 0.00 C ATOM 1317 OE1 GLU A 88 9.492 -3.792 -10.754 1.00 0.00 O ATOM 1318 OE2 GLU A 88 9.186 -1.812 -9.962 1.00 0.00 O ATOM 0 H GLU A 88 8.740 -7.340 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 88 11.105 -5.882 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.900 -5.327 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.277 -4.903 -7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.304 -2.850 -7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.821 -3.520 -8.244 1.00 0.00 H new ATOM 1325 N ASP A 89 9.812 -5.496 -5.251 1.00 0.00 N ATOM 1326 CA ASP A 89 10.124 -4.980 -3.887 1.00 0.00 C ATOM 1327 C ASP A 89 8.942 -5.261 -2.954 1.00 0.00 C ATOM 1328 O ASP A 89 7.977 -4.523 -2.922 1.00 0.00 O ATOM 1329 CB ASP A 89 10.373 -3.471 -3.946 1.00 0.00 C ATOM 1330 CG ASP A 89 10.668 -2.950 -2.538 1.00 0.00 C ATOM 1331 OD1 ASP A 89 9.724 -2.621 -1.840 1.00 0.00 O ATOM 1332 OD2 ASP A 89 11.833 -2.893 -2.183 1.00 0.00 O ATOM 0 H ASP A 89 8.946 -6.031 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 89 11.017 -5.479 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.211 -3.255 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.501 -2.963 -4.359 1.00 0.00 H new ATOM 1337 N ALA A 90 9.008 -6.319 -2.192 1.00 0.00 N ATOM 1338 CA ALA A 90 7.886 -6.637 -1.263 1.00 0.00 C ATOM 1339 C ALA A 90 8.398 -7.514 -0.118 1.00 0.00 C ATOM 1340 O ALA A 90 9.359 -8.235 -0.334 1.00 0.00 O ATOM 1341 CB ALA A 90 6.788 -7.383 -2.023 1.00 0.00 C ATOM 1342 OXT ALA A 90 7.822 -7.450 0.955 1.00 0.00 O ATOM 0 H ALA A 90 9.788 -6.976 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 90 7.482 -5.710 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.968 -7.615 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.419 -6.758 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.193 -8.309 -2.432 1.00 0.00 H new TER 1348 ALA A 90