USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 576 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+ -115:sc= 0.08 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.116) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.119) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0901 USER MOD Single : A 42 MET CE :methyl 143:sc= -0.276 (180deg=-1.39!) USER MOD Single : A 46 SER OG : rot -88:sc= 0 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 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -0.156 (180deg=-0.6) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 0.0958 (180deg=0.0179) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= 0.17 (180deg=0.0554) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.151 -8.002 -8.099 1.00 0.00 N ATOM 2 CA SER A 1 -10.015 -7.283 -7.453 1.00 0.00 C ATOM 3 C SER A 1 -8.716 -7.614 -8.191 1.00 0.00 C ATOM 4 O SER A 1 -8.624 -8.602 -8.892 1.00 0.00 O ATOM 5 CB SER A 1 -9.899 -7.722 -5.994 1.00 0.00 C ATOM 6 OG SER A 1 -9.726 -9.133 -5.940 1.00 0.00 O ATOM 0 H1 SER A 1 -11.808 -7.311 -8.515 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.786 -8.627 -8.846 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.652 -8.570 -7.387 1.00 0.00 H new ATOM 0 HA SER A 1 -10.193 -6.208 -7.496 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.055 -7.222 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.794 -7.432 -5.443 1.00 0.00 H new ATOM 0 HG SER A 1 -9.650 -9.418 -5.005 1.00 0.00 H new ATOM 14 N GLU A 2 -7.712 -6.795 -8.040 1.00 0.00 N ATOM 15 CA GLU A 2 -6.420 -7.064 -8.732 1.00 0.00 C ATOM 16 C GLU A 2 -5.263 -6.559 -7.868 1.00 0.00 C ATOM 17 O GLU A 2 -5.404 -5.616 -7.114 1.00 0.00 O ATOM 18 CB GLU A 2 -6.404 -6.340 -10.081 1.00 0.00 C ATOM 19 CG GLU A 2 -7.256 -7.116 -11.087 1.00 0.00 C ATOM 20 CD GLU A 2 -6.534 -7.170 -12.434 1.00 0.00 C ATOM 21 OE1 GLU A 2 -5.321 -7.297 -12.428 1.00 0.00 O ATOM 22 OE2 GLU A 2 -7.206 -7.083 -13.448 1.00 0.00 O ATOM 0 H GLU A 2 -7.730 -5.951 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.311 -8.136 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.790 -5.327 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.381 -6.252 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.440 -8.126 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.228 -6.636 -11.203 1.00 0.00 H new ATOM 29 N ILE A 3 -4.119 -7.179 -7.969 1.00 0.00 N ATOM 30 CA ILE A 3 -2.955 -6.734 -7.153 1.00 0.00 C ATOM 31 C ILE A 3 -2.118 -5.737 -7.956 1.00 0.00 C ATOM 32 O ILE A 3 -1.774 -5.977 -9.097 1.00 0.00 O ATOM 33 CB ILE A 3 -2.095 -7.945 -6.792 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.012 -7.521 -5.795 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.434 -8.498 -8.055 1.00 0.00 C ATOM 36 CD1 ILE A 3 -1.482 -7.825 -4.372 1.00 0.00 C ATOM 0 H ILE A 3 -3.941 -7.975 -8.582 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.313 -6.255 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.723 -8.715 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.083 -8.051 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.802 -6.457 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.821 -9.361 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.203 -8.799 -8.766 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.806 -7.728 -8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.712 -7.523 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.400 -7.275 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.670 -8.894 -4.271 1.00 0.00 H new ATOM 48 N ILE A 4 -1.787 -4.618 -7.370 1.00 0.00 N ATOM 49 CA ILE A 4 -0.972 -3.607 -8.101 1.00 0.00 C ATOM 50 C ILE A 4 0.509 -3.820 -7.780 1.00 0.00 C ATOM 51 O ILE A 4 0.911 -3.821 -6.633 1.00 0.00 O ATOM 52 CB ILE A 4 -1.391 -2.202 -7.666 1.00 0.00 C ATOM 53 CG1 ILE A 4 -2.914 -2.076 -7.756 1.00 0.00 C ATOM 54 CG2 ILE A 4 -0.740 -1.167 -8.584 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.387 -2.564 -9.126 1.00 0.00 C ATOM 0 H ILE A 4 -2.046 -4.361 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.132 -3.717 -9.174 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.070 -2.028 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.385 -2.662 -6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.213 -1.039 -7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.039 -0.166 -8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.345 -1.257 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.061 -1.339 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.471 -2.474 -9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.926 -1.959 -9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.101 -3.607 -9.259 1.00 0.00 H new ATOM 67 N ARG A 5 1.324 -4.002 -8.782 1.00 0.00 N ATOM 68 CA ARG A 5 2.777 -4.216 -8.532 1.00 0.00 C ATOM 69 C ARG A 5 3.582 -3.094 -9.191 1.00 0.00 C ATOM 70 O ARG A 5 3.113 -2.430 -10.095 1.00 0.00 O ATOM 71 CB ARG A 5 3.202 -5.562 -9.123 1.00 0.00 C ATOM 72 CG ARG A 5 3.062 -5.518 -10.645 1.00 0.00 C ATOM 73 CD ARG A 5 3.152 -6.938 -11.208 1.00 0.00 C ATOM 74 NE ARG A 5 2.259 -7.060 -12.395 1.00 0.00 N ATOM 75 CZ ARG A 5 0.972 -6.897 -12.261 1.00 0.00 C ATOM 76 NH1 ARG A 5 0.230 -7.883 -11.835 1.00 0.00 N ATOM 77 NH2 ARG A 5 0.424 -5.749 -12.554 1.00 0.00 N ATOM 0 H ARG A 5 1.046 -4.012 -9.763 1.00 0.00 H new ATOM 0 HA ARG A 5 2.964 -4.213 -7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.234 -5.782 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.585 -6.362 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.109 -5.066 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.846 -4.895 -11.075 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.181 -7.165 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.863 -7.662 -10.446 1.00 0.00 H new ATOM 0 HE ARG A 5 2.654 -7.271 -13.311 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.657 -8.781 -11.607 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.777 -7.755 -11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.002 -4.978 -12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.583 -5.623 -12.449 1.00 0.00 H new ATOM 91 N VAL A 6 4.789 -2.878 -8.746 1.00 0.00 N ATOM 92 CA VAL A 6 5.627 -1.800 -9.346 1.00 0.00 C ATOM 93 C VAL A 6 5.491 -1.838 -10.873 1.00 0.00 C ATOM 94 O VAL A 6 6.074 -2.686 -11.520 1.00 0.00 O ATOM 95 CB VAL A 6 7.091 -2.024 -8.962 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.957 -0.935 -9.596 1.00 0.00 C ATOM 97 CG2 VAL A 6 7.232 -1.965 -7.439 1.00 0.00 C ATOM 0 H VAL A 6 5.232 -3.402 -7.992 1.00 0.00 H new ATOM 0 HA VAL A 6 5.295 -0.831 -8.975 1.00 0.00 H new ATOM 0 HB VAL A 6 7.416 -3.001 -9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.000 -1.094 -9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.856 -0.975 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.633 0.042 -9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.275 -2.124 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.908 -0.988 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.614 -2.741 -6.986 1.00 0.00 H new ATOM 107 N PRO A 7 4.727 -0.917 -11.406 1.00 0.00 N ATOM 108 CA PRO A 7 4.498 -0.821 -12.859 1.00 0.00 C ATOM 109 C PRO A 7 5.703 -0.176 -13.549 1.00 0.00 C ATOM 110 O PRO A 7 6.746 0.009 -12.956 1.00 0.00 O ATOM 111 CB PRO A 7 3.259 0.072 -12.969 1.00 0.00 C ATOM 112 CG PRO A 7 3.190 0.886 -11.656 1.00 0.00 C ATOM 113 CD PRO A 7 4.022 0.113 -10.615 1.00 0.00 C ATOM 0 HA PRO A 7 4.360 -1.791 -13.337 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.332 0.733 -13.832 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.359 -0.528 -13.102 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.588 1.890 -11.801 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.158 0.997 -11.323 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.724 0.769 -10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.387 -0.337 -9.852 1.00 0.00 H new ATOM 121 N ASP A 8 5.565 0.167 -14.801 1.00 0.00 N ATOM 122 CA ASP A 8 6.700 0.799 -15.530 1.00 0.00 C ATOM 123 C ASP A 8 6.957 2.194 -14.959 1.00 0.00 C ATOM 124 O ASP A 8 6.275 3.145 -15.286 1.00 0.00 O ATOM 125 CB ASP A 8 6.352 0.912 -17.016 1.00 0.00 C ATOM 126 CG ASP A 8 7.615 1.242 -17.812 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.246 2.240 -17.499 1.00 0.00 O ATOM 128 OD2 ASP A 8 7.932 0.493 -18.721 1.00 0.00 O ATOM 0 H ASP A 8 4.715 0.037 -15.350 1.00 0.00 H new ATOM 0 HA ASP A 8 7.594 0.187 -15.412 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.919 -0.023 -17.371 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.601 1.688 -17.167 1.00 0.00 H new ATOM 133 N ILE A 9 7.935 2.325 -14.107 1.00 0.00 N ATOM 134 CA ILE A 9 8.234 3.658 -13.513 1.00 0.00 C ATOM 135 C ILE A 9 9.508 4.220 -14.147 1.00 0.00 C ATOM 136 O ILE A 9 9.583 5.385 -14.482 1.00 0.00 O ATOM 137 CB ILE A 9 8.437 3.532 -11.995 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.423 2.058 -11.571 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.311 4.272 -11.272 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.674 1.956 -10.066 1.00 0.00 C ATOM 0 H ILE A 9 8.541 1.566 -13.796 1.00 0.00 H new ATOM 0 HA ILE A 9 7.395 4.327 -13.705 1.00 0.00 H new ATOM 0 HB ILE A 9 9.402 3.966 -11.733 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.463 1.606 -11.822 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.188 1.505 -12.116 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.451 4.185 -10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.326 5.324 -11.556 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.352 3.835 -11.549 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.664 0.908 -9.766 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.644 2.392 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.893 2.495 -9.530 1.00 0.00 H new ATOM 152 N GLY A 10 10.510 3.401 -14.316 1.00 0.00 N ATOM 153 CA GLY A 10 11.777 3.890 -14.928 1.00 0.00 C ATOM 154 C GLY A 10 12.951 3.570 -14.001 1.00 0.00 C ATOM 155 O GLY A 10 13.901 4.322 -13.907 1.00 0.00 O ATOM 0 H GLY A 10 10.506 2.415 -14.057 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.929 3.420 -15.899 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.719 4.965 -15.100 1.00 0.00 H new ATOM 159 N GLY A 11 12.893 2.462 -13.315 1.00 0.00 N ATOM 160 CA GLY A 11 14.006 2.097 -12.394 1.00 0.00 C ATOM 161 C GLY A 11 13.446 1.333 -11.192 1.00 0.00 C ATOM 162 O GLY A 11 12.659 0.419 -11.337 1.00 0.00 O ATOM 0 H GLY A 11 12.123 1.794 -13.352 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.739 1.484 -12.918 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.523 2.996 -12.058 1.00 0.00 H new ATOM 166 N ASP A 12 13.846 1.701 -10.005 1.00 0.00 N ATOM 167 CA ASP A 12 13.337 0.995 -8.796 1.00 0.00 C ATOM 168 C ASP A 12 12.245 1.839 -8.136 1.00 0.00 C ATOM 169 O ASP A 12 12.383 3.036 -7.978 1.00 0.00 O ATOM 170 CB ASP A 12 14.485 0.783 -7.808 1.00 0.00 C ATOM 171 CG ASP A 12 15.503 -0.189 -8.409 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.411 -0.453 -9.596 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.357 -0.653 -7.672 1.00 0.00 O ATOM 0 H ASP A 12 14.503 2.459 -9.821 1.00 0.00 H new ATOM 0 HA ASP A 12 12.925 0.029 -9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.965 1.735 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.101 0.388 -6.867 1.00 0.00 H new ATOM 178 N GLY A 13 11.160 1.227 -7.748 1.00 0.00 N ATOM 179 CA GLY A 13 10.062 1.995 -7.099 1.00 0.00 C ATOM 180 C GLY A 13 10.324 2.092 -5.595 1.00 0.00 C ATOM 181 O GLY A 13 10.336 1.101 -4.892 1.00 0.00 O ATOM 0 H GLY A 13 10.987 0.227 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.997 2.993 -7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.105 1.506 -7.281 1.00 0.00 H new ATOM 185 N GLU A 14 10.533 3.279 -5.095 1.00 0.00 N ATOM 186 CA GLU A 14 10.793 3.437 -3.636 1.00 0.00 C ATOM 187 C GLU A 14 9.620 4.172 -2.986 1.00 0.00 C ATOM 188 O GLU A 14 9.472 5.371 -3.122 1.00 0.00 O ATOM 189 CB GLU A 14 12.077 4.246 -3.433 1.00 0.00 C ATOM 190 CG GLU A 14 13.251 3.291 -3.205 1.00 0.00 C ATOM 191 CD GLU A 14 14.561 4.083 -3.212 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.595 5.128 -3.840 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.507 3.628 -2.590 1.00 0.00 O ATOM 0 H GLU A 14 10.535 4.146 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 14 10.905 2.454 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.267 4.871 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.967 4.915 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.132 2.772 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.270 2.529 -3.984 1.00 0.00 H new ATOM 200 N VAL A 15 8.782 3.464 -2.279 1.00 0.00 N ATOM 201 CA VAL A 15 7.619 4.122 -1.622 1.00 0.00 C ATOM 202 C VAL A 15 8.111 5.281 -0.754 1.00 0.00 C ATOM 203 O VAL A 15 9.085 5.162 -0.037 1.00 0.00 O ATOM 204 CB VAL A 15 6.885 3.105 -0.746 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.631 3.751 -0.154 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.482 1.897 -1.595 1.00 0.00 C ATOM 0 H VAL A 15 8.853 2.458 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 15 6.939 4.503 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 15 7.542 2.781 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.108 3.026 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.916 4.612 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.974 4.076 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.959 1.172 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.825 2.222 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.374 1.435 -2.017 1.00 0.00 H new ATOM 216 N ILE A 16 7.446 6.403 -0.812 1.00 0.00 N ATOM 217 CA ILE A 16 7.877 7.568 0.011 1.00 0.00 C ATOM 218 C ILE A 16 6.684 8.095 0.812 1.00 0.00 C ATOM 219 O ILE A 16 6.820 8.505 1.948 1.00 0.00 O ATOM 220 CB ILE A 16 8.403 8.672 -0.906 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.403 8.076 -1.900 1.00 0.00 C ATOM 222 CG2 ILE A 16 9.100 9.746 -0.067 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.570 7.449 -1.136 1.00 0.00 C ATOM 0 H ILE A 16 6.623 6.563 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 16 8.666 7.258 0.696 1.00 0.00 H new ATOM 0 HB ILE A 16 7.570 9.119 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.913 7.324 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.770 8.852 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.475 10.533 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.390 10.172 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.932 9.299 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.282 7.025 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.065 8.213 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.196 6.662 -0.482 1.00 0.00 H new ATOM 235 N GLU A 17 5.516 8.086 0.230 1.00 0.00 N ATOM 236 CA GLU A 17 4.317 8.586 0.959 1.00 0.00 C ATOM 237 C GLU A 17 3.095 7.755 0.562 1.00 0.00 C ATOM 238 O GLU A 17 3.049 7.171 -0.503 1.00 0.00 O ATOM 239 CB GLU A 17 4.075 10.053 0.596 1.00 0.00 C ATOM 240 CG GLU A 17 4.285 10.927 1.834 1.00 0.00 C ATOM 241 CD GLU A 17 5.490 11.844 1.613 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.304 11.525 0.762 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.578 12.850 2.299 1.00 0.00 O ATOM 0 H GLU A 17 5.341 7.754 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 17 4.482 8.499 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.756 10.359 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.062 10.182 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.393 11.522 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.447 10.301 2.711 1.00 0.00 H new ATOM 250 N LEU A 18 2.105 7.696 1.410 1.00 0.00 N ATOM 251 CA LEU A 18 0.888 6.903 1.081 1.00 0.00 C ATOM 252 C LEU A 18 -0.325 7.833 1.013 1.00 0.00 C ATOM 253 O LEU A 18 -0.632 8.537 1.955 1.00 0.00 O ATOM 254 CB LEU A 18 0.660 5.845 2.164 1.00 0.00 C ATOM 255 CG LEU A 18 0.626 4.457 1.522 1.00 0.00 C ATOM 256 CD1 LEU A 18 0.421 3.398 2.607 1.00 0.00 C ATOM 257 CD2 LEU A 18 -0.528 4.388 0.519 1.00 0.00 C ATOM 0 H LEU A 18 2.087 8.163 2.317 1.00 0.00 H new ATOM 0 HA LEU A 18 1.024 6.413 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.455 5.894 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.277 6.039 2.686 1.00 0.00 H new ATOM 0 HG LEU A 18 1.568 4.272 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.397 2.409 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.242 3.447 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.522 3.583 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.553 3.399 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.470 4.573 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.384 5.143 -0.254 1.00 0.00 H new ATOM 269 N LEU A 19 -1.017 7.843 -0.092 1.00 0.00 N ATOM 270 CA LEU A 19 -2.208 8.729 -0.218 1.00 0.00 C ATOM 271 C LEU A 19 -3.468 7.950 0.165 1.00 0.00 C ATOM 272 O LEU A 19 -4.576 8.413 -0.020 1.00 0.00 O ATOM 273 CB LEU A 19 -2.330 