USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=11 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+ -151:sc= 0.0244 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= -0.62 (180deg=-2.33!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.01! K(o=-2!,f=-0.99) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 124:sc= 0.233 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= -0.0123 USER MOD Single : A 56 SER OG : rot -46:sc= 0.362 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.189) USER MOD Single : A 62 LYS NZ :NH3+ 159:sc= -0.035 (180deg=-0.433) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.719 -9.692 -6.297 1.00 0.00 N ATOM 2 CA SER A 1 -9.065 -8.366 -6.479 1.00 0.00 C ATOM 3 C SER A 1 -7.764 -8.541 -7.266 1.00 0.00 C ATOM 4 O SER A 1 -6.998 -9.451 -7.020 1.00 0.00 O ATOM 5 CB SER A 1 -8.754 -7.759 -5.111 1.00 0.00 C ATOM 6 OG SER A 1 -7.938 -8.658 -4.372 1.00 0.00 O ATOM 0 H1 SER A 1 -10.749 -9.565 -6.231 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.497 -10.303 -7.109 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.368 -10.135 -5.424 1.00 0.00 H new ATOM 0 HA SER A 1 -9.735 -7.704 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.244 -6.803 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.679 -7.561 -4.570 1.00 0.00 H new ATOM 0 HG SER A 1 -7.736 -8.270 -3.495 1.00 0.00 H new ATOM 14 N GLU A 2 -7.511 -7.678 -8.212 1.00 0.00 N ATOM 15 CA GLU A 2 -6.260 -7.798 -9.013 1.00 0.00 C ATOM 16 C GLU A 2 -5.078 -7.270 -8.197 1.00 0.00 C ATOM 17 O GLU A 2 -5.247 -6.718 -7.127 1.00 0.00 O ATOM 18 CB GLU A 2 -6.397 -6.978 -10.298 1.00 0.00 C ATOM 19 CG GLU A 2 -6.860 -7.888 -11.437 1.00 0.00 C ATOM 20 CD GLU A 2 -8.379 -8.061 -11.368 1.00 0.00 C ATOM 21 OE1 GLU A 2 -8.881 -8.280 -10.278 1.00 0.00 O ATOM 22 OE2 GLU A 2 -9.014 -7.969 -12.406 1.00 0.00 O ATOM 0 H GLU A 2 -8.116 -6.896 -8.464 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.090 -8.845 -9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.112 -6.169 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.442 -6.517 -10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.576 -7.459 -12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.369 -8.858 -11.364 1.00 0.00 H new ATOM 29 N ILE A 3 -3.882 -7.437 -8.691 1.00 0.00 N ATOM 30 CA ILE A 3 -2.691 -6.946 -7.943 1.00 0.00 C ATOM 31 C ILE A 3 -2.225 -5.616 -8.541 1.00 0.00 C ATOM 32 O ILE A 3 -2.476 -5.322 -9.694 1.00 0.00 O ATOM 33 CB ILE A 3 -1.564 -7.974 -8.046 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.128 -9.375 -7.795 1.00 0.00 C ATOM 35 CG2 ILE A 3 -0.491 -7.664 -7.001 1.00 0.00 C ATOM 36 CD1 ILE A 3 -1.152 -10.422 -8.333 1.00 0.00 C ATOM 0 H ILE A 3 -3.678 -7.892 -9.581 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.955 -6.801 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.124 -7.930 -9.042 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.290 -9.528 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.097 -9.481 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.312 -8.397 -7.075 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.089 -6.666 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.930 -7.707 -6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.553 -11.419 -8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.013 -10.273 -9.404 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.193 -10.321 -7.825 1.00 0.00 H new ATOM 48 N ILE A 4 -1.550 -4.811 -7.769 1.00 0.00 N ATOM 49 CA ILE A 4 -1.070 -3.503 -8.295 1.00 0.00 C ATOM 50 C ILE A 4 0.460 -3.464 -8.246 1.00 0.00 C ATOM 51 O ILE A 4 1.049 -3.078 -7.257 1.00 0.00 O ATOM 52 CB ILE A 4 -1.636 -2.369 -7.437 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.162 -2.472 -7.401 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.232 -1.022 -8.039 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.726 -2.222 -8.801 1.00 0.00 C ATOM 0 H ILE A 4 -1.310 -5.002 -6.796 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.404 -3.381 -9.325 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.240 -2.448 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.462 -3.459 -7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.569 -1.745 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.635 -0.215 -7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.145 -0.947 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.628 -0.943 -9.052 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.813 -2.296 -8.774 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.438 -1.226 -9.137 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.329 -2.966 -9.491 1.00 0.00 H new ATOM 67 N ARG A 5 1.107 -3.862 -9.308 1.00 0.00 N ATOM 68 CA ARG A 5 2.597 -3.848 -9.320 1.00 0.00 C ATOM 69 C ARG A 5 3.090 -2.550 -9.962 1.00 0.00 C ATOM 70 O ARG A 5 2.313 -1.748 -10.441 1.00 0.00 O ATOM 71 CB ARG A 5 3.111 -5.044 -10.126 1.00 0.00 C ATOM 72 CG ARG A 5 2.290 -5.187 -11.409 1.00 0.00 C ATOM 73 CD ARG A 5 1.164 -6.197 -11.184 1.00 0.00 C ATOM 74 NE ARG A 5 1.381 -7.386 -12.056 1.00 0.00 N ATOM 75 CZ ARG A 5 0.482 -7.720 -12.940 1.00 0.00 C ATOM 76 NH1 ARG A 5 -0.702 -8.107 -12.553 1.00 0.00 N ATOM 77 NH2 ARG A 5 0.768 -7.667 -14.213 1.00 0.00 N ATOM 0 H ARG A 5 0.668 -4.196 -10.166 1.00 0.00 H new ATOM 0 HA ARG A 5 2.970 -3.911 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.164 -4.906 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.038 -5.955 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.875 -4.221 -11.697 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.930 -5.516 -12.228 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.137 -6.500 -10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.200 -5.739 -11.408 1.00 0.00 H new ATOM 0 HE ARG A 5 2.233 -7.939 -11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.925 -8.149 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.405 -8.368 