USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 607 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 SER N :NH3+ -114:sc= 0.141 (180deg=0) USER MOD Single : A 1 SER OG : rot 138:sc= 0.156 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc=-0.00957 F(o=-1.1,f=-0.0096) USER MOD Single : A 37 SER OG : rot 180:sc= -0.465 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 72:sc= 0.0441 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -165:sc= 0.113 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 56 SER OG : rot -36:sc= 0.476 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.753 -9.640 -7.651 1.00 0.00 N ATOM 2 CA SER A 1 -9.990 -8.362 -7.590 1.00 0.00 C ATOM 3 C SER A 1 -8.746 -8.465 -8.473 1.00 0.00 C ATOM 4 O SER A 1 -8.378 -9.534 -8.919 1.00 0.00 O ATOM 5 CB SER A 1 -9.568 -8.089 -6.146 1.00 0.00 C ATOM 6 OG SER A 1 -8.644 -9.086 -5.731 1.00 0.00 O ATOM 0 H1 SER A 1 -11.671 -9.475 -8.111 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.213 -10.341 -8.197 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.909 -9.998 -6.687 1.00 0.00 H new ATOM 0 HA SER A 1 -10.620 -7.547 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.114 -7.101 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.441 -8.091 -5.493 1.00 0.00 H new ATOM 0 HG SER A 1 -7.921 -8.669 -5.218 1.00 0.00 H new ATOM 14 N GLU A 2 -8.095 -7.364 -8.731 1.00 0.00 N ATOM 15 CA GLU A 2 -6.875 -7.402 -9.585 1.00 0.00 C ATOM 16 C GLU A 2 -5.689 -6.826 -8.808 1.00 0.00 C ATOM 17 O GLU A 2 -5.849 -5.986 -7.945 1.00 0.00 O ATOM 18 CB GLU A 2 -7.110 -6.569 -10.847 1.00 0.00 C ATOM 19 CG GLU A 2 -8.508 -6.857 -11.397 1.00 0.00 C ATOM 20 CD GLU A 2 -9.517 -5.903 -10.756 1.00 0.00 C ATOM 21 OE1 GLU A 2 -9.132 -5.191 -9.843 1.00 0.00 O ATOM 22 OE2 GLU A 2 -10.658 -5.898 -11.190 1.00 0.00 O ATOM 0 H GLU A 2 -8.355 -6.440 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.660 -8.433 -9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.009 -5.508 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.356 -6.807 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.516 -6.737 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.786 -7.890 -11.189 1.00 0.00 H new ATOM 29 N ILE A 3 -4.499 -7.273 -9.106 1.00 0.00 N ATOM 30 CA ILE A 3 -3.305 -6.750 -8.385 1.00 0.00 C ATOM 31 C ILE A 3 -2.739 -5.546 -9.140 1.00 0.00 C ATOM 32 O ILE A 3 -2.915 -5.411 -10.334 1.00 0.00 O ATOM 33 CB ILE A 3 -2.241 -7.847 -8.302 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.800 -9.041 -7.525 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.004 -7.306 -7.581 1.00 0.00 C ATOM 36 CD1 ILE A 3 -3.298 -10.101 -8.509 1.00 0.00 C ATOM 0 H ILE A 3 -4.303 -7.977 -9.817 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.592 -6.444 -7.379 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.966 -8.163 -9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.029 -9.462 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.616 -8.718 -6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.246 -8.087 -7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.605 -6.455 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.279 -6.990 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.696 -10.952 -7.956 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.082 -9.676 -9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.471 -10.431 -9.137 1.00 0.00 H new ATOM 48 N ILE A 4 -2.060 -4.669 -8.452 1.00 0.00 N ATOM 49 CA ILE A 4 -1.483 -3.475 -9.132 1.00 0.00 C ATOM 50 C ILE A 4 0.035 -3.464 -8.946 1.00 0.00 C ATOM 51 O ILE A 4 0.537 -3.200 -7.871 1.00 0.00 O ATOM 52 CB ILE A 4 -2.081 -2.204 -8.523 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.584 -2.163 -8.807 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.412 -0.977 -9.144 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.318 -3.052 -7.801 1.00 0.00 C ATOM 0 H ILE A 4 -1.880 -4.728 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.717 -3.514 -10.196 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.913 -2.203 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.950 -1.139 -8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.782 -2.505 -9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.838 -0.072 -8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.341 -1.006 -8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.580 -0.977 -10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.389 -3.023 -8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.959 -4.077 -7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.130 -2.690 -6.790 1.00 0.00 H new ATOM 67 N ARG A 5 0.771 -3.749 -9.985 1.00 0.00 N ATOM 68 CA ARG A 5 2.257 -3.755 -9.867 1.00 0.00 C ATOM 69 C ARG A 5 2.819 -2.459 -10.458 1.00 0.00 C ATOM 70 O ARG A 5 2.113 -1.690 -11.078 1.00 0.00 O ATOM 71 CB ARG A 5 2.825 -4.952 -10.631 1.00 0.00 C ATOM 72 CG ARG A 5 2.408 -4.866 -12.101 1.00 0.00 C ATOM 73 CD ARG A 5 3.570 -5.316 -12.989 1.00 0.00 C ATOM 74 NE ARG A 5 3.583 -4.503 -14.237 1.00 0.00 N ATOM 75 CZ ARG A 5 4.204 -4.945 -15.297 1.00 0.00 C ATOM 76 NH1 ARG A 5 5.144 -5.843 -15.175 1.00 0.00 N ATOM 77 NH2 ARG A 5 3.888 -4.488 -16.478 1.00 0.00 N ATOM 0 H ARG A 5 0.408 -3.978 -10.910 1.00 0.00 H new ATOM 0 HA ARG A 5 2.538 -3.829 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.912 -4.965 -10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.462 -5.882 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.535 -5.494 -12.280 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.121 -3.844 -12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.514 -5.201 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.468 -6.374 -13.232 1.00 0.00 H new ATOM 0 HE ARG A 5 3.107 -3.601 -14.263 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.393 -6.199 -14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.630 -6.189 -16.003 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.155 -3.785 -16.573 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.374 -4.834 -17.305 1.00 0.00 H new ATOM 91 N VAL A 6 4.087 -2.213 -10.270 1.00 0.00 N ATOM 92 CA VAL A 6 4.693 -0.968 -10.821 1.00 0.00 C ATOM 93 C VAL A 6 4.561 -0.971 -12.349 1.00 0.00 C ATOM 94 O VAL A 6 4.690 -2.003 -12.976 1.00 0.00 O ATOM 95 CB VAL A 6 6.173 -0.912 -10.436 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.845 0.265 -11.147 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.298 -0.730 -8.922 1.00 0.00 C ATOM 0 H VAL A 6 4.729 -2.820 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 6 4.178 -0.098 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 6 6.660 -1.841 -10.734 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.899 0.303 -10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.756 0.137 -12.226 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.359 1.195 -10.851 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.352 -0.690 -8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.810 0.198 -8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.822 -1.569 -8.414 1.00 0.00 H new ATOM 107 N PRO A 7 4.305 0.188 -12.902 1.00 0.00 N ATOM 108 CA PRO A 7 4.149 0.355 -14.358 1.00 0.00 C ATOM 109 C PRO A 7 5.517 0.373 -15.044 1.00 0.00 C ATOM 110 O PRO A 7 6.530 0.077 -14.441 1.00 0.00 O ATOM 111 CB PRO A 7 3.453 1.712 -14.491 1.00 0.00 C ATOM 112 CG PRO A 7 3.758 2.489 -13.188 1.00 0.00 C ATOM 113 CD PRO A 7 4.149 1.440 -12.131 1.00 0.00 C ATOM 0 HA PRO A 7 3.587 -0.454 -14.825 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.822 2.254 -15.362 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.379 1.586 -14.626 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.567 3.203 -13.343 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.887 3.059 -12.864 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.074 1.712 -11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.381 1.342 -11.364 1.00 0.00 H new ATOM 121 N ASP A 8 5.555 0.717 -16.302 1.00 0.00 N ATOM 122 CA ASP A 8 6.856 0.754 -17.027 1.00 0.00 C ATOM 123 C ASP A 8 7.557 2.084 -16.746 1.00 0.00 C ATOM 124 O ASP A 8 7.183 3.116 -17.267 1.00 0.00 O ATOM 125 CB ASP A 8 6.607 0.616 -18.531 1.00 0.00 C ATOM 126 CG ASP A 8 7.945 0.601 -19.271 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.861 -0.042 -18.785 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.032 1.232 -20.311 1.00 0.00 O ATOM 0 H ASP A 8 4.740 0.974 -16.859 1.00 0.00 H new ATOM 0 HA ASP A 8 7.485 -0.068 -16.687 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.056 -0.302 -18.736 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.992 1.443 -18.886 1.00 0.00 H new ATOM 133 N ILE A 9 8.571 2.069 -15.925 1.00 0.00 N ATOM 134 CA ILE A 9 9.295 3.333 -15.610 1.00 0.00 C ATOM 135 C ILE A 9 10.633 3.350 -16.351 1.00 0.00 C ATOM 136 O ILE A 9 10.901 4.225 -17.149 1.00 0.00 O ATOM 137 CB ILE A 9 9.551 3.442 -14.098 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.067 2.176 -13.381 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.801 4.652 -13.542 