9.217 -1.664 1.00 0.00 C ATOM 274 CG LEU A 19 -1.017 9.871 -2.095 1.00 0.00 C ATOM 275 CD1 LEU A 19 -0.826 9.688 -3.601 1.00 0.00 C ATOM 276 CD2 LEU A 19 -1.060 11.365 -1.767 1.00 0.00 C ATOM 0 H LEU A 19 -0.809 7.276 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.095 9.585 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.565 8.381 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.149 9.931 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.188 9.404 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.110 10.154 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.796 8.624 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.655 10.155 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.124 11.832 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.890 11.831 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.197 11.498 -0.694 1.00 0.00 H new ATOM 288 N VAL A 20 -3.308 6.770 0.699 1.00 0.00 N ATOM 289 CA VAL A 20 -4.498 5.964 1.094 1.00 0.00 C ATOM 290 C VAL A 20 -4.166 5.139 2.339 1.00 0.00 C ATOM 291 O VAL A 20 -3.046 5.134 2.811 1.00 0.00 O ATOM 292 CB VAL A 20 -4.879 5.025 -0.052 1.00 0.00 C ATOM 293 CG1 VAL A 20 -5.571 5.824 -1.159 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.617 4.367 -0.613 1.00 0.00 C ATOM 0 H VAL A 20 -2.406 6.330 0.879 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.332 6.631 1.312 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.557 4.256 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.842 5.155 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.470 6.294 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.894 6.593 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.888 3.698 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.940 5.136 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.123 3.797 0.174 1.00 0.00 H new ATOM 304 N LYS A 21 -5.130 4.442 2.875 1.00 0.00 N ATOM 305 CA LYS A 21 -4.869 3.618 4.088 1.00 0.00 C ATOM 306 C LYS A 21 -5.598 2.279 3.962 1.00 0.00 C ATOM 307 O LYS A 21 -6.024 1.892 2.892 1.00 0.00 O ATOM 308 CB LYS A 21 -5.376 4.361 5.327 1.00 0.00 C ATOM 309 CG LYS A 21 -4.519 3.980 6.536 1.00 0.00 C ATOM 310 CD LYS A 21 -4.223 5.231 7.366 1.00 0.00 C ATOM 311 CE LYS A 21 -5.533 5.955 7.682 1.00 0.00 C ATOM 312 NZ LYS A 21 -6.357 5.115 8.596 1.00 0.00 N ATOM 0 H LYS A 21 -6.087 4.408 2.525 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.798 3.440 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.333 5.438 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.420 4.109 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.039 3.241 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.587 3.521 6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.715 4.955 8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.552 5.893 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.325 6.919 8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.081 6.155 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.173 5.665 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.693 4.274 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.781 4.819 9.409 1.00 0.00 H new ATOM 326 N THR A 22 -5.744 1.567 5.046 1.00 0.00 N ATOM 327 CA THR A 22 -6.445 0.254 4.986 1.00 0.00 C ATOM 328 C THR A 22 -7.954 0.475 5.100 1.00 0.00 C ATOM 329 O THR A 22 -8.416 1.290 5.872 1.00 0.00 O ATOM 330 CB THR A 22 -5.970 -0.629 6.144 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.550 -0.675 6.150 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.527 -2.044 5.970 1.00 0.00 C ATOM 0 H THR A 22 -5.408 1.838 5.970 1.00 0.00 H new ATOM 0 HA THR A 22 -6.221 -0.235 4.038 1.00 0.00 H new ATOM 0 HB THR A 22 -6.325 -0.214 7.088 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.244 -1.238 6.891 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.189 -2.672 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.616 -2.008 5.965 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.173 -2.461 5.027 1.00 0.00 H new ATOM 340 N GLY A 23 -8.727 -0.246 4.334 1.00 0.00 N ATOM 341 CA GLY A 23 -10.207 -0.078 4.399 1.00 0.00 C ATOM 342 C GLY A 23 -10.585 1.318 3.901 1.00 0.00 C ATOM 343 O GLY A 23 -11.712 1.752 4.037 1.00 0.00 O ATOM 0 H GLY A 23 -8.398 -0.944 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.697 -0.838 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.555 -0.217 5.423 1.00 0.00 H new ATOM 347 N ASP A 24 -9.653 2.026 3.323 1.00 0.00 N ATOM 348 CA ASP A 24 -9.961 3.393 2.817 1.00 0.00 C ATOM 349 C ASP A 24 -10.553 3.294 1.409 1.00 0.00 C ATOM 350 O ASP A 24 -10.058 2.573 0.567 1.00 0.00 O ATOM 351 CB ASP A 24 -8.675 4.222 2.773 1.00 0.00 C ATOM 352 CG ASP A 24 -8.385 4.787 4.165 1.00 0.00 C ATOM 353 OD1 ASP A 24 -8.969 4.294 5.116 1.00 0.00 O ATOM 354 OD2 ASP A 24 -7.583 5.702 4.256 1.00 0.00 O ATOM 0 H ASP A 24 -8.692 1.716 3.180 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.680 3.873 3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.842 3.603 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.778 5.034 2.053 1.00 0.00 H new ATOM 359 N LEU A 25 -11.609 4.015 1.147 1.00 0.00 N ATOM 360 CA LEU A 25 -12.231 3.963 -0.205 1.00 0.00 C ATOM 361 C LEU A 25 -11.566 5.000 -1.112 1.00 0.00 C ATOM 362 O LEU A 25 -11.616 6.186 -0.856 1.00 0.00 O ATOM 363 CB LEU A 25 -13.726 4.267 -0.092 1.00 0.00 C ATOM 364 CG LEU A 25 -14.531 3.036 -0.513 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.404 2.836 -2.025 1.00 0.00 C ATOM 366 CD2 LEU A 25 -13.988 1.803 0.211 1.00 0.00 C ATOM 0 H LEU A 25 -12.068 4.638 1.812 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.095 2.968 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.975 4.544 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.984 5.117 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.580 3.180 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.977 1.959 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.788 3.715 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.356 2.691 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.560 0.925 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.940 1.660 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.077 1.945 1.288 1.00 0.00 H new ATOM 378 N ILE A 26 -10.943 4.562 -2.172 1.00 0.00 N ATOM 379 CA ILE A 26 -10.275 5.519 -3.094 1.00 0.00 C ATOM 380 C ILE A 26 -11.209 5.823 -4.269 1.00 0.00 C ATOM 381 O ILE A 26 -12.362 5.437 -4.273 1.00 0.00 O ATOM 382 CB ILE A 26 -8.984 4.889 -3.614 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.351 4.036 -2.511 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.002 5.986 -4.029 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.146 3.282 -3.075 1.00 0.00 C ATOM 0 H ILE A 26 -10.869 3.580 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.044 6.445 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.214 4.263 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.040 4.670 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.083 3.331 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.083 5.531 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.448 6.595 -4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.774 6.615 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.696 2.675 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.470 2.636 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.412 3.996 -3.447 1.00 0.00 H new ATOM 397 N GLU A 27 -10.724 6.510 -5.265 1.00 0.00 N ATOM 398 CA GLU A 27 -11.586 6.837 -6.436 1.00 0.00 C ATOM 399 C GLU A 27 -10.728 6.885 -7.702 1.00 0.00 C ATOM 400 O GLU A 27 -9.541 7.140 -7.649 1.00 0.00 O ATOM 401 CB GLU A 27 -12.250 8.198 -6.217 1.00 0.00 C ATOM 402 CG GLU A 27 -13.432 8.349 -7.177 1.00 0.00 C ATOM 403 CD GLU A 27 -14.613 8.981 -6.436 1.00 0.00 C ATOM 404 OE1 GLU A 27 -14.656 10.197 -6.359 1.00 0.00 O ATOM 405 OE2 GLU A 27 -15.454 8.236 -5.959 1.00 0.00 O ATOM 0 H GLU A 27 -9.767 6.860 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.355 6.072 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.592 8.286 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.528 8.998 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.147 8.970 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.718 7.375 -7.575 1.00 0.00 H new ATOM 412 N VAL A 28 -11.317 6.640 -8.839 1.00 0.00 N ATOM 413 CA VAL A 28 -10.533 6.672 -10.107 1.00 0.00 C ATOM 414 C VAL A 28 -10.180 8.120 -10.453 1.00 0.00 C ATOM 415 O VAL A 28 -10.863 8.768 -11.221 