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.694 -7.365 -14.516 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.065 -7.928 -14.905 1.00 0.00 H new ATOM 91 N VAL A 6 4.377 -2.337 -9.977 1.00 0.00 N ATOM 92 CA VAL A 6 4.920 -1.091 -10.588 1.00 0.00 C ATOM 93 C VAL A 6 5.066 -1.289 -12.102 1.00 0.00 C ATOM 94 O VAL A 6 5.430 -2.358 -12.550 1.00 0.00 O ATOM 95 CB VAL A 6 6.289 -0.781 -9.978 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.931 0.390 -10.723 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.115 -0.411 -8.503 1.00 0.00 C ATOM 0 H VAL A 6 5.076 -2.972 -9.592 1.00 0.00 H new ATOM 0 HA VAL A 6 4.240 -0.262 -10.394 1.00 0.00 H new ATOM 0 HB VAL A 6 6.930 -1.658 -10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.906 0.609 -10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.054 0.129 -11.774 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.291 1.269 -10.640 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.089 -0.190 -8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.473 0.466 -8.421 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.659 -1.245 -7.970 1.00 0.00 H new ATOM 107 N PRO A 7 4.779 -0.249 -12.845 1.00 0.00 N ATOM 108 CA PRO A 7 4.869 -0.277 -14.315 1.00 0.00 C ATOM 109 C PRO A 7 6.328 -0.149 -14.764 1.00 0.00 C ATOM 110 O PRO A 7 7.243 -0.234 -13.970 1.00 0.00 O ATOM 111 CB PRO A 7 4.055 0.945 -14.748 1.00 0.00 C ATOM 112 CG PRO A 7 4.027 1.904 -13.534 1.00 0.00 C ATOM 113 CD PRO A 7 4.338 1.048 -12.292 1.00 0.00 C ATOM 0 HA PRO A 7 4.498 -1.205 -14.750 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.509 1.427 -15.614 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.045 0.656 -15.038 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.763 2.699 -13.651 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.052 2.383 -13.441 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.115 1.504 -11.679 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.459 0.932 -11.658 1.00 0.00 H new ATOM 121 N ASP A 8 6.549 0.054 -16.034 1.00 0.00 N ATOM 122 CA ASP A 8 7.946 0.188 -16.536 1.00 0.00 C ATOM 123 C ASP A 8 8.464 1.593 -16.228 1.00 0.00 C ATOM 124 O ASP A 8 8.086 2.557 -16.864 1.00 0.00 O ATOM 125 CB ASP A 8 7.969 -0.045 -18.048 1.00 0.00 C ATOM 126 CG ASP A 8 9.403 0.087 -18.564 1.00 0.00 C ATOM 127 OD1 ASP A 8 10.268 0.423 -17.771 1.00 0.00 O ATOM 128 OD2 ASP A 8 9.612 -0.150 -19.742 1.00 0.00 O ATOM 0 H ASP A 8 5.823 0.133 -16.746 1.00 0.00 H new ATOM 0 HA ASP A 8 8.582 -0.549 -16.046 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.578 -1.036 -18.280 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.324 0.677 -18.548 1.00 0.00 H new ATOM 133 N ILE A 9 9.325 1.718 -15.255 1.00 0.00 N ATOM 134 CA ILE A 9 9.864 3.062 -14.905 1.00 0.00 C ATOM 135 C ILE A 9 11.305 3.176 -15.408 1.00 0.00 C ATOM 136 O ILE A 9 11.886 4.242 -15.418 1.00 0.00 O ATOM 137 CB ILE A 9 9.841 3.266 -13.382 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.390 1.982 -12.675 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.868 4.396 -13.038 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.440 2.190 -11.160 1.00 0.00 C ATOM 0 H ILE A 9 9.678 0.947 -14.688 1.00 0.00 H new ATOM 0 HA ILE A 9 9.244 3.825 -15.375 1.00 0.00 H new ATOM 0 HB ILE A 9 10.846 3.521 -13.047 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.378 1.720 -12.984 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.035 1.151 -12.960 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.849 4.544 -11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.192 5.316 -13.524 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.869 4.134 -13.386 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.120 1.278 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.460 2.431 -10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.777 3.009 -10.883 1.00 0.00 H new ATOM 152 N GLY A 10 11.886 2.085 -15.826 1.00 0.00 N ATOM 153 CA GLY A 10 13.288 2.132 -16.327 1.00 0.00 C ATOM 154 C GLY A 10 14.258 1.966 -15.155 1.00 0.00 C ATOM 155 O GLY A 10 15.429 1.701 -15.339 1.00 0.00 O ATOM 0 H GLY A 10 11.450 1.163 -15.842 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.449 1.342 -17.060 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.472 3.079 -16.833 1.00 0.00 H new ATOM 159 N GLY A 11 13.778 2.117 -13.951 1.00 0.00 N ATOM 160 CA GLY A 11 14.673 1.967 -12.768 1.00 0.00 C ATOM 161 C GLY A 11 13.894 1.333 -11.615 1.00 0.00 C ATOM 162 O GLY A 11 12.743 0.970 -11.756 1.00 0.00 O ATOM 0 H GLY A 11 12.806 2.338 -13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.532 1.347 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.061 2.940 -12.467 1.00 0.00 H new ATOM 166 N ASP A 12 14.511 1.198 -10.474 1.00 0.00 N ATOM 167 CA ASP A 12 13.805 0.588 -9.312 1.00 0.00 C ATOM 168 C ASP A 12 12.742 1.559 -8.794 1.00 0.00 C ATOM 169 O ASP A 12 12.942 2.757 -8.770 1.00 0.00 O ATOM 170 CB ASP A 12 14.813 0.291 -8.200 1.00 0.00 C ATOM 171 CG ASP A 12 16.073 -0.327 -8.804 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.990 -0.832 -9.912 1.00 0.00 O ATOM 173 OD2 ASP A 12 17.103 -0.286 -8.149 1.00 0.00 O ATOM 0 H ASP A 12 15.474 1.484 -10.296 1.00 0.00 H new ATOM 0 HA ASP A 12 13.327 -0.340 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.065 1.209 -7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.375 -0.390 -7.470 1.00 0.00 H new ATOM 178 N GLY A 13 11.615 1.052 -8.376 1.00 0.00 N ATOM 179 CA GLY A 13 10.542 1.948 -7.859 1.00 0.00 C ATOM 180 C GLY A 13 10.762 2.203 -6.367 1.00 0.00 C ATOM 181 O GLY A 13 10.554 1.335 -5.542 1.00 0.00 O ATOM 0 H GLY A 13 11.391 0.057 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.548 2.892 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.565 1.493 -8.020 1.00 0.00 H new ATOM 185 N GLU A 14 11.183 3.386 -6.014 1.00 0.00 N ATOM 186 CA GLU A 14 11.417 3.695 -4.575 1.00 0.00 C ATOM 187 C GLU A 14 10.219 4.466 -4.018 