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.347 2.300 -11.882 1.00 0.00 C ATOM 0 H ILE A 9 8.930 1.236 -15.459 1.00 0.00 H new ATOM 0 HA ILE A 9 8.683 4.177 -15.927 1.00 0.00 H new ATOM 0 HB ILE A 9 10.622 3.557 -13.931 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.000 2.034 -13.552 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.574 1.300 -13.785 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.981 4.731 -12.470 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.153 5.557 -14.037 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.733 4.532 -13.722 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.003 1.400 -11.372 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.418 2.422 -11.721 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.820 3.167 -11.484 1.00 0.00 H new ATOM 152 N GLY A 10 11.474 2.386 -16.095 1.00 0.00 N ATOM 153 CA GLY A 10 12.795 2.346 -16.785 1.00 0.00 C ATOM 154 C GLY A 10 13.917 2.408 -15.748 1.00 0.00 C ATOM 155 O GLY A 10 15.070 2.181 -16.052 1.00 0.00 O ATOM 0 H GLY A 10 11.304 1.624 -15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.881 1.433 -17.375 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.880 3.183 -17.478 1.00 0.00 H new ATOM 159 N GLY A 11 13.588 2.715 -14.523 1.00 0.00 N ATOM 160 CA GLY A 11 14.636 2.790 -13.467 1.00 0.00 C ATOM 161 C GLY A 11 14.125 2.120 -12.190 1.00 0.00 C ATOM 162 O GLY A 11 13.458 1.106 -12.234 1.00 0.00 O ATOM 0 H GLY A 11 12.639 2.917 -14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.547 2.298 -13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.891 3.831 -13.267 1.00 0.00 H new ATOM 166 N ASP A 12 14.435 2.679 -11.051 1.00 0.00 N ATOM 167 CA ASP A 12 13.966 2.073 -9.774 1.00 0.00 C ATOM 168 C ASP A 12 12.716 2.810 -9.287 1.00 0.00 C ATOM 169 O ASP A 12 12.409 3.896 -9.738 1.00 0.00 O ATOM 170 CB ASP A 12 15.069 2.190 -8.720 1.00 0.00 C ATOM 171 CG ASP A 12 15.656 0.805 -8.440 1.00 0.00 C ATOM 172 OD1 ASP A 12 16.299 0.265 -9.325 1.00 0.00 O ATOM 173 OD2 ASP A 12 15.454 0.308 -7.344 1.00 0.00 O ATOM 0 H ASP A 12 14.992 3.528 -10.951 1.00 0.00 H new ATOM 0 HA ASP A 12 13.727 1.022 -9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.851 2.864 -9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.666 2.618 -7.802 1.00 0.00 H new ATOM 178 N GLY A 13 11.993 2.228 -8.370 1.00 0.00 N ATOM 179 CA GLY A 13 10.763 2.897 -7.857 1.00 0.00 C ATOM 180 C GLY A 13 10.838 3.004 -6.332 1.00 0.00 C ATOM 181 O GLY A 13 10.493 2.083 -5.619 1.00 0.00 O ATOM 0 H GLY A 13 12.200 1.320 -7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.665 3.889 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.879 2.330 -8.149 1.00 0.00 H new ATOM 185 N GLU A 14 11.286 4.121 -5.827 1.00 0.00 N ATOM 186 CA GLU A 14 11.383 4.284 -4.350 1.00 0.00 C ATOM 187 C GLU A 14 10.145 5.024 -3.837 1.00 0.00 C ATOM 188 O GLU A 14 9.810 6.094 -4.306 1.00 0.00 O ATOM 189 CB GLU A 14 12.637 5.091 -4.006 1.00 0.00 C ATOM 190 CG GLU A 14 13.004 4.864 -2.538 1.00 0.00 C ATOM 191 CD GLU A 14 13.243 6.213 -1.857 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.260 6.825 -2.139 1.00 0.00 O ATOM 193 OE2 GLU A 14 12.402 6.611 -1.066 1.00 0.00 O ATOM 0 H GLU A 14 11.589 4.927 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 14 11.442 3.303 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.464 4.790 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.461 6.151 -4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.203 4.326 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.899 4.245 -2.467 1.00 0.00 H new ATOM 200 N VAL A 15 9.461 4.462 -2.879 1.00 0.00 N ATOM 201 CA VAL A 15 8.246 5.133 -2.337 1.00 0.00 C ATOM 202 C VAL A 15 8.664 6.270 -1.403 1.00 0.00 C ATOM 203 O VAL A 15 9.522 6.108 -0.558 1.00 0.00 O ATOM 204 CB VAL A 15 7.406 4.118 -1.560 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.058 4.742 -1.197 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.176 2.878 -2.428 1.00 0.00 C ATOM 0 H VAL A 15 9.691 3.567 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 15 7.657 5.537 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 15 7.931 3.833 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.459 4.019 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.221 5.626 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.532 5.027 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.577 2.153 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.650 3.164 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.136 2.433 -2.688 1.00 0.00 H new ATOM 216 N ILE A 16 8.065 7.420 -1.548 1.00 0.00 N ATOM 217 CA ILE A 16 8.428 8.565 -0.667 1.00 0.00 C ATOM 218 C ILE A 16 7.185 9.039 0.088 1.00 0.00 C ATOM 219 O ILE A 16 7.252 9.413 1.243 1.00 0.00 O ATOM 220 CB ILE A 16 8.975 9.711 -1.520 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.985 9.157 -2.527 1.00 0.00 C ATOM 222 CG2 ILE A 16 9.666 10.735 -0.618 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.306 10.229 -3.570 1.00 0.00 C ATOM 0 H ILE A 16 7.340 7.616 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 16 9.189 8.249 0.047 1.00 0.00 H new ATOM 0 HB ILE A 16 8.154 10.192 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.896 8.850 -2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.580 8.270 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.056 11.551 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.948 11.129 0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.487 10.255 -0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.026 9.835 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.392 10.514 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.729 11.103 -3.075 1.00 0.00 H new ATOM 235 N GLU A 17 6.049 9.028 -0.554 1.00 0.00 N ATOM 236 CA GLU A 17 4.802 9.477 0.127 1.00 0.00 C ATOM 237 C GLU A 17 3.677 8.482 -0.164 1.00 0.00 C ATOM 238 O GLU A 17 3.519 8.016 -1.275 1.00 0.00 O ATOM 239 CB GLU A 17 4.407 10.860 -0.394 1.00 0.00 C ATOM 240 CG GLU A 17 4.189 11.808 0.787 1.00 0.00 C ATOM 241 CD GLU A 17 2.691 11.956 1.055 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.921 11.278 0.395 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.337 12.746 1.916 1.00 0.00 O ATOM 0 H GLU A 17 5.931 8.727 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 17 4.973 9.529 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.187 11.250 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.497 10.789 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.691 11.422 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.628 12.782 0.571 1.00 0.00 H new ATOM 250 N LEU A 18 2.895 8.149 0.827 1.00 0.00 N ATOM 251 CA LEU A 18 1.783 7.184 0.606 1.00 0.00 C ATOM 252 C LEU A 18 0.455 7.835 0.996 1.00 0.00 C ATOM 253 O LEU A 18 0.251 8.222 2.130 1.00 0.00 O ATOM 254 CB LEU A 18 2.011 5.938 1.465 1.00 0.00 C ATOM 255 CG LEU A 18 1.302 4.742 0.828 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.335 3.829 0.166 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.551 3.961 1.909 1.00 0.00 C ATOM 0 H LEU A 18 2.979 8.504 1.780 1.00 0.00 H new ATOM 0 HA LEU A 18 1.753 6.901 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.078 5.736 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.632 6.104 2.473 1.00 0.00 H new ATOM 0 HG LEU A 18 0.596 5.096 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.829 2.977 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.872 4.384 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.041 3.474 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.045 3.108 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.258 3.607 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.185 4.611 2.382 1.00 0.00 H new ATOM 269 N LEU A 19 -0.453 7.959 0.066 1.00 0.00 N ATOM 270 CA LEU A 19 -1.767 8.585 0.385 1.00 0.00 C ATOM 271 C LEU A 19 -2.884 7.564 0.164 1.00 0.00 C ATOM 272 O LEU A 19 -3.865 7.837 -0.501 1.00 0.00 O ATOM 273 CB LEU A 19 -1.991 9.793 -0.527 1.00 0.00 C ATOM 274 CG LEU A 19 -1.806 9.374 -1.986 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.936 9.961 -2.834 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.462 9.895 -2.499 1.00 0.00 C ATOM 0 H LEU A 19 -0.341 7.654 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.773 8.910 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.994 10.194 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.289 10.588 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.827 8.286 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.804 9.662 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.894 9.591 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.916 11.049 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.329 9.597 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.442 10.983 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.344 9.477 -1.896 1.00 0.00 H new ATOM 288 N VAL A 20 -2.747 6.391 0.717 1.00 0.00 N ATOM 289 CA VAL A 20 -3.802 5.354 0.538 1.00 0.00 C ATOM 290 C VAL A 20 -3.881 4.484 1.794 1.00 0.00 C ATOM 291 O VAL A 20 -2.951 4.419 2.575 1.00 0.00 O ATOM 292 CB VAL A 20 -3.459 4.479 -0.668 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.779 5.237 -1.957 1.00 0.00 C ATOM 294 CG2 VAL A 20 -1.969 4.133 -0.638 1.00 0.00 C ATOM 0 H VAL A 20 -1.950 6.105 1.285 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.763 5.840 0.372 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.047 3.562 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.534 4.613 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.840 5.485 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.191 6.154 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.723 3.509 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.382 5.050 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.739 3.593 0.280 1.00 0.00 H new ATOM 304 N LYS A 21 -4.982 3.814 1.996 1.00 0.00 N ATOM 305 CA LYS A 21 -5.118 2.948 3.202 1.00 0.00 C ATOM 306 C LYS A 21 -6.020 1.757 2.874 1.00 0.00 C ATOM 307 O LYS A 21 -6.454 1.584 1.753 1.00 0.00 O ATOM 308 CB LYS A 21 -5.736 3.759 4.343 1.00 0.00 C ATOM 309 CG LYS A 21 -5.078 5.139 4.405 1.00 0.00 C ATOM 310 CD LYS A 21 -5.555 5.876 5.657 1.00 0.00 C ATOM 311 CE LYS A 21 -4.455 6.822 6.143 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.910 7.521 7.377 1.00 0.00 N ATOM 0 H LYS A 21 -5.794 3.828 1.378 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.135 2.586 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.810 3.863 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.599 3.237 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.993 5.036 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.330 5.714 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.462 6.439 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.806 5.160 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.542 6.262 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.217 7.549 5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.162 8.164 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.770 8.068 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.116 6.820 8.117 1.00 0.00 H new ATOM 326 N THR A 22 -6.306 0.933 3.846 1.00 0.00 N ATOM 327 CA THR A 22 -7.180 -0.246 3.589 1.00 0.00 C ATOM 328 C THR A 22 -8.647 0.174 3.698 1.00 0.00 C ATOM 329 O THR A 22 -9.068 0.742 4.687 1.00 0.00 O ATOM 330 CB THR A 22 -6.883 -1.336 4.621 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.605 -1.898 4.359 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.950 -2.428 4.535 1.00 0.00 C ATOM 0 H THR A 22 -5.972 1.026 4.805 1.00 0.00 H new ATOM 0 HA THR A 22 -6.986 -0.631 2.588 1.00 0.00 H new ATOM 0 HB THR A 22 -6.892 -0.902 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.412 -2.595 5.020 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.737 -3.204 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.930 -1.996 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.945 -2.864 3.536 1.00 0.00 H new ATOM 340 N GLY A 23 -9.429 -0.100 2.690 1.00 0.00 N ATOM 341 CA GLY A 23 -10.868 0.284 2.737 1.00 0.00 C ATOM 342 C GLY A 23 -11.050 1.670 2.116 1.00 0.00 C ATOM 343 O GLY A 23 -12.122 2.242 2.155 1.00 0.00 O ATOM 0 H GLY A 23 -9.134 -0.573 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.468 -0.449 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.220 0.287 3.768 1.00 0.00 H new ATOM 347 N ASP A 24 -10.013 2.215 1.542 1.00 0.00 N ATOM 348 CA ASP A 24 -10.130 3.564 0.920 1.00 0.00 C ATOM 349 C ASP A 24 -10.694 3.425 -0.495 1.00 0.00 C ATOM 350 O ASP A 24 -10.242 2.612 -1.276 1.00 0.00 O ATOM 351 CB ASP A 24 -8.747 4.218 0.855 1.00 0.00 C ATOM 352 CG ASP A 24 -8.418 4.851 2.208 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.238 4.744 3.105 1.00 0.00 O ATOM 354 OD2 ASP A 24 -7.353 5.433 2.324 1.00 0.00 O ATOM 0 H ASP A 24 -9.090 1.785 1.477 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.797 4.184 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.993 3.474 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.728 4.976 0.072 1.00 0.00 H new ATOM 359 N LEU A 25 -11.680 4.211 -0.832 1.00 0.00 N ATOM 360 CA LEU A 25 -12.271 4.122 -2.197 1.00 0.00 C ATOM 361 C LEU A 25 -11.579 5.125 -3.120 1.00 0.00 C ATOM 362 O LEU A 25 -11.794 6.318 -3.030 1.00 0.00 O ATOM 363 CB LEU A 25 -13.766 4.440 -2.126 1.00 0.00 C ATOM 364 CG LEU A 25 -14.495 3.721 -3.263 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.595 2.229 -2.941 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.902 4.304 -3.414 1.00 0.00 C ATOM 0 H LEU A 25 -12.102 4.911 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.132 3.114 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.170 4.125 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.924 5.516 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.942 3.856 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.114 1.716 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.594 1.813 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.148 2.094 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -16.423 3.793 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.454 4.167 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.833 5.368 -3.642 1.00 0.00 H new ATOM 378 N ILE A 26 -10.747 4.653 -4.007 1.00 0.00 N ATOM 379 CA ILE A 26 -10.040 5.576 -4.935 1.00 0.00 C ATOM 380 C ILE A 26 -10.864 5.728 -6.217 1.00 0.00 C ATOM 381 O ILE A 26 -11.987 5.271 -6.301 1.00 0.00 O ATOM 382 CB ILE A 26 -8.670 4.989 -5.272 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.110 4.265 -4.044 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.711 6.110 -5.676 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.700 3.757 -4.350 1.00 0.00 C ATOM 0 H ILE A 26 -10.527 3.665 -4.128 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.914 6.552 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.775 4.286 -6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.087 4.941 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.758 3.431 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.736 5.686 -5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.105 6.629 -6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.608 6.815 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.301 3.242 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.737 3.067 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.056 4.600 -4.599 1.00 0.00 H new ATOM 397 N GLU A 27 -10.317 6.365 -7.215 1.00 0.00 N ATOM 398 CA GLU A 27 -11.071 6.544 -8.488 1.00 0.00 C ATOM 399 C GLU A 27 -10.101 6.470 -9.668 1.00 0.00 C ATOM 400 O GLU A 27 -8.904 6.353 -9.494 1.00 0.00 O ATOM 401 CB GLU A 27 -11.766 7.907 -8.482 1.00 0.00 C ATOM 402 CG GLU A 27 -13.229 7.732 -8.067 1.00 0.00 C ATOM 403 CD GLU A 27 -13.636 8.879 -7.139 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.797 9.723 -6.869 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.780 8.893 -6.715 1.00 0.00 O ATOM 0 H GLU A 27 -9.381 6.769 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.819 5.757 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.260 8.582 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.709 8.360 -9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.869 7.719 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.363 6.776 -7.561 1.00 0.00 H new ATOM 412 N VAL A 28 -10.606 6.538 -10.869 1.00 0.00 N ATOM 413 CA VAL A 28 -9.711 6.473 -12.058 1.00 0.00 C ATOM 414 C VAL A 28 -9.109 7.854 -12.321 1.00 0.00 C ATOM 415 O VAL A 28 -9.478 8.533 -13.259 1.00 0.00 O ATOM 416 CB VAL A 28 -10.516 6.025 -13.279 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.591 7.067 -13.591 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.579 5.885 -14.483 1.00 0.00 C ATOM 0 H VAL A 28 -11.600 6.636 -11.078 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.910 5.759 -11.870 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.989 5.065 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.165 6.748 -14.461 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.257 7.170 -12.735 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.118 8.026 -13.800 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.151 5.566 -15.354 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.107 6.846 -14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.811 5.144 -14.262 1.00 0.00 H new ATOM 428 N GLU A 29 -8.185 8.275 -11.500 1.00 0.00 N ATOM 429 CA GLU A 29 -7.557 9.609 -11.698 1.00 0.00 C ATOM 430 C GLU A 29 -6.852 10.035 -10.409 1.00 0.00 C ATOM 431 O GLU A 29 -5.738 10.520 -10.430 1.00 0.00 O ATOM 432 CB GLU A 29 -8.634 10.637 -12.054 1.00 0.00 C ATOM 433 CG GLU A 29 -8.476 11.055 -13.518 1.00 0.00 C ATOM 434 CD GLU A 29 -8.420 12.581 -13.610 1.00 0.00 C ATOM 435 OE1 GLU A 29 -7.674 13.173 -12.847 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.123 13.131 -14.441 1.00 0.00 O ATOM 0 H GLU A 29 -7.838 7.749 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.831 9.551 -12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.625 10.213 -11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.549 11.508 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.567 10.621 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.310 10.675 -14.108 1.00 0.00 H new ATOM 443 N GLN A 30 -7.492 9.859 -9.285 1.00 0.00 N ATOM 444 CA GLN A 30 -6.857 10.253 -7.997 1.00 0.00 C ATOM 445 C GLN A 30 -5.458 9.641 -7.911 1.00 0.00 C ATOM 446 O GLN A 30 -5.230 8.527 -8.338 1.00 0.00 O ATOM 447 CB GLN A 30 -7.709 9.745 -6.832 1.00 0.00 C ATOM 448 CG GLN A 30 -7.898 10.867 -5.809 1.00 0.00 C ATOM 449 CD GLN A 30 -8.590 10.311 -4.564 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.177 9.184 -4.051 1.00 0.00 O flip ATOM 451 NE2 GLN A 30 -9.516 10.909 -4.051 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.427 9.459 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.782 11.339 -7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.678 9.405 -7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.227 8.888 -6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.932 11.295 -5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.494 11.671 -6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.839 11.790 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.970 10.530 -3.220 1.00 0.00 H new ATOM 460 N GLY A 31 -4.518 10.361 -7.363 1.00 0.00 N ATOM 461 CA GLY A 31 -3.134 9.817 -7.252 1.00 0.00 C ATOM 462 C GLY A 31 -3.150 8.545 -6.404 1.00 0.00 C ATOM 463 O GLY A 31 -4.167 8.159 -5.863 1.00 0.00 O ATOM 0 H GLY A 31 -4.647 11.301 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.737 9.600 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.476 10.559 -6.800 1.00 0.00 H new ATOM 467 N LEU A 32 -2.028 7.890 -6.283 1.00 0.00 N ATOM 468 CA LEU A 32 -1.979 6.641 -5.469 1.00 0.00 C ATOM 469 C LEU A 32 -0.693 6.626 -4.640 1.00 0.00 C ATOM 470 O LEU A 32 -0.727 6.622 -3.425 1.00 0.00 O ATOM 471 CB LEU A 32 -2.001 5.426 -6.398 1.00 0.00 C ATOM 472 CG LEU A 32 -2.613 4.233 -5.662 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.074 4.068 -6.083 1.00 0.00 C ATOM 474 CD2 LEU A 32 -1.836 2.963 -6.016 1.00 0.00 C ATOM 0 H LEU A 32 -1.144 8.165 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.842 6.605 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.580 5.650 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.989 5.186 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.561 4.405 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.510 3.218 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.629 4.972 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.126 3.896 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.271 2.112 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.888 2.792 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.794 3.079 -5.717 1.00 0.00 H new ATOM 486 N VAL A 33 0.442 6.618 -5.285 1.00 0.00 N ATOM 487 CA VAL A 33 1.726 6.602 -4.529 1.00 0.00 C ATOM 488 C VAL A 33 2.705 7.591 -5.166 1.00 0.00 C ATOM 489 O VAL A 33 2.560 7.972 -6.311 1.00 0.00 O ATOM 490 CB VAL A 33 2.325 5.196 -4.568 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.375 4.215 -3.877 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.526 4.769 -6.024 1.00 0.00 C ATOM 0 H VAL A 33 0.535 6.622 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 33 1.541 6.889 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 33 3.285 5.196 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.803 3.213 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.230 4.518 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.415 4.214 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.953 3.767 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.565 4.770 -6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.203 5.466 -6.518 1.00 0.00 H new ATOM 502 N VAL A 34 3.701 8.009 -4.435 1.00 0.00 N ATOM 503 CA VAL A 34 4.687 8.972 -4.999 1.00 0.00 C ATOM 504 C VAL A 34 6.058 8.299 -5.097 1.00 0.00 C ATOM 505 O VAL A 34 6.890 8.432 -4.220 1.00 0.00 O ATOM 506 CB VAL A 34 4.784 10.196 -4.087 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.801 11.183 -4.663 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.414 10.872 -3.996 1.00 0.00 C ATOM 0 H VAL A 34 3.875 7.725 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 34 4.363 9.284 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 34 5.104 9.884 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.870 12.055 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.777 10.702 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.482 11.496 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.481 11.745 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.095 11.184 -4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.688 10.170 -3.586 1.00 0.00 H new ATOM 518 N LEU A 35 6.299 7.575 -6.156 1.00 0.00 N ATOM 519 CA LEU A 35 7.616 6.894 -6.308 1.00 0.00 C ATOM 520 C LEU A 35 8.554 7.773 -7.136 1.00 0.00 C ATOM 521 O LEU A 35 8.122 8.646 -7.863 1.00 0.00 O ATOM 522 CB LEU A 35 7.416 5.552 -7.017 1.00 0.00 C ATOM 523 CG LEU A 35 6.109 4.914 -6.544 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.788 3.701 -7.418 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.259 4.467 -5.088 1.00 0.00 C ATOM 0 H LEU A 35 5.642 7.426 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 35 8.053 6.725 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.391 5.699 -8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.254 4.888 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 35 5.301 5.641 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.857 3.246 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.683 4.018 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.596 2.973 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.328 4.012 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.067 3.739 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.489 5.331 -4.464 1.00 0.00 H new ATOM 537 N GLU A 36 9.835 7.551 -7.033 1.00 0.00 N ATOM 538 CA GLU A 36 10.800 8.375 -7.814 1.00 0.00 C ATOM 539 C GLU A 36 11.683 7.459 -8.663 1.00 0.00 C ATOM 540 O GLU A 36 11.792 6.276 -8.408 1.00 0.00 O ATOM 541 CB GLU A 36 11.678 9.182 -6.854 1.00 0.00 C ATOM 542 CG GLU A 36 11.641 10.660 -7.247 1.00 0.00 C ATOM 543 CD GLU A 36 12.888 11.362 -6.709 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.858 10.676 -6.433 1.00 0.00 O ATOM 545 OE2 GLU A 36 12.853 12.575 -6.581 1.00 0.00 O ATOM 0 H GLU A 36 10.256 6.834 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 36 10.251 9.056 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.325 9.058 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.703 8.812 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.595 10.758 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.744 11.132 -6.846 1.00 0.00 H new ATOM 552 N SER A 37 12.315 7.994 -9.671 1.00 0.00 N ATOM 553 CA SER A 37 13.190 7.152 -10.534 1.00 0.00 C ATOM 554 C SER A 37 14.462 7.929 -10.883 1.00 0.00 C ATOM 555 O SER A 37 14.583 9.102 -10.594 1.00 0.00 O ATOM 556 CB SER A 37 12.443 6.793 -11.819 1.00 0.00 C ATOM 557 OG SER A 37 13.384 6.447 -12.828 1.00 0.00 O ATOM 0 H SER A 37 12.263 8.978 -9.934 1.00 0.00 H new ATOM 0 HA SER A 37 13.457 6.239 -10.001 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.764 5.960 -11.638 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.834 7.635 -12.147 1.00 0.00 H new ATOM 0 HG SER A 37 12.909 6.215 -13.653 1.00 0.00 H new ATOM 563 N ALA A 38 15.412 7.281 -11.502 1.00 0.00 N ATOM 564 CA ALA A 38 16.674 7.982 -11.868 1.00 0.00 C ATOM 565 C ALA A 38 16.395 8.987 -12.987 1.00 0.00 C ATOM 566 O ALA A 38 17.208 9.840 -13.285 1.00 0.00 O ATOM 567 CB ALA A 38 17.705 6.958 -12.347 1.00 0.00 C ATOM 0 H ALA A 38 15.368 6.298 -11.769 1.00 0.00 H new ATOM 0 HA ALA A 38 17.062 8.509 -10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.629 7.470 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.905 6.243 -11.549 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.316 6.431 -13.218 1.00 0.00 H new ATOM 573 N LYS A 39 15.252 8.894 -13.609 1.00 0.00 N ATOM 574 CA LYS A 39 14.923 9.845 -14.708 1.00 0.00 C ATOM 575 C LYS A 39 14.274 11.100 -14.120 1.00 0.00 C ATOM 576 O LYS A 39 14.527 12.205 -14.559 1.00 0.00 O ATOM 577 CB LYS A 39 13.953 9.179 -15.685 1.00 0.00 C ATOM 578 CG LYS A 39 14.712 8.736 -16.938 1.00 0.00 C ATOM 579 CD LYS A 39 14.825 7.210 -16.953 1.00 0.00 C ATOM 580 CE LYS A 39 15.910 6.789 -17.946 1.00 0.00 C ATOM 581 NZ LYS A 39 16.126 5.317 -17.851 1.00 0.00 N ATOM 0 H LYS A 39 14.532 8.201 -13.404 1.00 0.00 H new ATOM 0 HA LYS A 39 15.836 10.122 -15.235 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.477 8.320 -15.212 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.158 9.874 -15.955 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.193 9.082 -17.832 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.705 9.185 -16.