1.00 0.00 O ATOM 416 CB VAL A 28 -11.367 6.066 -11.238 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.705 6.803 -11.337 1.00 0.00 C ATOM 418 CG2 VAL A 28 -10.609 6.207 -12.559 1.00 0.00 C ATOM 0 H VAL A 28 -12.307 6.419 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.617 6.095 -9.982 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.548 5.011 -11.032 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.299 6.372 -12.143 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.245 6.705 -10.395 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -12.525 7.858 -11.544 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.201 5.776 -13.366 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.429 7.262 -12.764 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.656 5.683 -12.489 1.00 0.00 H new ATOM 428 N GLU A 29 -9.117 8.631 -9.893 1.00 0.00 N ATOM 429 CA GLU A 29 -8.716 10.034 -10.189 1.00 0.00 C ATOM 430 C GLU A 29 -7.735 10.520 -9.121 1.00 0.00 C ATOM 431 O GLU A 29 -6.854 11.313 -9.389 1.00 0.00 O ATOM 432 CB GLU A 29 -9.954 10.933 -10.191 1.00 0.00 C ATOM 433 CG GLU A 29 -10.292 11.337 -11.627 1.00 0.00 C ATOM 434 CD GLU A 29 -9.753 12.742 -11.902 1.00 0.00 C ATOM 435 OE1 GLU A 29 -8.622 13.005 -11.529 1.00 0.00 O ATOM 436 OE2 GLU A 29 -10.481 13.531 -12.481 1.00 0.00 O ATOM 0 H GLU A 29 -8.508 8.135 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.238 10.074 -11.168 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.797 10.409 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.772 11.821 -9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.857 10.625 -12.328 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.371 11.314 -11.778 1.00 0.00 H new ATOM 443 N GLN A 30 -7.880 10.053 -7.911 1.00 0.00 N ATOM 444 CA GLN A 30 -6.956 10.489 -6.828 1.00 0.00 C ATOM 445 C GLN A 30 -5.632 9.733 -6.949 1.00 0.00 C ATOM 446 O GLN A 30 -5.579 8.632 -7.462 1.00 0.00 O ATOM 447 CB GLN A 30 -7.589 10.194 -5.467 1.00 0.00 C ATOM 448 CG GLN A 30 -7.848 11.507 -4.728 1.00 0.00 C ATOM 449 CD GLN A 30 -8.648 11.228 -3.453 1.00 0.00 C ATOM 450 OE1 GLN A 30 -9.542 11.974 -3.107 1.00 0.00 O ATOM 451 NE2 GLN A 30 -8.361 10.177 -2.736 1.00 0.00 N ATOM 0 H GLN A 30 -8.599 9.388 -7.626 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.772 11.559 -6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.524 9.649 -5.600 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.929 9.557 -4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.902 11.988 -4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.397 12.196 -5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.610 9.551 -3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.887 9.981 -1.884 1.00 0.00 H new ATOM 460 N GLY A 31 -4.561 10.313 -6.479 1.00 0.00 N ATOM 461 CA GLY A 31 -3.242 9.625 -6.567 1.00 0.00 C ATOM 462 C GLY A 31 -3.311 8.292 -5.822 1.00 0.00 C ATOM 463 O GLY A 31 -4.376 7.758 -5.583 1.00 0.00 O ATOM 0 H GLY A 31 -4.543 11.233 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.977 9.457 -7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.462 10.254 -6.137 1.00 0.00 H new ATOM 467 N LEU A 32 -2.183 7.748 -5.452 1.00 0.00 N ATOM 468 CA LEU A 32 -2.188 6.449 -4.722 1.00 0.00 C ATOM 469 C LEU A 32 -0.860 6.275 -3.982 1.00 0.00 C ATOM 470 O LEU A 32 -0.793 6.379 -2.773 1.00 0.00 O ATOM 471 CB LEU A 32 -2.371 5.302 -5.718 1.00 0.00 C ATOM 472 CG LEU A 32 -3.355 4.281 -5.146 1.00 0.00 C ATOM 473 CD1 LEU A 32 -2.845 3.781 -3.793 1.00 0.00 C ATOM 474 CD2 LEU A 32 -4.724 4.942 -4.961 1.00 0.00 C ATOM 0 H LEU A 32 -1.260 8.147 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.009 6.440 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.741 5.687 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.412 4.825 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.445 3.440 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.547 3.053 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.870 3.311 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.754 4.622 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.427 4.215 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.632 5.783 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.089 5.299 -5.924 1.00 0.00 H new ATOM 486 N VAL A 33 0.198 6.010 -4.698 1.00 0.00 N ATOM 487 CA VAL A 33 1.520 5.829 -4.033 1.00 0.00 C ATOM 488 C VAL A 33 2.502 6.879 -4.554 1.00 0.00 C ATOM 489 O VAL A 33 2.402 7.334 -5.676 1.00 0.00 O ATOM 490 CB VAL A 33 2.058 4.430 -4.340 1.00 0.00 C ATOM 491 CG1 VAL A 33 0.984 3.388 -4.022 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.430 4.342 -5.822 1.00 0.00 C ATOM 0 H VAL A 33 0.205 5.911 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 33 1.403 5.945 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 33 2.941 4.239 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.368 2.392 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.717 3.451 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.101 3.578 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.814 3.346 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.546 4.534 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.195 5.084 -6.050 1.00 0.00 H new ATOM 502 N VAL A 34 3.452 7.267 -3.748 1.00 0.00 N ATOM 503 CA VAL A 34 4.440 8.287 -4.197 1.00 0.00 C ATOM 504 C VAL A 34 5.842 7.674 -4.195 1.00 0.00 C ATOM 505 O VAL A 34 6.597 7.831 -3.256 1.00 0.00 O ATOM 506 CB VAL A 34 4.406 9.486 -3.247 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.288 10.604 -3.803 1.00 0.00 C ATOM 508 CG2 VAL A 34 2.968 9.989 -3.115 1.00 0.00 C ATOM 0 H VAL A 34 3.586 6.921 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 34 4.188 8.616 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 34 4.778 9.184 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.263 11.458 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.313 10.246 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.917 10.907 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.942 10.843 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.597 10.290 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.339 9.192 -2.718 1.00 0.00 H new ATOM 518 N LEU A 35 6.197 6.976 -5.239 1.00 0.00 N ATOM 519 CA LEU A 35 7.549 6.353 -5.295 1.00 0.00 C ATOM 520 C LEU A 35 8.529 7.322 -5.959 1.00 0.00 C ATOM 521 O LEU A 35 8.167 8.086 -6.832 1.00 0.00 O ATOM 522 CB LEU A 35 7.481 5.059 -6.108 1.00 0.00 C ATOM 523 CG LEU A 35 6.224 4.278 -5.720 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.368 4.036 -6.964 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.629 2.933 -5.111 1.00 0.00 C ATOM 0 H LEU A 35 5.609 6.810 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 35 7.888 6.129 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.466 5.287 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.369 4.454 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 35 5.651 4.851 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.473 3.480 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.080 4.993 -7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.940 3.463 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.735 2.375 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.202 2.361 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.239 3.104 -4.224 1.00 0.00 H new ATOM 537 N GLU A 36 9.770 7.297 -5.555 1.00 0.00 N ATOM 538 CA GLU A 36 10.770 8.218 -6.163 1.00 0.00 C ATOM 539 C GLU A 36 11.647 7.439 -7.147 1.00 0.00 C ATOM 540 O GLU A 36 11.841 6.247 -7.011 1.00 0.00 O ATOM 541 CB GLU A 36 11.648 8.818 -5.062 1.00 0.00 C ATOM 542 CG GLU A 36 11.953 10.280 -5.393 1.00 0.00 C ATOM 543 CD GLU A 36 13.442 10.554 -5.169 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.970 10.073 -4.179 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.027 11.242 -5.989 1.00 0.00 O ATOM 0 H GLU A 36 10.134 6.678 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 36 10.253 9.019 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.140 8.750 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.576 8.253 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.685 10.493 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.353 10.939 -4.766 1.00 0.00 H new ATOM 552 N SER A 37 12.178 8.103 -8.136 1.00 0.00 N ATOM 553 CA SER A 37 13.042 7.401 -9.127 1.00 0.00 C ATOM 554 C SER A 37 14.513 7.627 -8.772 1.00 0.00 C ATOM 555 O SER A 37 14.833 8.225 -7.764 1.00 0.00 O ATOM 556 CB