1.00 0.00 C ATOM 188 O GLU A 14 9.958 5.589 -4.402 1.00 0.00 O ATOM 189 CB GLU A 14 12.681 4.547 -4.434 1.00 0.00 C ATOM 190 CG GLU A 14 13.052 4.668 -2.956 1.00 0.00 C ATOM 191 CD GLU A 14 14.422 5.337 -2.827 1.00 0.00 C ATOM 192 OE1 GLU A 14 15.074 5.509 -3.843 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.796 5.668 -1.714 1.00 0.00 O ATOM 0 H GLU A 14 11.375 4.152 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 14 11.542 2.765 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.502 4.094 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.515 5.536 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.299 5.253 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.072 3.681 -2.493 1.00 0.00 H new ATOM 200 N VAL A 15 9.487 3.873 -3.114 1.00 0.00 N ATOM 201 CA VAL A 15 8.307 4.573 -2.533 1.00 0.00 C ATOM 202 C VAL A 15 8.783 5.738 -1.664 1.00 0.00 C ATOM 203 O VAL A 15 9.661 5.591 -0.838 1.00 0.00 O ATOM 204 CB VAL A 15 7.504 3.592 -1.677 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.136 4.196 -1.357 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.315 2.282 -2.445 1.00 0.00 C ATOM 0 H VAL A 15 9.656 2.934 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 15 7.677 4.954 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 15 8.041 3.396 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.563 3.497 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.269 5.130 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.599 4.392 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.743 1.582 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.778 2.478 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.289 1.851 -2.674 1.00 0.00 H new ATOM 216 N ILE A 16 8.209 6.897 -1.844 1.00 0.00 N ATOM 217 CA ILE A 16 8.629 8.071 -1.028 1.00 0.00 C ATOM 218 C ILE A 16 7.451 8.545 -0.174 1.00 0.00 C ATOM 219 O ILE A 16 7.629 9.198 0.836 1.00 0.00 O ATOM 220 CB ILE A 16 9.075 9.202 -1.956 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.984 8.636 -3.048 1.00 0.00 C ATOM 222 CG2 ILE A 16 9.841 10.252 -1.148 1.00 0.00 C ATOM 223 CD1 ILE A 16 11.209 7.981 -2.405 1.00 0.00 C ATOM 0 H ILE A 16 7.468 7.081 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 16 9.457 7.786 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 16 8.200 9.663 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.440 7.905 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.297 9.432 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.159 11.058 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.194 10.655 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.716 9.791 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.857 7.578 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.757 8.724 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.887 7.174 -1.747 1.00 0.00 H new ATOM 235 N GLU A 17 6.251 8.222 -0.569 1.00 0.00 N ATOM 236 CA GLU A 17 5.065 8.655 0.221 1.00 0.00 C ATOM 237 C GLU A 17 3.933 7.641 0.041 1.00 0.00 C ATOM 238 O GLU A 17 3.683 7.162 -1.047 1.00 0.00 O ATOM 239 CB GLU A 17 4.600 10.029 -0.267 1.00 0.00 C ATOM 240 CG GLU A 17 4.224 10.898 0.934 1.00 0.00 C ATOM 241 CD GLU A 17 2.809 11.448 0.746 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.055 10.843 0.001 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.503 12.462 1.349 1.00 0.00 O ATOM 0 H GLU A 17 6.040 7.677 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 17 5.335 8.716 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.391 10.509 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.743 9.919 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.278 10.312 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.933 11.719 1.038 1.00 0.00 H new ATOM 250 N LEU A 18 3.246 7.310 1.100 1.00 0.00 N ATOM 251 CA LEU A 18 2.131 6.328 0.988 1.00 0.00 C ATOM 252 C LEU A 18 0.802 7.030 1.273 1.00 0.00 C ATOM 253 O LEU A 18 0.455 7.286 2.409 1.00 0.00 O ATOM 254 CB LEU A 18 2.340 5.202 2.002 1.00 0.00 C ATOM 255 CG LEU A 18 1.502 3.988 1.598 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.140 3.306 0.385 1.00 0.00 C ATOM 257 CD2 LEU A 18 1.442 2.998 2.763 1.00 0.00 C ATOM 0 H LEU A 18 3.409 7.677 2.038 1.00 0.00 H new ATOM 0 HA LEU A 18 2.113 5.912 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.395 4.930 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.055 5.538 2.999 1.00 0.00 H new ATOM 0 HG LEU A 18 0.493 4.314 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.542 2.441 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.184 4.009 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.149 2.981 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.845 2.133 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.451 2.674 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.987 3.481 3.628 1.00 0.00 H new ATOM 269 N LEU A 19 0.055 7.346 0.250 1.00 0.00 N ATOM 270 CA LEU A 19 -1.250 8.032 0.464 1.00 0.00 C ATOM 271 C LEU A 19 -2.392 7.061 0.158 1.00 0.00 C ATOM 272 O LEU A 19 -3.242 7.328 -0.669 1.00 0.00 O ATOM 273 CB LEU A 19 -1.347 9.243 -0.465 1.00 0.00 C ATOM 274 CG LEU A 19 -1.326 8.773 -1.921 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.340 9.580 -2.734 1.00 0.00 C ATOM 276 CD2 LEU A 19 0.075 8.984 -2.502 1.00 0.00 C ATOM 0 H LEU A 19 0.292 7.159 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.322 8.362 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.264 9.796 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.516 9.924 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.585 7.715 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.324 9.245 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.338 9.433 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.081 10.638 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.093 8.650 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.332 10.042 