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.067 6.843 -15.956 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.869 6.767 -17.232 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.615 7.059 -18.960 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.839 7.318 -17.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.864 5.030 -18.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.426 5.072 -16.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.240 4.821 -18.075 1.00 0.00 H new ATOM 595 N ALA A 40 13.440 10.940 -13.130 1.00 0.00 N ATOM 596 CA ALA A 40 12.777 12.124 -12.514 1.00 0.00 C ATOM 597 C ALA A 40 11.747 11.655 -11.485 1.00 0.00 C ATOM 598 O ALA A 40 11.633 10.480 -11.198 1.00 0.00 O ATOM 599 CB ALA A 40 12.076 12.938 -13.603 1.00 0.00 C ATOM 0 H ALA A 40 13.189 10.040 -12.721 1.00 0.00 H new ATOM 0 HA ALA A 40 13.526 12.744 -12.021 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.591 13.804 -13.154 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.810 13.273 -14.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.327 12.318 -14.096 1.00 0.00 H new ATOM 605 N SER A 41 10.995 12.564 -10.927 1.00 0.00 N ATOM 606 CA SER A 41 9.974 12.169 -9.917 1.00 0.00 C ATOM 607 C SER A 41 8.599 12.093 -10.585 1.00 0.00 C ATOM 608 O SER A 41 8.217 12.962 -11.343 1.00 0.00 O ATOM 609 CB SER A 41 9.937 13.207 -8.796 1.00 0.00 C ATOM 610 OG SER A 41 10.681 14.352 -9.193 1.00 0.00 O ATOM 0 H SER A 41 11.044 13.563 -11.127 1.00 0.00 H new ATOM 0 HA SER A 41 10.232 11.195 -9.502 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.906 13.486 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.355 12.787 -7.881 1.00 0.00 H new ATOM 0 HG SER A 41 10.186 14.840 -9.884 1.00 0.00 H new ATOM 616 N MET A 42 7.853 11.058 -10.310 1.00 0.00 N ATOM 617 CA MET A 42 6.504 10.928 -10.931 1.00 0.00 C ATOM 618 C MET A 42 5.617 10.051 -10.044 1.00 0.00 C ATOM 619 O MET A 42 6.016 8.989 -9.609 1.00 0.00 O ATOM 620 CB MET A 42 6.637 10.287 -12.314 1.00 0.00 C ATOM 621 CG MET A 42 7.235 8.886 -12.174 1.00 0.00 C ATOM 622 SD MET A 42 6.064 7.664 -12.812 1.00 0.00 S ATOM 623 CE MET A 42 6.435 7.889 -14.569 1.00 0.00 C ATOM 0 H MET A 42 8.118 10.298 -9.683 1.00 0.00 H new ATOM 0 HA MET A 42 6.054 11.916 -11.032 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.661 10.230 -12.795 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.272 10.902 -12.952 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.176 8.824 -12.721 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.460 8.678 -11.128 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.812 7.218 -15.161 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.231 8.921 -14.855 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.486 7.664 -14.751 1.00 0.00 H new ATOM 633 N GLU A 43 4.417 10.486 -9.772 1.00 0.00 N ATOM 634 CA GLU A 43 3.508 9.676 -8.914 1.00 0.00 C ATOM 635 C GLU A 43 2.609 8.810 -9.798 1.00 0.00 C ATOM 636 O GLU A 43 2.698 8.840 -11.010 1.00 0.00 O ATOM 637 CB GLU A 43 2.641 10.609 -8.066 1.00 0.00 C ATOM 638 CG GLU A 43 2.137 11.766 -8.931 1.00 0.00 C ATOM 639 CD GLU A 43 1.034 12.519 -8.185 1.00 0.00 C ATOM 640 OE1 GLU A 43 -0.068 12.002 -8.120 1.00 0.00 O ATOM 641 OE2 GLU A 43 1.311 13.602 -7.693 1.00 0.00 O ATOM 0 H GLU A 43 4.027 11.367 -10.107 1.00 0.00 H new ATOM 0 HA GLU A 43 4.101 9.036 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.798 10.059 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.218 10.994 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.959 12.443 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.755 11.386 -9.879 1.00 0.00 H new ATOM 648 N VAL A 44 1.742 8.037 -9.202 1.00 0.00 N ATOM 649 CA VAL A 44 0.839 7.171 -10.012 1.00 0.00 C ATOM 650 C VAL A 44 -0.531 7.086 -9.327 1.00 0.00 C ATOM 651 O VAL A 44 -0.611 6.794 -8.151 1.00 0.00 O ATOM 652 CB VAL A 44 1.440 5.767 -10.113 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.551 4.893 -10.999 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.840 5.855 -10.725 1.00 0.00 C ATOM 0 H VAL A 44 1.620 7.968 -8.192 1.00 0.00 H new ATOM 0 HA VAL A 44 0.725 7.594 -11.010 1.00 0.00 H new ATOM 0 HB VAL A 44 1.504 5.327 -9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.979 3.893 -11.071 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.447 4.830 -10.564 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.486 5.332 -11.995 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.269 4.856 -10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.775 6.295 -11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.474 6.477 -10.094 1.00 0.00 H new ATOM 664 N PRO A 45 -1.572 7.346 -10.081 1.00 0.00 N ATOM 665 CA PRO A 45 -2.950 7.304 -9.563 1.00 0.00 C ATOM 666 C PRO A 45 -3.437 5.856 -9.464 1.00 0.00 C ATOM 667 O PRO A 45 -2.672 4.922 -9.590 1.00 0.00 O ATOM 668 CB PRO A 45 -3.753 8.076 -10.614 1.00 0.00 C ATOM 669 CG PRO A 45 -2.927 8.018 -11.920 1.00 0.00 C ATOM 670 CD PRO A 45 -1.475 7.702 -11.511 1.00 0.00 C ATOM 0 HA PRO A 45 -3.046 7.728 -8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.737 7.630 -10.756 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.913 9.108 -10.301 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.316 7.252 -12.590 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.981 8.966 -12.455 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.065 6.881 -12.099 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.822 8.561 -11.664 1.00 0.00 H new ATOM 678 N SER A 46 -4.708 5.667 -9.240 1.00 0.00 N ATOM 679 CA SER A 46 -5.247 4.281 -9.135 1.00 0.00 C ATOM 680 C SER A 46 -5.571 3.754 -10.538 1.00 0.00 C ATOM 681 O SER A 46 -6.135 4.465 -11.346 1.00 0.00 O ATOM 682 CB SER A 46 -6.520 4.296 -8.289 1.00 0.00 C ATOM 683 OG SER A 46 -7.343 3.197 -8.659 1.00 0.00 O ATOM 0 H SER A 46 -5.396 6.411 -9.125 1.00 0.00 H new ATOM 0 HA SER A 46 -4.506 3.634 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.268 4.236 -7.230 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.057 5.233 -8.436 1.00 0.00 H new ATOM 0 HG SER A 46 -8.248 3.334 -8.310 1.00 0.00 H new ATOM 689 N PRO A 47 -5.204 2.522 -10.790 1.00 0.00 N ATOM 690 CA PRO A 47 -5.443 1.875 -12.092 1.00 0.00 C ATOM 691 C PRO A 47 -6.897 1.409 -12.200 1.00 0.00 C ATOM 692 O PRO A 47 -7.335 0.942 -13.232 1.00 0.00 O ATOM 693 CB PRO A 47 -4.486 0.680 -12.081 1.00 0.00 C ATOM 694 CG PRO A 47 -4.182 0.378 -10.593 1.00 0.00 C ATOM 695 CD PRO A 47 -4.516 1.660 -9.806 1.00 0.00 C ATOM 0 HA PRO A 47 -5.275 2.541 -12.938 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.938 -0.184 -12.568 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.570 0.911 -12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.780 -0.461 -10.238 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.136 0.103 -10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.155 1.446 -8.949 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.615 2.137 -9.421 1.00 0.00 H new ATOM 703 N LYS A 48 -7.644 1.534 -11.141 1.00 0.00 N ATOM 704 CA LYS A 48 -9.069 1.100 -11.178 1.00 0.00 C ATOM 705 C LYS A 48 -9.838 1.775 -10.040 1.00 0.00 C ATOM 706 O LYS A 48 -9.348 1.896 -8.934 1.00 0.00 O ATOM 707 CB LYS A 48 -9.144 -0.419 -11.014 1.00 0.00 C ATOM 708 CG LYS A 48 -8.751 -1.095 -12.329 1.00 0.00 C ATOM 709 CD LYS A 48 -9.446 -2.454 -12.434 1.00 0.00 C ATOM 710 CE LYS A 48 -10.630 -2.350 -13.396 1.00 0.00 C ATOM 711 NZ LYS A 48 -11.900 -2.561 -12.646 1.00 0.00 N ATOM 0 H LYS A 48 -7.330 1.918 -10.250 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.511 1.384 -12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.478 -0.742 -10.214 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.153 -0.715 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.033 -0.465 -13.172 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.670 -1.224 -12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.742 -3.208 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.790 -2.775 -11.451 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.637 -1.372 -13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.535 -3.093 -14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.705 -2.490 -13.