SER A 37 12.765 7.953 -10.526 1.00 0.00 C ATOM 557 OG SER A 37 12.104 6.960 -11.300 1.00 0.00 O ATOM 0 H SER A 37 12.051 9.102 -8.301 1.00 0.00 H new ATOM 0 HA SER A 37 12.823 6.333 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.149 8.850 -10.460 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.699 8.243 -11.007 1.00 0.00 H new ATOM 0 HG SER A 37 11.923 7.311 -12.197 1.00 0.00 H new ATOM 563 N ALA A 38 15.411 7.152 -9.591 1.00 0.00 N ATOM 564 CA ALA A 38 16.859 7.340 -9.300 1.00 0.00 C ATOM 565 C ALA A 38 17.194 8.832 -9.322 1.00 0.00 C ATOM 566 O ALA A 38 17.961 9.319 -8.516 1.00 0.00 O ATOM 567 CB ALA A 38 17.691 6.614 -10.359 1.00 0.00 C ATOM 0 H ALA A 38 15.204 6.642 -10.449 1.00 0.00 H new ATOM 0 HA ALA A 38 17.088 6.931 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.751 6.752 -10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.453 5.551 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.463 7.022 -11.344 1.00 0.00 H new ATOM 573 N LYS A 39 16.625 9.563 -10.242 1.00 0.00 N ATOM 574 CA LYS A 39 16.912 11.024 -10.315 1.00 0.00 C ATOM 575 C LYS A 39 15.634 11.775 -10.694 1.00 0.00 C ATOM 576 O LYS A 39 15.632 12.611 -11.577 1.00 0.00 O ATOM 577 CB LYS A 39 17.987 11.279 -11.374 1.00 0.00 C ATOM 578 CG LYS A 39 19.330 11.534 -10.686 1.00 0.00 C ATOM 579 CD LYS A 39 20.231 12.352 -11.613 1.00 0.00 C ATOM 580 CE LYS A 39 21.691 11.954 -11.389 1.00 0.00 C ATOM 581 NZ LYS A 39 22.083 12.273 -9.987 1.00 0.00 N ATOM 0 H LYS A 39 15.975 9.212 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 39 17.266 11.375 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 39 18.065 10.421 -12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.712 12.137 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.175 12.068 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.809 10.587 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.952 12.181 -12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.099 13.416 -11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.823 10.889 -11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.336 12.486 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 23.114 12.180 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.800 13.248 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.610 11.615 -9.336 1.00 0.00 H new ATOM 595 N ALA A 40 14.547 11.486 -10.034 1.00 0.00 N ATOM 596 CA ALA A 40 13.270 12.184 -10.357 1.00 0.00 C ATOM 597 C ALA A 40 12.175 11.716 -9.397 1.00 0.00 C ATOM 598 O ALA A 40 12.448 11.212 -8.327 1.00 0.00 O ATOM 599 CB ALA A 40 12.862 11.859 -11.795 1.00 0.00 C ATOM 0 H ALA A 40 14.487 10.797 -9.285 1.00 0.00 H new ATOM 0 HA ALA A 40 13.407 13.260 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.928 12.369 -12.032 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.642 12.193 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.725 10.783 -11.900 1.00 0.00 H new ATOM 605 N SER A 41 10.936 11.877 -9.774 1.00 0.00 N ATOM 606 CA SER A 41 9.824 11.441 -8.882 1.00 0.00 C ATOM 607 C SER A 41 8.634 10.993 -9.735 1.00 0.00 C ATOM 608 O SER A 41 8.452 11.442 -10.849 1.00 0.00 O ATOM 609 CB SER A 41 9.400 12.606 -7.988 1.00 0.00 C ATOM 610 OG SER A 41 10.435 13.581 -7.965 1.00 0.00 O ATOM 0 H SER A 41 10.646 12.291 -10.660 1.00 0.00 H new ATOM 0 HA SER A 41 10.160 10.611 -8.261 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.476 13.048 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.198 12.250 -6.978 1.00 0.00 H new ATOM 0 HG SER A 41 10.166 14.330 -7.394 1.00 0.00 H new ATOM 616 N MET A 42 7.821 10.111 -9.219 1.00 0.00 N ATOM 617 CA MET A 42 6.645 9.637 -10.002 1.00 0.00 C ATOM 618 C MET A 42 5.603 9.047 -9.049 1.00 0.00 C ATOM 619 O MET A 42 5.933 8.398 -8.077 1.00 0.00 O ATOM 620 CB MET A 42 7.095 8.563 -10.994 1.00 0.00 C ATOM 621 CG MET A 42 7.165 9.163 -12.399 1.00 0.00 C ATOM 622 SD MET A 42 6.703 7.906 -13.617 1.00 0.00 S ATOM 623 CE MET A 42 4.960 7.765 -13.148 1.00 0.00 C ATOM 0 H MET A 42 7.920 9.699 -8.291 1.00 0.00 H new ATOM 0 HA MET A 42 6.207 10.474 -10.546 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.071 8.172 -10.705 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.398 7.725 -10.979 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.496 10.020 -12.474 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.172 9.527 -12.601 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.354 7.615 -14.041 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.832 6.916 -12.476 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.644 8.678 -12.644 1.00 0.00 H new ATOM 633 N GLU A 43 4.346 9.266 -9.323 1.00 0.00 N ATOM 634 CA GLU A 43 3.283 8.717 -8.434 1.00 0.00 C ATOM 635 C GLU A 43 2.207 8.039 -9.286 1.00 0.00 C ATOM 636 O GLU A 43 2.115 8.260 -10.477 1.00 0.00 O ATOM 637 CB GLU A 43 2.654 9.856 -7.628 1.00 0.00 C ATOM 638 CG GLU A 43 3.758 10.717 -7.013 1.00 0.00 C ATOM 639 CD GLU A 43 3.138 11.734 -6.052 1.00 0.00 C ATOM 640 OE1 GLU A 43 2.162 11.389 -5.407 1.00 0.00 O ATOM 641 OE2 GLU A 43 3.650 12.838 -5.978 1.00 0.00 O ATOM 0 H GLU A 43 4.009 9.801 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 43 3.719 7.988 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.020 10.465 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.015 9.451 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.471 10.087 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.311 11.233 -7.798 1.00 0.00 H new ATOM 648 N VAL A 44 1.392 7.217 -8.684 1.00 0.00 N ATOM 649 CA VAL A 44 0.324 6.528 -9.463 1.00 0.00 C ATOM 650 C VAL A 44 -1.016 6.682 -8.734 1.00 0.00 C ATOM 651 O VAL A 44 -1.072 6.597 -7.523 1.00 0.00 O ATOM 652 CB VAL A 44 0.666 5.043 -9.591 1.00 0.00 C ATOM 653 CG1 VAL A 44 -0.178 4.418 -10.703 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.149 4.889 -9.930 1.00 0.00 C ATOM 0 H VAL A 44 1.419 6.993 -7.689 1.00 0.00 H new ATOM 0 HA VAL A 44 0.252 6.972 -10.456 1.00 0.00 H new ATOM 0 HB VAL A 44 0.454 4.540 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.066 3.360 -10.794 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.235 4.527 -10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.033 4.921 -11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.393 3.831 -10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.361 5.393 -10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.751 5.333 -9.138 1.00 0.00 H new ATOM 664 N PRO A 45 -2.060 6.904 -9.495 1.00 0.00 N ATOM 665 CA PRO A 45 -3.418 7.075 -8.949 1.00 0.00 C ATOM 666 C PRO A 45 -4.032 5.715 -8.609 1.00 0.00 C ATOM 667 O PRO A 45 -3.360 4.703 -8.596 1.00 0.00 O ATOM 668 CB PRO A 45 -4.184 7.743 -10.094 1.00 0.00 C ATOM 669 CG PRO A 45 -3.414 7.399 -11.391 1.00 0.00 C ATOM 670 CD PRO A 45 -1.985 7.010 -10.968 1.00 0.00 C ATOM 0 HA PRO A 45 -3.439 7.659 -8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.209 7.376 -10.142 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.238 8.822 -9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.897 6.579 -11.922 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.398 8.252 -12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.678 6.067 -11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.259 7.762 -11.277 1.00 0.00 H new ATOM 678 N SER A 46 -5.306 5.688 -8.333 1.00 0.00 N ATOM 679 CA SER A 46 -5.970 4.397 -7.994 1.00 0.00 C ATOM 680 C SER A 46 -6.391 3.685 -9.287 1.00 0.00 C ATOM 681 O SER A 46 -7.252 4.165 -9.998 1.00 0.00 O ATOM 682 CB SER A 46 -7.211 4.675 -7.145 1.00 0.00 C ATOM 683 OG SER A 46 -7.915 3.459 -6.930 1.00 0.00 O ATOM 0 H SER A 46 -5.917 6.505 -8.327 1.00 0.00 H new ATOM 0 HA SER A 46 -5.277 3.766 -7.438 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.922 5.115 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.855 5.397 -7.647 1.00 0.00 H new ATOM 0 HG SER A 46 -8.549 3.314 -7.663 1.00 0.00 H new ATOM 689 N PRO A 47 -5.773 2.560 -9.557 1.00 0.00 N ATOM 690 CA PRO A 47 -6.071 1.766 -10.763 1.00 0.00 C ATOM 691 C PRO A 47 -7.365 0.969 -10.572 1.00 0.00 C ATOM 692 O PRO A 47 -7.791 0.240 -11.446 1.00 0.00 O ATOM 693 CB PRO A 47 -4.866 0.830 -10.884 1.00 0.00 C ATOM 694 CG PRO A 47 -4.242 0.737 -9.471 1.00 0.00 C ATOM 695 CD PRO A 47 -4.726 1.976 -8.694 1.00 0.00 C ATOM 0 HA PRO A 47 -6.220 2.377 -11.653 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.173 -0.154 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.144 1.217 -11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.552 -0.180 -8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.154 0.716 -9.529 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.123 1.703 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.913 2.681 -8.522 1.00 0.00 H new ATOM 703 N LYS A 48 -7.992 1.105 -9.437 1.00 0.00 N ATOM 704 CA LYS A 48 -9.257 0.358 -9.189 1.00 0.00 C ATOM 705 C LYS A 48 -10.035 1.033 -8.058 1.00 0.00 C ATOM 706 O LYS A 48 -9.689 0.916 -6.898 1.00 0.00 O ATOM 707 CB LYS A 48 -8.930 -1.083 -8.796 1.00 0.00 C ATOM 708 CG LYS A 48 -9.981 -2.025 -9.387 1.00 0.00 C ATOM 709 CD LYS A 48 -9.848 -2.050 -10.911 1.00 0.00 C ATOM 710 CE LYS A 48 -11.233 -2.198 -11.543 1.00 0.00 C ATOM 711 NZ LYS A 48 -11.448 -3.617 -11.941 1.00 0.00 N ATOM 0 H LYS A 48 -7.683 1.702 -8.670 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.862 0.358 -10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.939 -1.354 -9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.909 -1.179 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.852 -3.029 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.980 -1.694 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.374 -1.133 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.207 -2.877 -11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.002 -1.887 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.319 -1.548 -12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.390 -3.718 -12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.721 -3.898 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.384 -4.227 -11.101 1.00 0.00 H new ATOM 725 N ALA A 49 -11.081 1.741 -8.383 1.00 0.00 N ATOM 726 CA ALA A 49 -11.879 2.422 -7.324 1.00 0.00 C ATOM 727 C ALA A 49 -12.537 1.372 -6.427 1.00 0.00 C ATOM 728 O ALA A 49 -13.536 0.777 -6.781 1.00 0.00 O ATOM 729 CB ALA A 49 -12.959 3.286 -7.976 1.00 0.00 C ATOM 0 H ALA A 49 -11.418 1.878 -9.336 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.223 3.053 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.543 3.784 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.490 4.034 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.615 2.656 -8.577 1.00 0.00 H new ATOM 735 N GLY A 50 -11.988 1.141 -5.266 1.00 0.00 N ATOM 736 CA GLY A 50 -12.585 0.131 -4.346 1.00 0.00 C ATOM 737 C GLY A 50 -12.112 0.398 -2.917 1.00 0.00 C ATOM 738 O GLY A 50 -11.844 1.523 -2.542 1.00 0.00 O ATOM 0 H GLY A 50 -11.152 1.608 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.673 0.178 -4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.295 -0.873 -4.654 1.00 0.00 H new ATOM 742 N VAL A 51 -12.010 -0.626 -2.114 1.00 0.00 N ATOM 743 CA VAL A 51 -11.555 -0.427 -0.709 1.00 0.00 C ATOM 744 C VAL A 51 -10.231 -1.161 -0.493 1.00 0.00 C ATOM 745 O VAL A 51 -10.081 -2.311 -0.856 1.00 0.00 O ATOM 746 CB VAL A 51 -12.608 -0.984 0.252 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.622 -2.511 0.164 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.268 -0.559 1.681 1.00 0.00 C ATOM 0 H VAL A 51 -12.222 -1.590 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.416 0.637 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.590 -0.596 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.372 -2.908 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.863 -2.815 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.641 -2.900 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.017 -0.955 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.286 -0.948 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.258 0.529 1.744 1.00 0.00 H new ATOM 758 N VAL A 52 -9.268 -0.506 0.095 1.00 0.00 N ATOM 759 CA VAL A 52 -7.954 -1.167 0.335 1.00 0.00 C ATOM 760 C VAL A 52 -8.168 -2.448 1.142 1.00 0.00 C ATOM 761 O VAL A 52 -8.780 -2.439 2.190 1.00 0.00 O ATOM 762 CB VAL A 52 -7.041 -0.219 1.114 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.779 -0.968 1.549 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.650 0.960 0.221 1.00 0.00 C ATOM 0 H VAL A 52 -9.334 0.459 0.420 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.491 -1.413 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.567 0.150 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.128 -0.293 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.056 -1.809 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.253 -1.337 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.999 1.636 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.124 0.591 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.548 1.494 -0.090 1.00 0.00 H new ATOM 774 N LYS A 53 -7.666 -3.554 0.662 1.00 0.00 N ATOM 775 CA LYS A 53 -7.841 -4.835 1.402 1.00 0.00 C ATOM 776 C LYS A 53 -6.635 -5.063 2.317 1.00 0.00 C ATOM 777 O LYS A 53 -6.779 -5.340 3.491 1.00 0.00 O ATOM 778 CB LYS A 53 -7.948 -5.990 0.403 1.00 0.00 C ATOM 779 CG LYS A 53 -8.204 -7.296 1.159 1.00 0.00 C ATOM 780 CD LYS A 53 -9.707 -7.478 1.370 1.00 0.00 C ATOM 781 CE LYS A 53 -10.012 -7.520 2.868 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.485 -7.598 3.075 1.00 0.00 N ATOM 0 H LYS A 53 -7.142 -3.625 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.750 -4.788 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.757 -5.801 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.030 -6.068 -0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.800 -8.139 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.691 -7.278 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.252 -6.660 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.043 -8.399 0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.524 -8.381 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.612 -6.631 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.691 -7.627 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.940 -6.763 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.854 -8.459 2.623 1.00 0.00 H new ATOM 796 N SER A 54 -5.448 -4.949 1.787 1.00 0.00 N ATOM 797 CA SER A 54 -4.235 -5.159 2.627 1.00 0.00 C ATOM 798 C SER A 54 -2.993 -4.720 1.848 1.00 0.00 C ATOM 799 O SER A 54 -2.974 -4.738 0.633 1.00 0.00 O ATOM 800 CB SER A 54 -4.115 -6.640 2.987 1.00 0.00 C ATOM 801 OG SER A 54 -4.058 -6.776 4.401 1.00 0.00 O ATOM 0 H SER A 54 -5.266 -4.720 0.810 1.00 0.00 H new ATOM 0 HA SER A 54 -4.318 -4.569 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.967 -7.193 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.220 -7.065 2.533 1.00 0.00 H new ATOM 0 HG SER A 54 -3.983 -7.725 4.636 1.00 0.00 H new ATOM 807 N VAL A 55 -1.958 -4.325 2.536 1.00 0.00 N ATOM 808 CA VAL A 55 -0.720 -3.885 1.832 1.00 0.00 C ATOM 809 C VAL A 55 0.399 -4.897 2.088 1.00 0.00 C ATOM 810 O VAL A 55 0.594 -5.354 3.197 1.00 0.00 O ATOM 811 CB VAL A 55 -0.296 -2.512 2.356 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.875 -1.986 1.523 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.474 -1.541 2.248 1.00 0.00 C ATOM 0 H VAL A 55 -1.915 -4.288 3.554 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.914 -3.821 0.761 1.00 0.00 H new ATOM 0 HB VAL A 55 0.011 -2.600 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.177 -1.008 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.714 -2.678 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.569 -1.898 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.174 -0.562 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.779 -1.454 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.309 -1.915 2.841 1.00 0.00 H new ATOM 823 N SER A 56 1.138 -5.248 1.071 1.00 0.00 N ATOM 824 CA SER A 56 2.245 -6.228 1.257 1.00 0.00 C ATOM 825 C SER A 56 3.557 -5.477 1.490 1.00 0.00 C ATOM 826 O SER A 56 4.631 -6.029 1.357 1.00 0.00 O ATOM 827 CB SER A 56 2.370 -7.098 0.006 1.00 0.00 C ATOM 828 OG SER A 56 1.478 -6.619 -0.991 1.00 0.00 O ATOM 0 H SER A 56 1.023 -4.898 0.120 1.00 0.00 H new ATOM 0 HA SER A 56 2.031 -6.860 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.395 -7.076 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.141 -8.136 0.247 1.00 0.00 H new ATOM 0 HG SER A 56 1.557 -7.174 -1.795 1.00 0.00 H new ATOM 834 N VAL A 57 3.479 -4.221 1.836 1.00 0.00 N ATOM 835 CA VAL A 57 4.722 -3.436 2.077 1.00 0.00 C ATOM 836 C VAL A 57 4.477 -2.430 3.204 1.00 0.00 C ATOM 837 O VAL A 57 3.383 -2.315 3.721 1.00 0.00 O ATOM 838 CB VAL A 57 5.108 -2.689 0.801 1.00 0.00 C ATOM 839 CG1 VAL A 57 5.862 -3.633 -0.136 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.842 -2.184 0.103 1.00 0.00 C ATOM 0 H VAL A 57 2.608 -3.705 1.962 1.00 0.00 H new ATOM 0 HA VAL A 57 5.530 -4.110 2.361 1.00 0.00 H new ATOM 0 HB VAL A 57 5.747 -1.843 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.137 -3.100 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.763 -3.994 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.224 -4.479 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.116 -1.651 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.204 -3.031 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.303 -1.510 0.769 1.00 0.00 H new ATOM 850 N LYS A 58 5.487 -1.698 3.589 1.00 0.00 N ATOM 851 CA LYS A 58 5.311 -0.700 4.681 1.00 0.00 C ATOM 852 C LYS A 58 5.449 0.712 4.110 1.00 0.00 C ATOM 853 O LYS A 58 5.652 0.896 2.926 1.00 0.00 O ATOM 854 CB LYS A 58 6.378 -0.925 5.754 1.00 0.00 C ATOM 855 CG LYS A 58 5.702 -1.259 7.085 1.00 0.00 C ATOM 856 CD LYS A 58 6.137 -2.653 7.543 1.00 0.00 C ATOM 857 CE LYS A 58 5.366 -3.713 6.755 1.00 0.00 C ATOM 858 NZ LYS A 58 6.242 -4.275 5.689 1.00 0.00 N ATOM 0 H LYS A 58 6.426 -1.748 3.194 1.00 0.00 H new ATOM 0 HA LYS A 58 4.322 -0.816 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.041 -1.737 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.995 -0.033 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.970 -0.517 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.618 -1.223 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.209 -2.779 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.951 -2.771 8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.033 -4.507 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.472 -3.274 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.869 -5.196 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.264 -3.624 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.206 -4.398 6.060 1.00 0.00 H new ATOM 872 N LEU A 59 5.343 1.712 4.942 1.00 0.00 N ATOM 873 CA LEU A 59 5.470 3.111 4.445 1.00 0.00 C ATOM 874 C LEU A 59 6.949 3.479 4.329 1.00 0.00 C ATOM 875 O LEU A 59 7.744 3.180 5.199 1.00 0.00 O ATOM 876 CB LEU A 59 4.782 4.063 5.426 1.00 0.00 C ATOM 877 CG LEU A 59 5.382 3.882 6.821 1.00 0.00 C ATOM 878 CD1 LEU A 59 5.990 5.203 7.293 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.283 3.451 7.794 1.00 0.00 C ATOM 0 H LEU A 59 5.174 1.621 5.944 1.00 0.00 H new ATOM 0 HA LEU A 59 4.998 3.194 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.907 5.094 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.711 3.864 5.451 1.00 0.00 H new ATOM 0 HG LEU A 59 6.159 3.118 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.417 5.072 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.772 5.512 6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.215 5.968 7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.708 3.321 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.507 4.215 7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.850 2.509 7.459 1.00 0.00 H new ATOM 891 N GLY A 60 7.327 4.128 3.261 1.00 0.00 N ATOM 892 CA GLY A 60 8.756 4.515 3.091 1.00 0.00 C ATOM 893 C GLY A 60 9.594 3.268 2.803 1.00 0.00 C ATOM 894 O GLY A 60 10.800 3.271 2.948 1.00 0.00 O ATOM 0 H GLY A 60 6.708 4.407 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.855 5.229 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.119 5.010 3.992 1.00 0.00 H new ATOM 898 N ASP A 61 8.964 2.200 2.397 1.00 0.00 N ATOM 899 CA ASP A 61 9.725 0.953 2.100 1.00 0.00 C ATOM 900 C ASP A 61 10.281 1.023 0.677 1.00 0.00 C ATOM 901 O ASP A 61 9.654 1.552 -0.220 1.00 0.00 O ATOM 902 CB ASP A 61 8.793 -0.254 2.227 1.00 0.00 C ATOM 903 CG ASP A 61 8.686 -0.665 3.695 1.00 0.00 C ATOM 904 OD1 ASP A 61 8.771 0.209 4.543 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.519 -1.847 3.949 1.00 0.00 O ATOM 0 H ASP A 61 7.955 2.137 2.258 1.00 0.00 H new ATOM 0 HA ASP A 61 10.549 0.851 2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.806 -0.008 1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.174 -1.085 1.633 1.00 0.00 H new ATOM 910 N LYS A 62 11.453 0.493 0.462 1.00 0.00 N ATOM 911 CA LYS A 62 12.049 0.528 -0.903 1.00 0.00 C ATOM 912 C LYS A 62 11.919 -0.851 -1.553 1.00 0.00 C ATOM 913 O LYS A 62 12.412 -1.837 -1.042 1.00 0.00 O ATOM 914 CB LYS A 62 13.528 0.909 -0.806 1.00 0.00 C ATOM 915 CG LYS A 62 13.682 2.129 0.105 1.00 0.00 C ATOM 916 CD LYS A 62 14.943 1.973 0.957 1.00 0.00 C ATOM 917 CE LYS A 62 15.723 3.290 0.961 1.00 0.00 C ATOM 918 NZ LYS A 62 16.986 3.122 0.189 1.00 0.00 N ATOM 0 H LYS A 62 12.024 0.037 1.173 1.00 0.00 H new ATOM 0 HA LYS A 62 11.523 1.266 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.105 0.072 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.923 1.130 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.745 3.038 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.807 2.230 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.674 1.694 1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.565 1.171 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.119 4.084 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.947 3.589 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.635 3.904 0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.433 2.219 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.774 3.126 -0.829 1.00 0.00 H new ATOM 932 N LEU A 63 11.258 -0.929 -2.676 1.00 0.00 N ATOM 933 CA LEU A 63 11.097 -2.245 -3.355 1.00 0.00 C ATOM 934 C LEU A 63 11.684 -2.165 -4.766 1.00 0.00 C ATOM 935 O LEU A 63 12.113 -1.120 -5.213 1.00 0.00 O ATOM 936 CB LEU A 63 9.611 -2.598 -3.439 1.00 0.00 C ATOM 937 CG LEU A 63 9.313 -3.776 -2.513 1.00 0.00 C ATOM 938 CD1 LEU A 63 9.860 -3.480 -1.116 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.800 -3.989 -2.431 1.00 0.00 C ATOM 0 H LEU A 63 10.823 -0.139 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 63 11.620 -3.014 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.005 -1.737 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.344 -2.852 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 63 9.788 -4.675 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.647 -4.321 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.938 -3.327 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.386 -2.581 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.586 -4.829 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.327 -3.089 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.408 -4.200 -3.426 1.00 0.00 H new ATOM 951 N LYS A 64 11.706 -3.262 -5.472 1.00 0.00 N ATOM 952 CA LYS A 64 12.264 -3.248 -6.854 1.00 0.00 C ATOM 953 C LYS A 64 11.169 -3.637 -7.850 1.00 0.00 C ATOM 954 O LYS A 64 10.310 -4.445 -7.558 1.00 0.00 O ATOM 955 CB LYS A 64 13.418 -4.249 -6.948 1.00 0.00 C ATOM 956 CG LYS A 64 14.690 -3.524 -7.390 1.00 0.00 C ATOM 957 CD LYS A 64 15.855 -4.514 -7.431 1.00 0.00 C ATOM 958 CE LYS A 64 16.888 -4.047 -8.459 1.00 0.00 C ATOM 959 NZ LYS A 64 17.993 -3.330 -7.762 1.00 0.00 N ATOM 0 H LYS A 64 11.362 -4.167 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 64 12.630 -2.248 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.577 -4.728 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.171 -5.038 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.544 -3.078 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.915 -2.710 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.316 -4.590 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.492 -5.508 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.284 -4.902 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.418 -3.390 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.812 -3.251 -8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.673 -2.378 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.267 -3.859 -6.910 1.00 0.00 H new ATOM 973 N GLU A 65 11.194 -3.067 -9.024 1.00 0.00 N ATOM 974 CA GLU A 65 10.156 -3.399 -10.039 1.00 0.00 C ATOM 975 C GLU A 65 9.912 -4.910 -10.048 1.00 0.00 C ATOM 976 O GLU A 65 10.835 -5.697 -9.987 1.00 0.00 O ATOM 977 CB GLU A 65 10.635 -2.952 -11.422 1.00 0.00 C ATOM 978 CG GLU A 65 11.769 -3.864 -11.890 1.00 0.00 C ATOM 979 CD GLU A 65 12.761 -3.057 -12.730 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.440 -2.761 -13.869 1.00 0.00 O ATOM 981 OE2 GLU A 65 13.826 -2.748 -12.219 1.00 0.00 O ATOM 0 H GLU A 65 11.890 -2.384 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 65 9.228 -2.884 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.810 -2.987 -12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.978 -1.918 -11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.276 -4.301 -11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.367 -4.690 -12.477 1.00 0.00 H new ATOM 988 N GLY A 66 8.676 -5.319 -10.125 1.00 0.00 N ATOM 989 CA GLY A 66 8.374 -6.779 -10.138 1.00 0.00 C ATOM 990 C GLY A 66 7.713 -7.177 -8.817 1.00 0.00 C ATOM 991 O GLY A 66 6.975 -8.139 -8.746 1.00 0.00 O ATOM 0 H GLY A 66 7.862 -4.706 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.715 -7.017 -10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.291 -7.349 -10.284 1.00 0.00 H new ATOM 995 N ASP A 67 7.973 -6.443 -7.769 1.00 0.00 N ATOM 996 CA ASP A 67 7.360 -6.780 -6.454 1.00 0.00 C ATOM 997 C ASP A 67 5.966 -6.156 -6.367 1.00 0.00 C ATOM 998 O ASP A 67 5.744 -5.045 -6.805 1.00 0.00 O ATOM 999 CB ASP A 67 8.236 -6.231 -5.326 1.00 0.00 C ATOM 1000 CG ASP A 67 9.551 -7.011 -5.274 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.545 -8.107 -4.737 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.540 -6.500 -5.772 1.00 0.00 O ATOM 0 H ASP A 67 8.583 -5.625 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 67 7.281 -7.863 -6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.436 -5.172 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.714 -6.314 -4.373 1.00 0.00 H new ATOM 1007 N ALA A 68 5.023 -6.862 -5.801 1.00 0.00 N ATOM 1008 CA ALA A 68 3.645 -6.307 -5.687 1.00 0.00 C ATOM 1009 C ALA A 68 3.663 -5.085 -4.765 1.00 0.00 C ATOM 1010 O ALA A 68 4.706 -4.635 -4.335 1.00 0.00 O ATOM 1011 CB ALA A 68 2.715 -7.372 -5.104 1.00 0.00 C ATOM 0 H ALA A 68 5.148 -7.797 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 68 3.288 -6.013 -6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.706 -6.968 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.703 -8.243 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.072 -7.666 -4.117 1.00 0.00 H new ATOM 1017 N ILE A 69 2.515 -4.544 -4.460 1.00 0.00 N ATOM 1018 CA ILE A 69 2.467 -3.352 -3.568 1.00 0.00 C ATOM 1019 C ILE A 69 1.237 -3.441 -2.663 1.00 0.00 C ATOM 1020 O ILE A 69 1.347 -3.563 -1.460 1.00 0.00 O ATOM 1021 CB ILE A 69 2.386 -2.082 -4.417 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.616 -1.996 -5.323 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.341 -0.858 -3.502 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.858 -1.724 -4.473 1.00 0.00 C ATOM 0 H ILE A 69 1.609 -4.876 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 69 3.367 -3.321 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 69 1.484 -2.111 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.738 -2.927 -5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.484 -1.202 -6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.283 0.047 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.465 -0.919 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.242 -0.828 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.734 -1.663 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.734 -0.782 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.992 -2.533 -3.755 1.00 0.00 H new ATOM 1036 N ILE A 70 0.065 -3.380 -3.233 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.172 -3.462 -2.405 1.00 0.00 C ATOM 1038 C ILE A 70 -2.231 -4.277 -3.150 1.00 0.00 C ATOM 1039 O ILE A 70 -1.980 -4.820 -4.207 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.704 -2.052 -2.144 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.588 -1.219 -3.423 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.884 -1.393 -1.033 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -2.727 -0.200 -3.474 1.00 0.00 C ATOM 0 H ILE A 70 -0.090 -3.277 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.943 -3.946 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.749 -2.110 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.626 -0.707 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.628 -1.869 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.264 -0.388 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.964 -1.985 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.161 -1.335 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.644 0.393 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.683 -0.723 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.666 0.457 -2.606 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.414 -4.365 -2.607 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.488 -5.145 -3.285 1.00 0.00 C ATOM 1057 C GLU A 71 -5.851 -4.533 -2.953 1.00 0.00 C ATOM 1058 O GLU A 71 -6.288 -4.544 -1.819 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.450 -6.596 -2.799 1.00 0.00 C ATOM 1060 CG GLU A 71 -5.369 -7.451 -3.673 1.00 0.00 C ATOM 1061 CD GLU A 71 -6.320 -8.253 -2.782 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -6.689 -7.745 -1.736 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -6.661 -9.362 -3.160 1.00 0.00 O ATOM 0 H GLU A 71 -3.683 -3.931 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.330 -5.118 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.430 -6.979 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.767 -6.650 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.938 -6.815 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.776 -8.126 -4.291 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.525 -3.997 -3.934 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.858 -3.383 -3.674 1.00 0.00 C ATOM 1072 C LEU A 72 -8.954 -4.422 -3.922 1.00 0.00 C ATOM 1073 O LEU A 72 -8.822 -5.289 -4.764 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.064 -2.193 -4.612 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.434 -1.567 -4.350 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.265 -0.080 -4.033 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.311 -1.724 -5.594 1.00 0.00 C ATOM 0 H LEU A 72 -6.210 -3.958 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.905 -3.043 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.279 -1.453 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.994 -2.518 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.906 -2.068 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.242 0.366 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.639 0.035 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.793 0.421 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.288 -1.278 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.838 -1.223 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.433 -2.783 -5.822 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.035 -4.343 -3.196 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.138 -5.326 -3.391 1.00 0.00 C ATOM 1091 C GLU A 73 -12.475 -4.584 -3.474 1.00 0.00 C ATOM 1092 O GLU A 73 -13.114 -4.348 -2.468 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.166 -6.300 -2.212 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.158 -7.428 -2.504 1.00 0.00 C ATOM 1095 CD GLU A 73 -11.530 -8.771 -2.127 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -10.545 -8.760 -1.407 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -12.044 -9.787 -2.563 1.00 0.00 O ATOM 0 H GLU A 73 -10.202 -3.640 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.973 -5.879 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.171 -6.711 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.453 -5.776 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.077 -7.273 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.428 -7.425 -3.560 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.857 -4.239 -4.677 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.118 -3.520 -4.935 1.00 0.00 C ATOM 1106 C PRO A 74 -15.305 -4.484 -4.874 1.00 0.00 C ATOM 1107 O PRO A 74 -15.142 -5.676 -4.703 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.932 -2.969 -6.351 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.858 -3.855 -7.028 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.069 -4.533 -5.891 1.00 0.00 C ATOM 0 HA PRO A 74 -14.325 -2.739 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.869 -3.002 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.614 -1.927 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.321 -4.599 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.198 -3.254 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.977 -5.607 -6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.057 -4.134 -5.815 1.00 0.00 H new