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.799 8.410 -1.924 1.00 0.00 H new ATOM 288 N VAL A 20 -2.420 5.935 0.818 1.00 0.00 N ATOM 289 CA VAL A 20 -3.507 4.950 0.564 1.00 0.00 C ATOM 290 C VAL A 20 -4.054 4.439 1.899 1.00 0.00 C ATOM 291 O VAL A 20 -3.411 4.541 2.924 1.00 0.00 O ATOM 292 CB VAL A 20 -2.952 3.774 -0.243 1.00 0.00 C ATOM 293 CG1 VAL A 20 -2.880 4.158 -1.721 1.00 0.00 C ATOM 294 CG2 VAL A 20 -1.549 3.428 0.263 1.00 0.00 C ATOM 0 H VAL A 20 -1.737 5.656 1.522 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.308 5.430 0.002 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.606 2.910 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.485 3.320 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.878 4.406 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.226 5.021 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.152 2.590 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.896 4.292 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.599 3.155 1.317 1.00 0.00 H new ATOM 304 N LYS A 21 -5.238 3.891 1.894 1.00 0.00 N ATOM 305 CA LYS A 21 -5.825 3.373 3.164 1.00 0.00 C ATOM 306 C LYS A 21 -6.493 2.022 2.903 1.00 0.00 C ATOM 307 O LYS A 21 -6.867 1.707 1.791 1.00 0.00 O ATOM 308 CB LYS A 21 -6.865 4.366 3.685 1.00 0.00 C ATOM 309 CG LYS A 21 -6.295 5.122 4.885 1.00 0.00 C ATOM 310 CD LYS A 21 -7.027 6.457 5.044 1.00 0.00 C ATOM 311 CE LYS A 21 -8.234 6.270 5.965 1.00 0.00 C ATOM 312 NZ LYS A 21 -7.802 5.593 7.220 1.00 0.00 N ATOM 0 H LYS A 21 -5.824 3.779 1.067 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.037 3.250 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.140 5.068 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.774 3.838 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.406 4.525 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.228 5.295 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.353 7.207 5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.352 6.824 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.681 7.237 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.999 5.677 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.377 5.936 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.927 4.565 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.800 5.804 7.401 1.00 0.00 H new ATOM 326 N THR A 22 -6.646 1.221 3.921 1.00 0.00 N ATOM 327 CA THR A 22 -7.290 -0.110 3.732 1.00 0.00 C ATOM 328 C THR A 22 -8.811 0.045 3.800 1.00 0.00 C ATOM 329 O THR A 22 -9.344 0.637 4.718 1.00 0.00 O ATOM 330 CB THR A 22 -6.824 -1.063 4.835 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.453 -0.823 5.118 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.006 -2.510 4.373 1.00 0.00 C ATOM 0 H THR A 22 -6.353 1.430 4.875 1.00 0.00 H new ATOM 0 HA THR A 22 -7.009 -0.515 2.760 1.00 0.00 H new ATOM 0 HB THR A 22 -7.416 -0.895 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.154 -1.431 5.825 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.674 -3.188 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.059 -2.693 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.416 -2.682 3.473 1.00 0.00 H new ATOM 340 N GLY A 23 -9.514 -0.483 2.835 1.00 0.00 N ATOM 341 CA GLY A 23 -11.000 -0.365 2.846 1.00 0.00 C ATOM 342 C GLY A 23 -11.413 0.974 2.235 1.00 0.00 C ATOM 343 O GLY A 23 -12.575 1.221 1.982 1.00 0.00 O ATOM 0 H GLY A 23 -9.124 -0.990 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.444 -1.186 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.373 -0.441 3.867 1.00 0.00 H new ATOM 347 N ASP A 24 -10.469 1.844 1.993 1.00 0.00 N ATOM 348 CA ASP A 24 -10.809 3.167 1.399 1.00 0.00 C ATOM 349 C ASP A 24 -11.065 3.002 -0.100 1.00 0.00 C ATOM 350 O ASP A 24 -10.294 2.385 -0.807 1.00 0.00 O ATOM 351 CB ASP A 24 -9.646 4.138 1.614 1.00 0.00 C ATOM 352 CG ASP A 24 -9.726 4.727 3.024 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.874 3.957 3.959 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.640 5.938 3.144 1.00 0.00 O ATOM 0 H ASP A 24 -9.478 1.695 2.181 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.704 3.561 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.696 3.620 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.683 4.936 0.872 1.00 0.00 H new ATOM 359 N LEU A 25 -12.143 3.551 -0.592 1.00 0.00 N ATOM 360 CA LEU A 25 -12.447 3.426 -2.045 1.00 0.00 C ATOM 361 C LEU A 25 -11.732 4.539 -2.813 1.00 0.00 C ATOM 362 O LEU A 25 -11.948 5.710 -2.572 1.00 0.00 O ATOM 363 CB LEU A 25 -13.957 3.545 -2.261 1.00 0.00 C ATOM 364 CG LEU A 25 -14.498 2.232 -2.827 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.496 1.623 -1.840 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.202 2.504 -4.159 1.00 0.00 C ATOM 0 H LEU A 25 -12.826 4.080 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.103 2.457 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.452 3.778 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.173 4.365 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.673 1.537 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.882 0.687 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.997 1.430 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.321 2.317 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.588 1.569 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.027 3.199 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.493 2.939 -4.863 1.00 0.00 H new ATOM 378 N ILE A 26 -10.880 4.184 -3.736 1.00 0.00 N ATOM 379 CA ILE A 26 -10.152 5.218 -4.517 1.00 0.00 C ATOM 380 C ILE A 26 -10.939 5.533 -5.792 1.00 0.00 C ATOM 381 O ILE A 26 -12.057 5.092 -5.967 1.00 0.00 O ATOM 382 CB ILE A 26 -8.770 4.680 -4.884 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.244 3.804 -3.745 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.805 5.846 -5.111 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.825 3.335 -4.073 1.00 0.00 C ATOM 0 H ILE A 