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.892 -3.504 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.991 -1.836 -11.906 1.00 0.00 H new ATOM 725 N ALA A 49 -11.039 2.215 -10.300 1.00 0.00 N ATOM 726 CA ALA A 49 -11.835 2.880 -9.231 1.00 0.00 C ATOM 727 C ALA A 49 -12.458 1.817 -8.324 1.00 0.00 C ATOM 728 O ALA A 49 -13.451 1.203 -8.660 1.00 0.00 O ATOM 729 CB ALA A 49 -12.944 3.719 -9.869 1.00 0.00 C ATOM 0 H ALA A 49 -11.503 2.143 -11.206 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.184 3.526 -8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.527 4.206 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.501 4.476 -10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.595 3.074 -10.459 1.00 0.00 H new ATOM 735 N GLY A 50 -11.883 1.595 -7.173 1.00 0.00 N ATOM 736 CA GLY A 50 -12.443 0.572 -6.245 1.00 0.00 C ATOM 737 C GLY A 50 -11.983 0.870 -4.817 1.00 0.00 C ATOM 738 O GLY A 50 -11.800 2.010 -4.439 1.00 0.00 O ATOM 0 H GLY A 50 -11.050 2.078 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.532 0.577 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.115 -0.424 -6.544 1.00 0.00 H new ATOM 742 N VAL A 51 -11.797 -0.145 -4.019 1.00 0.00 N ATOM 743 CA VAL A 51 -11.350 0.082 -2.616 1.00 0.00 C ATOM 744 C VAL A 51 -10.100 -0.756 -2.336 1.00 0.00 C ATOM 745 O VAL A 51 -9.894 -1.798 -2.927 1.00 0.00 O ATOM 746 CB VAL A 51 -12.465 -0.328 -1.652 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.717 -1.832 -1.771 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.047 0.006 -0.218 1.00 0.00 C ATOM 0 H VAL A 51 -11.935 -1.122 -4.278 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.118 1.138 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.377 0.214 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.511 -2.123 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.014 -2.071 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.805 -2.375 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.841 -0.286 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.134 -0.536 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.868 1.078 -0.132 1.00 0.00 H new ATOM 758 N VAL A 52 -9.265 -0.311 -1.437 1.00 0.00 N ATOM 759 CA VAL A 52 -8.031 -1.083 -1.120 1.00 0.00 C ATOM 760 C VAL A 52 -8.412 -2.385 -0.412 1.00 0.00 C ATOM 761 O VAL A 52 -9.302 -2.418 0.413 1.00 0.00 O ATOM 762 CB VAL A 52 -7.131 -0.251 -0.206 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.002 -1.129 0.336 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.533 0.912 -1.002 1.00 0.00 C ATOM 0 H VAL A 52 -9.384 0.553 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.499 -1.313 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.719 0.139 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.360 -0.536 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.426 -1.959 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.414 -1.519 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.891 1.506 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.945 0.520 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.336 1.539 -1.390 1.00 0.00 H new ATOM 774 N LYS A 53 -7.744 -3.461 -0.730 1.00 0.00 N ATOM 775 CA LYS A 53 -8.069 -4.760 -0.075 1.00 0.00 C ATOM 776 C LYS A 53 -6.939 -5.145 0.882 1.00 0.00 C ATOM 777 O LYS A 53 -7.164 -5.407 2.047 1.00 0.00 O ATOM 778 CB LYS A 53 -8.226 -5.844 -1.143 1.00 0.00 C ATOM 779 CG LYS A 53 -8.617 -7.164 -0.477 1.00 0.00 C ATOM 780 CD LYS A 53 -9.930 -7.671 -1.079 1.00 0.00 C ATOM 781 CE LYS A 53 -10.718 -8.437 -0.015 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.660 -7.507 0.671 1.00 0.00 N ATOM 0 H LYS A 53 -6.988 -3.496 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.000 -4.663 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.987 -5.550 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.293 -5.965 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.829 -7.903 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.728 -7.022 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.520 -6.833 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.725 -8.319 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.270 -9.256 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.035 -8.880 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.196 -8.027 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.123 -6.740 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.319 -7.104 -0.025 1.00 0.00 H new ATOM 796 N SER A 54 -5.727 -5.184 0.400 1.00 0.00 N ATOM 797 CA SER A 54 -4.586 -5.555 1.285 1.00 0.00 C ATOM 798 C SER A 54 -3.367 -4.701 0.930 1.00 0.00 C ATOM 799 O SER A 54 -3.403 -3.896 0.020 1.00 0.00 O ATOM 800 CB SER A 54 -4.249 -7.032 1.087 1.00 0.00 C ATOM 801 OG SER A 54 -5.413 -7.726 0.659 1.00 0.00 O ATOM 0 H SER A 54 -5.477 -4.975 -0.567 1.00 0.00 H new ATOM 0 HA SER A 54 -4.860 -5.381 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.455 -7.140 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.878 -7.460 2.018 1.00 0.00 H new ATOM 0 HG SER A 54 -5.200 -8.674 0.530 1.00 0.00 H new ATOM 807 N VAL A 55 -2.286 -4.870 1.641 1.00 0.00 N ATOM 808 CA VAL A 55 -1.065 -4.069 1.344 1.00 0.00 C ATOM 809 C VAL A 55 0.113 -5.012 1.090 1.00 0.00 C ATOM 810 O VAL A 55 0.433 -5.855 1.905 1.00 0.00 O ATOM 811 CB VAL A 55 -0.747 -3.164 2.536 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.549 -2.398 2.263 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.893 -2.171 2.740 1.00 0.00 C ATOM 0 H VAL A 55 -2.196 -5.528 2.415 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.237 -3.456 0.459 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.628 -3.772 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.776 -1.753 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.365 -3.105 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.430 -1.789 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.668 -1.525 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.012 -1.563 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.817 -2.716 2.934 1.00 0.00 H new ATOM 823 N SER A 56 0.763 -4.877 -0.034 1.00 0.00 N ATOM 824 CA SER A 56 1.919 -5.765 -0.337 1.00 0.00 C ATOM 825 C SER A 56 3.225 -4.983 -0.175 1.00 0.00 C ATOM 826 O SER A 56 4.300 -5.501 -0.400 1.00 0.00 O ATOM 827 CB SER A 56 1.806 -6.274 -1.776 1.00 0.00 C ATOM 828 OG SER A 56 2.800 -7.265 -2.003 1.00 0.00 O ATOM 0 H SER A 56 0.543 -4.190 -0.755 1.00 0.00 H new ATOM 0 HA SER A 56 1.916 -6.610 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.814 -6.691 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.932 -5.449 -2.477 1.00 0.00 H new ATOM 0 HG SER A 56 3.619 -7.024 -1.521 1.00 0.00 H new ATOM 834 N VAL A 57 3.141 -3.740 0.215 1.00 0.00 N ATOM 835 CA VAL A 57 4.380 -2.930 0.391 1.00 0.00 C ATOM 836 C VAL A 57 4.178 -1.930 1.530 1.00 0.00 C ATOM 837 O VAL A 57 3.109 -1.832 2.101 1.00 0.00 O ATOM 838 CB VAL A 57 4.681 -2.173 -0.904 1.00 0.00 C ATOM 839 CG1 VAL A 57 5.301 -3.130 -1.923 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.381 -1.598 -1.472 1.00 0.00 C ATOM 0 H VAL A 57 2.269 -3.251 0.419 1.00 0.00 H new ATOM 0 HA VAL A 57 5.215 -3.589 0.630 1.00 0.00 H new ATOM 0 HB VAL A 57 5.379 -1.362 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.515 -2.590 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.226 -3.541 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.604 -3.942 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.594 -1.058 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.684 -2.410 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.938 -0.916 -0.747 1.00 0.00 H new ATOM 850 N LYS A 58 5.196 -1.188 1.868 1.00 0.00 N ATOM 851 CA LYS A 58 5.062 -0.196 2.971 1.00 0.00 C ATOM 852 C LYS A 58 5.578 1.165 2.499 1.00 0.00 C ATOM 853 O LYS A 58 6.456 1.250 1.663 1.00 0.00 O ATOM 854 CB LYS A 58 5.878 -0.661 4.178 1.00 0.00 C ATOM 855 CG LYS A 58 5.003 -0.624 5.433 1.00 0.00 C ATOM 856 CD LYS A 58 5.668 0.254 6.494 1.00 0.00 C ATOM 857 CE LYS A 58 5.094 -0.086 7.871 1.00 0.00 C ATOM 858 NZ LYS A 58 6.168 -0.663 8.728 1.00 0.00 N ATOM 0 H LYS A 58 6.115 -1.226 1.428 1.00 0.00 H new ATOM 0 HA LYS A 58 4.013 -0.108 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.250 -1.672 4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.749 -0.019 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.015 -0.233 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.860 -1.633 5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.746 0.096 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.499 1.307 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.684 0.810 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.274 -0.797 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.778 -0.894 9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.539 -1.527 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.937 0.029 8.834 1.00 0.00 H new ATOM 872 N LEU A 59 5.042 2.231 3.028 1.00 0.00 N ATOM 873 CA LEU A 59 5.505 3.584 2.610 1.00 0.00 C ATOM 874 C LEU A 59 6.986 3.747 2.957 1.00 0.00 C ATOM 875 O LEU A 59 7.443 3.308 3.993 1.00 0.00 O ATOM 876 CB LEU A 59 4.689 4.651 3.343 1.00 0.00 C ATOM 877 CG LEU A 59 4.760 4.403 4.851 1.00 0.00 C ATOM 878 CD1 LEU A 59 4.901 5.738 5.582 1.00 0.00 C ATOM 879 CD2 LEU A 59 3.479 3.702 5.312 1.00 0.00 C ATOM 0 H LEU A 59 4.304 2.223 3.732 1.00 0.00 H new ATOM 0 HA LEU A 59 5.370 3.698 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.075 5.643 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.652 4.625 3.008 1.00 0.00 H new ATOM 0 HG LEU A 59 5.621 3.774 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.952 5.561 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.812 6.238 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.040 6.368 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.528 3.524 