26 -10.658 3.219 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.045 6.127 -3.926 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.846 4.089 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.246 4.365 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.898 2.944 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.821 5.458 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.176 6.472 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.731 6.439 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.451 2.711 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.837 2.758 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.174 4.201 -4.194 1.00 0.00 H new ATOM 397 N GLU A 27 -10.366 6.294 -6.683 1.00 0.00 N ATOM 398 CA GLU A 27 -11.084 6.635 -7.944 1.00 0.00 C ATOM 399 C GLU A 27 -10.078 6.733 -9.093 1.00 0.00 C ATOM 400 O GLU A 27 -8.887 6.850 -8.879 1.00 0.00 O ATOM 401 CB GLU A 27 -11.800 7.977 -7.776 1.00 0.00 C ATOM 402 CG GLU A 27 -13.218 7.737 -7.254 1.00 0.00 C ATOM 403 CD GLU A 27 -13.819 9.062 -6.783 1.00 0.00 C ATOM 404 OE1 GLU A 27 -14.021 9.929 -7.617 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.068 9.188 -5.594 1.00 0.00 O ATOM 0 H GLU A 27 -9.432 6.694 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.816 5.859 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.248 8.611 -7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.836 8.504 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.837 7.303 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.198 7.022 -6.432 1.00 0.00 H new ATOM 412 N VAL A 28 -10.548 6.686 -10.309 1.00 0.00 N ATOM 413 CA VAL A 28 -9.618 6.776 -11.470 1.00 0.00 C ATOM 414 C VAL A 28 -9.207 8.234 -11.683 1.00 0.00 C ATOM 415 O VAL A 28 -9.726 8.915 -12.546 1.00 0.00 O ATOM 416 CB VAL A 28 -10.318 6.255 -12.726 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.588 7.070 -12.979 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.378 6.391 -13.926 1.00 0.00 C ATOM 0 H VAL A 28 -11.535 6.589 -10.549 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.731 6.174 -11.272 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.582 5.207 -12.586 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.087 6.698 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.258 6.974 -12.124 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.326 8.119 -13.119 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.876 6.020 -14.822 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.115 7.440 -14.065 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.473 5.810 -13.747 1.00 0.00 H new ATOM 428 N GLU A 29 -8.277 8.718 -10.905 1.00 0.00 N ATOM 429 CA GLU A 29 -7.829 10.129 -11.060 1.00 0.00 C ATOM 430 C GLU A 29 -7.079 10.567 -9.801 1.00 0.00 C ATOM 431 O GLU A 29 -6.141 11.338 -9.863 1.00 0.00 O ATOM 432 CB GLU A 29 -9.045 11.034 -11.271 1.00 0.00 C ATOM 433 CG GLU A 29 -9.042 11.570 -12.704 1.00 0.00 C ATOM 434 CD GLU A 29 -9.578 13.003 -12.714 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.454 13.292 -11.916 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.102 13.787 -13.518 1.00 0.00 O ATOM 0 H GLU A 29 -7.807 8.194 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.167 10.206 -11.923 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.963 10.477 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.023 11.862 -10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.031 11.546 -13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.657 10.936 -13.342 1.00 0.00 H new ATOM 443 N GLN A 30 -7.485 10.084 -8.660 1.00 0.00 N ATOM 444 CA GLN A 30 -6.794 10.474 -7.397 1.00 0.00 C ATOM 445 C GLN A 30 -5.403 9.839 -7.359 1.00 0.00 C ATOM 446 O GLN A 30 -5.214 8.710 -7.766 1.00 0.00 O ATOM 447 CB GLN A 30 -7.609 9.986 -6.198 1.00 0.00 C ATOM 448 CG GLN A 30 -6.788 10.151 -4.919 1.00 0.00 C ATOM 449 CD GLN A 30 -7.507 9.465 -3.756 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.514 9.949 -3.280 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.030 8.349 -3.277 1.00 0.00 N ATOM 0 H GLN A 30 -8.265 9.436 -8.546 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.700 11.559 -7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.537 10.552 -6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.884 8.940 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.797 9.718 -5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.647 11.209 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.184 7.943 -3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.503 7.883 -2.503 1.00 0.00 H new ATOM 460 N GLY A 31 -4.426 10.556 -6.875 1.00 0.00 N ATOM 461 CA GLY A 31 -3.048 9.994 -6.812 1.00 0.00 C ATOM 462 C GLY A 31 -3.084 8.627 -6.126 1.00 0.00 C ATOM 463 O GLY A 31 -4.132 8.128 -5.768 1.00 0.00 O ATOM 0 H GLY A 31 -4.523 11.507 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.637 9.897 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.393 10.671 -6.263 1.00 0.00 H new ATOM 467 N LEU A 32 -1.945 8.017 -5.937 1.00 0.00 N ATOM 468 CA LEU A 32 -1.915 6.683 -5.274 1.00 0.00 C ATOM 469 C LEU A 32 -0.581 6.506 -4.546 1.00 0.00 C ATOM 470 O LEU A 32 -0.526 6.464 -3.332 1.00 0.00 O ATOM 471 CB LEU A 32 -2.071 5.585 -6.328 1.00 0.00 C ATOM 472 CG LEU A 32 -2.339 4.248 -5.637 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.848 4.009 -5.555 1.00 0.00 C ATOM 474 CD2 LEU A 32 -1.689 3.119 -6.441 1.00 0.00 C ATOM 0 H LEU A 32 -1.035 8.385 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.733 6.615 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.892 5.828 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.168 5.518 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.918 4.269 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.039 3.056 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.313 4.812 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.268 3.988 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.880 2.165 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.110 3.099 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.614 3.288 -6.501 1.00 0.00 H new ATOM 486 N VAL A 33 0.495 6.404 -5.275 1.00 0.00 N ATOM 487 CA VAL A 33 1.824 6.230 -4.624 1.00 0.00 C ATOM 488 C VAL A 33 2.843 7.158 -5.287 1.00 0.00 C ATOM 489 O VAL A 33 2.866 7.312 -6.492 1.00 0.00 O ATOM 490 CB VAL A 33 2.281 4.778 -4.778 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.345 3.861 -3.990 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.248 4.389 -6.257 1.00 0.00 C ATOM 0 H VAL A 33 0.512 6.434 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 33 1.744 6.476 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 33 3.297 4.675 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.671 2.827 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.367 4.138 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.329 3.964 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.573 3.355 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.232 4.493 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.915 5.042 -6.820 1.00 0.00 H new ATOM 502 N VAL A 34 3.688 7.779 -4.510 1.00 0.00 N ATOM 503 CA VAL A 34 4.705 8.697 -5.096 1.00 0.00 C ATOM 504 C VAL A 34 6.035 7.956 -5.243 1.00 0.00 C ATOM 505 O VAL A 34 6.865 7.968 -4.355 1.00 0.00 O ATOM 506 CB VAL A 34 4.892 9.905 -4.178 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.855 10.899 -4.831 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.540 10.583 -3.947 1.00 0.00 C ATOM 0 H VAL A 34 3.718 7.690 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 34 4.367 9.036 -6.076 1.00 0.00 H new ATOM 0 HB VAL A 34 5.302 9.576 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.988 11.760 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.818 10.417 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.445 11.229 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.672 11.445 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.130 10.912 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.853 9.876 -3.482 1.00 0.00 H new ATOM 518 N LEU A 35 6.246 7.310 -6.357 1.00 0.00 N ATOM 519 CA LEU A 35 7.523 6.570 -6.559 1.00 0.00 C ATOM 520 C LEU A 35 8.556 7.500 -7.199 1.00 0.00 C ATOM 521 O LEU A 35 8.217 8.408 -7.931 1.00 0.00 O ATOM 522 CB LEU A 35 7.278 5.371 -7.477 1.00 0.00 C ATOM 523 CG LEU A 35 6.061 4.588 -6.982 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.139 4.276 -8.162 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.525 3.279 -6.339 1.00 0.00 C ATOM 0 H LEU A 35 5.589 7.263 -7.136 1.00 0.00 H new ATOM 0 HA LEU A 35 7.896 6.220 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.114 5.710 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.157 4.726 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 35 5.521 5.184 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.272 3.718 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.808 5.207 -8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.679 3.680 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.659 2.720 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.066 2.684 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.182 3.500 -5.498 1.00 0.00 H new ATOM 537 N GLU A 36 9.813 7.282 -6.927 1.00 0.00 N ATOM 538 CA GLU A 36 10.865 8.154 -7.521 1.00 0.00 C ATOM 539 C GLU A 36 11.743 7.328 -8.462 1.00 0.00 C ATOM 540 O GLU A 36 11.693 6.114 -8.468 1.00 0.00 O ATOM 541 CB GLU A 36 11.729 8.743 -6.403 1.00 0.00 C ATOM 542 CG GLU A 36 11.992 10.223 -6.686 1.00 0.00 C ATOM 543 CD GLU A 36 13.098 10.733 -5.761 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.004 9.967 -5.476 1.00 0.00 O ATOM 545 OE2 GLU A 36 13.019 11.879 -5.351 1.00 0.00 O ATOM 0 H GLU A 36 10.157 6.538 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 36 10.393 8.962 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.226 8.629 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.673 8.202 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.284 10.358 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.080 10.801 -6.533 1.00 0.00 H new ATOM 552 N SER A 37 12.548 7.975 -9.258 1.00 0.00 N ATOM 553 CA SER A 37 13.429 7.227 -10.199 1.00 0.00 C ATOM 554 C SER A 37 14.762 7.964 -10.345 1.00 0.00 C ATOM 555 O SER A 37 15.032 8.920 -9.647 1.00 0.00 O ATOM 556 CB SER A 37 12.748 7.128 -11.565 1.00 0.00 C ATOM 557 OG SER A 37 11.536 7.868 -11.539 1.00 0.00 O ATOM 0 H SER A 37 12.634 8.991 -9.298 1.00 0.00 H new ATOM 0 HA SER A 37 13.609 6.225 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.407 7.515 -12.342 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.546 6.085 -11.809 1.00 0.00 H new ATOM 0 HG SER A 37 11.097 7.808 -12.413 1.00 0.00 H new ATOM 563 N ALA A 38 15.597 7.525 -11.247 1.00 0.00 N ATOM 564 CA ALA A 38 16.911 8.202 -11.436 1.00 0.00 C ATOM 565 C ALA A 38 16.739 9.399 -12.374 1.00 0.00 C ATOM 566 O ALA A 38 17.700 9.991 -12.822 1.00 0.00 O ATOM 567 CB ALA A 38 17.910 7.216 -12.045 1.00 0.00 C ATOM 0 H ALA A 38 15.426 6.728 -11.860 1.00 0.00 H new ATOM 0 HA ALA A 38 17.283 8.547 -10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.871 7.711 -12.183 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.033 6.364 -11.377 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.538 6.870 -13.009 1.00 0.00 H new ATOM 573 N LYS A 39 15.520 9.758 -12.674 1.00 0.00 N ATOM 574 CA LYS A 39 15.288 10.916 -13.583 1.00 0.00 C ATOM 575 C LYS A 39 14.459 11.977 -12.855 1.00 0.00 C ATOM 576 O LYS A 39 14.589 13.158 -13.104 1.00 0.00 O ATOM 577 CB LYS A 39 14.533 10.444 -14.827 1.00 0.00 C ATOM 578 CG LYS A 39 15.266 9.254 -15.449 1.00 0.00 C ATOM 579 CD LYS A 39 15.047 9.254 -16.963 1.00 0.00 C ATOM 580 CE LYS A 39 14.788 7.824 -17.441 1.00 0.00 C ATOM 581 NZ LYS A 39 13.326 7.628 -17.654 1.00 0.00 N ATOM 0 H LYS A 39 14.676 9.300 -12.329 1.00 0.00 H new ATOM 0 HA LYS A 39 16.246 11.343 -13.880 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.515 10.159 -14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.458 11.256 -15.550 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.331 9.312 -15.225 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.900 8.322 -15.018 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.202 9.893 -17.219 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.921 9.665 -17.468 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.330 7.635 -18.368 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.158 7.111 -16.