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.618 4.332 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.378 2.750 4.791 1.00 0.00 H new ATOM 891 N GLY A 60 7.740 4.374 2.096 1.00 0.00 N ATOM 892 CA GLY A 60 9.191 4.564 2.378 1.00 0.00 C ATOM 893 C GLY A 60 9.968 3.331 1.914 1.00 0.00 C ATOM 894 O GLY A 60 11.182 3.340 1.842 1.00 0.00 O ATOM 0 H GLY A 60 7.415 4.762 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.558 5.453 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.347 4.725 3.445 1.00 0.00 H new ATOM 898 N ASP A 61 9.280 2.268 1.598 1.00 0.00 N ATOM 899 CA ASP A 61 9.981 1.035 1.140 1.00 0.00 C ATOM 900 C ASP A 61 10.403 1.202 -0.321 1.00 0.00 C ATOM 901 O ASP A 61 9.790 1.932 -1.075 1.00 0.00 O ATOM 902 CB ASP A 61 9.039 -0.163 1.265 1.00 0.00 C ATOM 903 CG ASP A 61 8.646 -0.354 2.731 1.00 0.00 C ATOM 904 OD1 ASP A 61 8.882 0.554 3.510 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.117 -1.406 3.050 1.00 0.00 O ATOM 0 H ASP A 61 8.263 2.200 1.637 1.00 0.00 H new ATOM 0 HA ASP A 61 10.864 0.868 1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.149 -0.004 0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.526 -1.062 0.888 1.00 0.00 H new ATOM 910 N LYS A 62 11.447 0.532 -0.727 1.00 0.00 N ATOM 911 CA LYS A 62 11.906 0.653 -2.139 1.00 0.00 C ATOM 912 C LYS A 62 11.725 -0.689 -2.852 1.00 0.00 C ATOM 913 O LYS A 62 11.863 -1.741 -2.258 1.00 0.00 O ATOM 914 CB LYS A 62 13.385 1.047 -2.162 1.00 0.00 C ATOM 915 CG LYS A 62 14.215 -0.045 -1.486 1.00 0.00 C ATOM 916 CD LYS A 62 14.771 0.482 -0.161 1.00 0.00 C ATOM 917 CE LYS A 62 14.943 -0.680 0.818 1.00 0.00 C ATOM 918 NZ LYS A 62 16.392 -1.005 0.953 1.00 0.00 N ATOM 0 H LYS A 62 12.001 -0.093 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 62 11.318 1.417 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.719 1.188 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.527 1.997 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.600 -0.927 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.032 -0.352 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.728 0.976 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.096 1.228 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.526 -0.416 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.395 -1.553 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.510 -1.795 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.775 -1.274 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.903 -0.172 1.310 1.00 0.00 H new ATOM 932 N LEU A 63 11.416 -0.662 -4.119 1.00 0.00 N ATOM 933 CA LEU A 63 11.226 -1.937 -4.866 1.00 0.00 C ATOM 934 C LEU A 63 11.665 -1.747 -6.320 1.00 0.00 C ATOM 935 O LEU A 63 12.118 -0.688 -6.708 1.00 0.00 O ATOM 936 CB LEU A 63 9.749 -2.336 -4.828 1.00 0.00 C ATOM 937 CG LEU A 63 9.403 -2.880 -3.441 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.650 -1.811 -2.647 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.520 -4.120 -3.588 1.00 0.00 C ATOM 0 H LEU A 63 11.287 0.187 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 63 11.826 -2.721 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.123 -1.474 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.546 -3.091 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 63 10.320 -3.145 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.403 -2.198 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.277 -0.925 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.732 -1.546 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.272 -4.509 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.603 -3.853 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.055 -4.882 -4.155 1.00 0.00 H new ATOM 951 N LYS A 64 11.534 -2.764 -7.126 1.00 0.00 N ATOM 952 CA LYS A 64 11.944 -2.641 -8.553 1.00 0.00 C ATOM 953 C LYS A 64 10.736 -2.904 -9.455 1.00 0.00 C ATOM 954 O LYS A 64 9.845 -3.654 -9.109 1.00 0.00 O ATOM 955 CB LYS A 64 13.041 -3.664 -8.859 1.00 0.00 C ATOM 956 CG LYS A 64 14.282 -2.941 -9.386 1.00 0.00 C ATOM 957 CD LYS A 64 15.535 -3.728 -8.995 1.00 0.00 C ATOM 958 CE LYS A 64 16.781 -2.921 -9.365 1.00 0.00 C ATOM 959 NZ LYS A 64 17.116 -3.153 -10.798 1.00 0.00 N ATOM 0 H LYS A 64 11.161 -3.675 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 64 12.323 -1.636 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.290 -4.226 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.686 -4.384 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.225 -2.842 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.330 -1.932 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.528 -3.936 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.547 -4.691 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.605 -1.860 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.619 -3.215 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.963 -2.604 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.300 -4.165 -10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.319 -2.852 -11.394 1.00 0.00 H new ATOM 973 N GLU A 65 10.699 -2.291 -10.607 1.00 0.00 N ATOM 974 CA GLU A 65 9.550 -2.502 -11.530 1.00 0.00 C ATOM 975 C GLU A 65 9.187 -3.988 -11.566 1.00 0.00 C ATOM 976 O GLU A 65 10.031 -4.847 -11.407 1.00 0.00 O ATOM 977 CB GLU A 65 9.935 -2.037 -12.936 1.00 0.00 C ATOM 978 CG GLU A 65 10.991 -2.979 -13.515 1.00 0.00 C ATOM 979 CD GLU A 65 12.293 -2.836 -12.723 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.949 -1.820 -12.880 1.00 0.00 O ATOM 981 OE2 GLU A 65 12.610 -3.744 -11.973 1.00 0.00 O ATOM 0 H GLU A 65 11.417 -1.652 -10.948 1.00 0.00 H new ATOM 0 HA GLU A 65 8.692 -1.929 -11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.055 -2.022 -13.579 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.322 -1.018 -12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.638 -4.009 -13.471 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.165 -2.746 -14.566 1.00 0.00 H new ATOM 988 N GLY A 66 7.937 -4.299 -11.775 1.00 0.00 N ATOM 989 CA GLY A 66 7.521 -5.729 -11.821 1.00 0.00 C ATOM 990 C GLY A 66 7.071 -6.175 -10.429 1.00 0.00 C ATOM 991 O GLY A 66 6.450 -7.208 -10.269 1.00 0.00 O ATOM 0 H GLY A 66 7.185 -3.624 -11.916 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.709 -5.860 -12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.350 -6.349 -12.163 1.00 0.00 H new ATOM 995 N ASP A 67 7.376 -5.405 -9.420 1.00 0.00 N ATOM 996 CA ASP A 67 6.965 -5.786 -8.041 1.00 0.00 C ATOM 997 C ASP A 67 5.531 -5.315 -7.787 1.00 0.00 C ATOM 998 O ASP A 67 5.153 -4.220 -8.153 1.00 0.00 O ATOM 999 CB ASP A 67 7.904 -5.128 -7.028 1.00 0.00 C ATOM 1000 CG ASP A 67 9.270 -5.815 -7.076 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.454 -6.664 -7.932 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.109 -5.482 -6.255 1.00 0.00 O ATOM 0 H ASP A 67 7.892 -4.528 -9.492 1.00 0.00 H new ATOM 0 HA ASP A 67 7.016 -6.869 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.011 -4.067 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.483 -5.202 -6.025 1.00 0.00 H new ATOM 1007 N ALA A 68 4.729 -6.134 -7.164 1.00 0.00 N ATOM 1008 CA ALA A 68 3.321 -5.734 -6.887 1.00 0.00 C ATOM 1009 C ALA A 68 3.306 -4.571 -5.893 1.00 0.00 C ATOM 1010 O ALA A 68 4.335 -4.144 -5.406 1.00 0.00 O ATOM 1011 CB ALA A 68 2.560 -6.922 -6.293 1.00 0.00 C ATOM 0 H ALA A 68 4.988 -7.064 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 68 2.843 -5.424 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.530 -6.629 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.569 -7.751 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.038 -7.233 -5.364 1.00 0.00 H new ATOM 1017 N ILE A 69 2.147 -4.055 -5.587 1.00 0.00 N ATOM 1018 CA ILE A 69 2.067 -2.919 -4.624 1.00 0.00 C ATOM 1019 C ILE A 69 0.829 -3.086 -3.741 1.00 0.00 C ATOM 1020 O ILE A 69 0.925 -3.207 -2.536 1.00 0.00 O ATOM 1021 CB ILE A 69 1.969 -1.602 -5.395 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.315 -1.299 -6.058 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.613 -0.470 -4.430 1.00 0.00 C ATOM 1024 CD1 ILE A 69 3.136 -1.247 -7.576 1.00 0.00 C ATOM 0 H ILE A 69 1.252 -4.370 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 69 2.960 -2.908 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 69 1.196 -1.686 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.706 -0.349 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.044 -2.065 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.543 0.469 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.656 -0.684 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.386 -0.386 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.094 -1.031 -8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.764 -2.208 -7.932 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.421 -0.465 -7.832 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.336 -3.094 -4.331 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.579 -3.252 -3.524 1.00 0.00 C ATOM 1038 C ILE A 70 -2.584 -4.108 -4.298 1.00 0.00 C ATOM 1039 O ILE A 70 -2.274 -4.664 -5.333 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.186 -1.877 -3.246 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.057 -1.002 -4.495 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.444 -1.216 -2.083 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.426 -0.424 -4.858 1.00 0.00 C ATOM 0 H ILE A 70 -0.480 -2.998 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.339 -3.739 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.239 -1.991 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.346 -0.195 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.667 -1.591 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.877 -0.236 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.534 -1.839 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.391 -1.102 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.334 0.199 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.124 -1.238 -5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.798 0.179 -4.030 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.787 -4.217 -3.804 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.811 -5.037 -4.513 1.00 0.00 C ATOM 1057 C GLU A 71 -6.177 -4.357 -4.400 1.00 0.00 C ATOM 1058 O GLU A 71 -6.796 -4.353 -3.355 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.880 -6.427 -3.876 1.00 0.00 C ATOM 1060 CG GLU A 71 -4.706 -7.494 -4.959 1.00 0.00 C ATOM 1061 CD GLU A 71 -4.932 -8.879 -4.351 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -6.082 -9.263 -4.210 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -3.952 -9.534 -4.036 1.00 0.00 O ATOM 0 H GLU A 71 -4.105 -3.775 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.538 -5.131 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.102 -6.531 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.836 -6.560 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.412 -7.322 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.706 -7.432 -5.388 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.653 -3.781 -5.470 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.979 -3.103 -5.425 1.00 0.00 C ATOM 1072 C LEU A 72 -9.074 -4.097 -5.816 1.00 0.00 C ATOM 1073 O LEU A 72 -8.937 -4.845 -6.764 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.985 -1.925 -6.403 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.417 -1.423 -6.593 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.416 0.104 -6.689 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.997 -2.013 -7.880 1.00 0.00 C ATOM 0 H LEU A 72 -6.181 -3.751 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.165 -2.737 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.354 -1.121 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.567 -2.233 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.025 -1.733 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.437 0.461 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.003 0.526 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.807 0.415 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.018 -1.656 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.388 -1.703 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.999 -3.101 -7.813 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.160 -4.114 -5.092 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.262 -5.059 -5.424 1.00 0.00 C ATOM 1091 C GLU A 73 -12.515 -4.265 -5.812 1.00 0.00 C ATOM 1092 O GLU A 73 -12.796 -3.236 -5.230 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.567 -5.932 -4.204 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.804 -6.790 -4.482 1.00 0.00 C ATOM 1095 CD GLU A 73 -13.367 -7.317 -3.161 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -12.687 -8.102 -2.522 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -14.469 -6.929 -2.813 1.00 0.00 O ATOM 0 H GLU A 73 -10.331 -3.514 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.961 -5.692 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.713 -6.570 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.736 -5.305 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.559 -6.200 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.543 -7.622 -5.136 1.00 0.00 H new ATOM 1104 N PRO A 74 -13.232 -4.768 -6.785 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.465 -4.127 -7.275 1.00 0.00 C ATOM 1106 C PRO A 74 -15.630 -4.414 -6.324 1.00 0.00 C ATOM 1107 O PRO A 74 -16.227 -5.472 -6.360 1.00 0.00 O ATOM 1108 CB PRO A 74 -14.696 -4.787 -8.636 1.00 0.00 C ATOM 1109 CG PRO A 74 -13.941 -6.137 -8.601 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.883 -6.020 -7.487 1.00 0.00 C ATOM 0 HA PRO A 74 -14.388 -3.042 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.760 -4.942 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.324 -4.155 -9.442 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.627 -6.960 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.470 -6.343 -9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.917 -6.877 -6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.875 -5.978 -7.898 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.959 -3.480 -5.474 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.084 -3.702 -4.522 1.00 0.00 C ATOM 1120 C ALA A 75 -18.412 -3.431 -5.232 1.00 0.00 C ATOM 1121 O ALA A 75 -18.458 -2.788 -6.262 1.00 0.00 O ATOM 1122 CB ALA A 75 -16.940 -2.753 -3.331 1.00 0.00 C ATOM 0 H ALA A 75 -15.498 -2.573 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.063 -4.733 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.763 -2.915 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.994 -2.945 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.961 -1.722 -3.683 1.00 0.00 H new ATOM 1128 N ALA A 76 -19.495 -3.916 -4.690 1.00 0.00 N ATOM 1129 CA ALA A 76 -20.820 -3.685 -5.333 1.00 0.00 C ATOM 1130 C ALA A 76 -20.903 -4.487 -6.634 1.00 0.00 C ATOM 1131 O ALA A 76 -21.711 -4.207 -7.497 1.00 0.00 O ATOM 1132 CB ALA A 76 -20.983 -2.196 -5.643 1.00 0.00 C ATOM 0 H ALA A 76 -19.520 -4.463 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 76 -21.612 -4.006 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.952 -2.026 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -20.923 -1.623 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.190 -1.876 -6.319 1.00 0.00 H new ATOM 1138 N GLY A 77 -20.075 -5.485 -6.780 1.00 0.00 N ATOM 1139 CA GLY A 77 -20.107 -6.304 -8.025 1.00 0.00 C ATOM 1140 C GLY A 77 -19.442 -7.656 -7.766 1.00 0.00 C ATOM 1141 O GLY A 77 -18.378 -7.734 -7.186 1.00 0.00 O ATOM 0 H GLY A 77 -19.378 -5.769 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -21.137 -6.450 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.590 -5.781 -8.830 1.00 0.00 H new ATOM 1145 N ALA A 78 -20.060 -8.724 -8.193 1.00 0.00 N ATOM 1146 CA ALA A 78 -19.462 -10.070 -7.971 1.00 0.00 C ATOM 1147 C ALA A 78 -20.305 -11.128 -8.686 1.00 0.00 C ATOM 1148 O ALA A 78 -21.513 -11.022 -8.766 1.00 0.00 O ATOM 1149 CB ALA A 78 -19.430 -10.373 -6.471 1.00 0.00 C ATOM 0 H ALA A 78 -20.953 -8.722 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 78 -18.447 -10.086 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -18.992 -11.358 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -18.829 -9.620 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -20.445 -10.357 -6.075 1.00 0.00 H new ATOM 1155 N ARG A 79 -19.679 -12.147 -9.206 1.00 0.00 N ATOM 1156 CA ARG A 79 -20.444 -13.210 -9.916 1.00 0.00 C ATOM 1157 C ARG A 79 -21.434 -12.564 -10.886 1.00 0.00 C ATOM 1158 O ARG A 79 -22.600 -12.473 -10.540 1.00 0.00 O ATOM 1159 CB ARG A 79 -21.210 -14.055 -8.894 1.00 0.00 C ATOM 1160 CG ARG A 79 -20.245 -14.553 -7.817 1.00 0.00 C ATOM 1161 CD ARG A 79 -20.753 -14.128 -6.438 1.00 0.00 C ATOM 1162 NE ARG A 79 -21.887 -15.007 -6.035 1.00 0.00 N ATOM 1163 CZ ARG A 79 -22.780 -14.572 -5.189 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -22.566 -14.671 -3.905 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -23.889 -14.039 -5.625 1.00 0.00 N ATOM 0 H ARG A 79 -18.670 -12.290 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 79 -19.754 -13.846 -10.471 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -22.005 -13.463 -8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -21.686 -14.901 -9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -20.159 -15.638 -7.865 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -19.249 -14.146 -7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.949 -14.195 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -21.076 -13.087 -6.462 1.00 0.00 H new ATOM 0 HE ARG A 79 -21.965 -15.948 -6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -21.700 -15.088 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -23.264 -14.331 -3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -24.058 -13.962 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -24.586 -13.699 -4.963 1.00 0.00 H new TER 1179 ARG A 79