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.150 6.656 -17.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.820 7.791 -16.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.987 8.300 -18.372 1.00 0.00 H new ATOM 595 N ALA A 40 13.609 11.563 -11.956 1.00 0.00 N ATOM 596 CA ALA A 40 12.772 12.548 -11.213 1.00 0.00 C ATOM 597 C ALA A 40 11.696 11.806 -10.418 1.00 0.00 C ATOM 598 O ALA A 40 11.702 10.594 -10.326 1.00 0.00 O ATOM 599 CB ALA A 40 12.105 13.502 -12.205 1.00 0.00 C ATOM 0 H ALA A 40 13.458 10.586 -11.704 1.00 0.00 H new ATOM 0 HA ALA A 40 13.402 13.117 -10.529 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.493 14.222 -11.662 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.871 14.031 -12.772 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.475 12.933 -12.889 1.00 0.00 H new ATOM 605 N SER A 41 10.772 12.523 -9.839 1.00 0.00 N ATOM 606 CA SER A 41 9.697 11.857 -9.050 1.00 0.00 C ATOM 607 C SER A 41 8.399 11.851 -9.860 1.00 0.00 C ATOM 608 O SER A 41 8.012 12.847 -10.438 1.00 0.00 O ATOM 609 CB SER A 41 9.479 12.620 -7.743 1.00 0.00 C ATOM 610 OG SER A 41 8.241 12.221 -7.169 1.00 0.00 O ATOM 0 H SER A 41 10.715 13.541 -9.878 1.00 0.00 H new ATOM 0 HA SER A 41 9.991 10.831 -8.828 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.296 12.419 -7.050 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.477 13.694 -7.931 1.00 0.00 H new ATOM 0 HG SER A 41 8.098 12.707 -6.330 1.00 0.00 H new ATOM 616 N MET A 42 7.724 10.735 -9.908 1.00 0.00 N ATOM 617 CA MET A 42 6.453 10.666 -10.680 1.00 0.00 C ATOM 618 C MET A 42 5.419 9.861 -9.890 1.00 0.00 C ATOM 619 O MET A 42 5.510 8.655 -9.779 1.00 0.00 O ATOM 620 CB MET A 42 6.709 9.985 -12.027 1.00 0.00 C ATOM 621 CG MET A 42 8.095 10.378 -12.541 1.00 0.00 C ATOM 622 SD MET A 42 8.511 9.369 -13.985 1.00 0.00 S ATOM 623 CE MET A 42 9.460 10.627 -14.875 1.00 0.00 C ATOM 0 H MET A 42 7.999 9.868 -9.446 1.00 0.00 H new ATOM 0 HA MET A 42 6.076 11.675 -10.849 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.643 8.902 -11.918 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.945 10.280 -12.747 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.110 11.435 -12.806 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.839 10.235 -11.758 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.821 10.212 -15.816 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.823 11.488 -15.078 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.309 10.940 -14.267 1.00 0.00 H new ATOM 633 N GLU A 43 4.435 10.518 -9.339 1.00 0.00 N ATOM 634 CA GLU A 43 3.398 9.790 -8.556 1.00 0.00 C ATOM 635 C GLU A 43 2.383 9.162 -9.514 1.00 0.00 C ATOM 636 O GLU A 43 2.336 9.487 -10.683 1.00 0.00 O ATOM 637 CB GLU A 43 2.681 10.769 -7.624 1.00 0.00 C ATOM 638 CG GLU A 43 1.811 11.718 -8.451 1.00 0.00 C ATOM 639 CD GLU A 43 0.336 11.457 -8.144 1.00 0.00 C ATOM 640 OE1 GLU A 43 -0.056 10.302 -8.156 1.00 0.00 O ATOM 641 OE2 GLU A 43 -0.377 12.417 -7.902 1.00 0.00 O ATOM 0 H GLU A 43 4.305 11.528 -9.398 1.00 0.00 H new ATOM 0 HA GLU A 43 3.873 9.007 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.064 10.223 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.410 11.337 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.064 12.753 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.004 11.572 -9.514 1.00 0.00 H new ATOM 648 N VAL A 44 1.572 8.263 -9.027 1.00 0.00 N ATOM 649 CA VAL A 44 0.561 7.615 -9.909 1.00 0.00 C ATOM 650 C VAL A 44 -0.781 7.540 -9.173 1.00 0.00 C ATOM 651 O VAL A 44 -0.818 7.304 -7.982 1.00 0.00 O ATOM 652 CB VAL A 44 1.029 6.201 -10.262 1.00 0.00 C ATOM 653 CG1 VAL A 44 -0.077 5.470 -11.025 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.282 6.283 -11.135 1.00 0.00 C ATOM 0 H VAL A 44 1.566 7.949 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 44 0.443 8.198 -10.822 1.00 0.00 H new ATOM 0 HB VAL A 44 1.258 5.656 -9.346 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.258 4.463 -11.276 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.970 5.411 -10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.308 6.014 -11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.616 5.277 -11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.053 6.829 -12.050 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.071 6.802 -10.591 1.00 0.00 H new ATOM 664 N PRO A 45 -1.847 7.746 -9.905 1.00 0.00 N ATOM 665 CA PRO A 45 -3.210 7.709 -9.347 1.00 0.00 C ATOM 666 C PRO A 45 -3.668 6.262 -9.150 1.00 0.00 C ATOM 667 O PRO A 45 -2.887 5.335 -9.234 1.00 0.00 O ATOM 668 CB PRO A 45 -4.056 8.407 -10.416 1.00 0.00 C ATOM 669 CG PRO A 45 -3.264 8.294 -11.740 1.00 0.00 C ATOM 670 CD PRO A 45 -1.796 8.032 -11.354 1.00 0.00 C ATOM 0 HA PRO A 45 -3.286 8.188 -8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.034 7.935 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.229 9.451 -10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.653 7.483 -12.356 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.353 9.210 -12.324 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.382 7.192 -11.911 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.168 8.897 -11.567 1.00 0.00 H new ATOM 678 N SER A 46 -4.929 6.065 -8.887 1.00 0.00 N ATOM 679 CA SER A 46 -5.441 4.681 -8.682 1.00 0.00 C ATOM 680 C SER A 46 -5.783 4.057 -10.043 1.00 0.00 C ATOM 681 O SER A 46 -6.562 4.611 -10.791 1.00 0.00 O ATOM 682 CB SER A 46 -6.701 4.729 -7.818 1.00 0.00 C ATOM 683 OG SER A 46 -7.591 3.701 -8.228 1.00 0.00 O ATOM 0 H SER A 46 -5.628 6.803 -8.805 1.00 0.00 H new ATOM 0 HA SER A 46 -4.679 4.081 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.440 4.602 -6.767 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.183 5.702 -7.912 1.00 0.00 H new ATOM 0 HG SER A 46 -7.804 3.128 -7.462 1.00 0.00 H new ATOM 689 N PRO A 47 -5.193 2.921 -10.324 1.00 0.00 N ATOM 690 CA PRO A 47 -5.425 2.205 -11.592 1.00 0.00 C ATOM 691 C PRO A 47 -6.758 1.453 -11.541 1.00 0.00 C ATOM 692 O PRO A 47 -7.143 0.786 -12.482 1.00 0.00 O ATOM 693 CB PRO A 47 -4.250 1.227 -11.672 1.00 0.00 C ATOM 694 CG PRO A 47 -3.743 1.033 -10.223 1.00 0.00 C ATOM 695 CD PRO A 47 -4.244 2.245 -9.416 1.00 0.00 C ATOM 0 HA PRO A 47 -5.481 2.867 -12.456 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.564 0.277 -12.104 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.459 1.621 -12.310 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.123 0.103 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.655 0.974 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.731 1.934 -8.492 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.422 2.904 -9.137 1.00 0.00 H new ATOM 703 N LYS A 48 -7.464 1.556 -10.450 1.00 0.00 N ATOM 704 CA LYS A 48 -8.771 0.850 -10.337 1.00 0.00 C ATOM 705 C LYS A 48 -9.605 1.498 -9.230 1.00 0.00 C ATOM 706 O LYS A 48 -9.236 1.487 -8.073 1.00 0.00 O ATOM 707 CB LYS A 48 -8.528 -0.622 -9.996 1.00 0.00 C ATOM 708 CG LYS A 48 -9.416 -1.504 -10.876 1.00 0.00 C ATOM 709 CD LYS A 48 -8.542 -2.484 -11.663 1.00 0.00 C ATOM 710 CE LYS A 48 -9.204 -3.863 -11.676 1.00 0.00 C ATOM 711 NZ LYS A 48 -8.898 -4.548 -12.962 1.00 0.00 N ATOM 0 H LYS A 48 -7.192 2.099 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.305 0.920 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.479 -0.874 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.746 -0.803 -8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.129 -2.051 -10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.996 -0.886 -11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.404 -2.126 -12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.552 -2.549 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.842 -4.460 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.282 -3.762 -11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.348 -5.486 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.264 -3.981 -13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.868 -4.657 -13.061 1.00 0.00 H new ATOM 725 N ALA A 49 -10.730 2.065 -9.576 1.00 0.00 N ATOM 726 CA ALA A 49 -11.585 2.714 -8.544 1.00 0.00 C ATOM 727 C ALA A 49 -12.315 1.638 -7.736 1.00 0.00 C ATOM 728 O ALA A 49 -13.469 1.344 -7.979 1.00 0.00 O ATOM 729 CB ALA A 49 -12.609 3.622 -9.226 1.00 0.00 C ATOM 0 H ALA A 49 -11.092 2.106 -10.529 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.961 3.309 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.235 4.097 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.090 4.389 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.234 3.029 -9.894 1.00 0.00 H new ATOM 735 N GLY A 50 -11.654 1.051 -6.777 1.00 0.00 N ATOM 736 CA GLY A 50 -12.313 -0.004 -5.955 1.00 0.00 C ATOM 737 C GLY A 50 -11.975 0.212 -4.480 1.00 0.00 C ATOM 738 O GLY A 50 -11.593 1.291 -4.072 1.00 0.00 O ATOM 0 H GLY A 50 -10.687 1.256 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.393 0.029 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.978 -0.991 -6.275 1.00 0.00 H new ATOM 742 N VAL A 51 -12.112 -0.806 -3.674 1.00 0.00 N ATOM 743 CA VAL A 51 -11.797 -0.658 -2.226 1.00 0.00 C ATOM 744 C VAL A 51 -10.443 -1.304 -1.929 1.00 0.00 C ATOM 745 O VAL A 51 -10.225 -2.466 -2.205 1.00 0.00 O ATOM 746 CB VAL A 51 -12.883 -1.345 -1.396 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.907 -2.840 -1.723 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.582 -1.156 0.092 1.00 0.00 C ATOM 0 H VAL A 51 -12.429 -1.734 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.758 0.401 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.852 -0.905 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.681 -3.329 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.119 -2.977 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.938 -3.280 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.355 -1.645 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.613 -1.596 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.563 -0.092 0.327 1.00 0.00 H new ATOM 758 N VAL A 52 -9.531 -0.557 -1.367 1.00 0.00 N ATOM 759 CA VAL A 52 -8.191 -1.130 -1.053 1.00 0.00 C ATOM 760 C VAL A 52 -8.365 -2.448 -0.298 1.00 0.00 C ATOM 761 O VAL A 52 -9.221 -2.579 0.554 1.00 0.00 O ATOM 762 CB VAL A 52 -7.406 -0.144 -0.185 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.020 -0.719 0.115 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.256 1.183 -0.932 1.00 0.00 C ATOM 0 H VAL A 52 -9.656 0.423 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.647 -1.312 -1.980 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.940 0.022 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.461 -0.017 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.126 -1.665 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.485 -0.885 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.697 1.887 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.721 1.016 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.243 1.593 -1.147 1.00 0.00 H new ATOM 774 N LYS A 53 -7.558 -3.429 -0.603 1.00 0.00 N ATOM 775 CA LYS A 53 -7.679 -4.738 0.098 1.00 0.00 C ATOM 776 C LYS A 53 -6.664 -4.799 1.242 1.00 0.00 C ATOM 777 O LYS A 53 -7.021 -4.759 2.403 1.00 0.00 O ATOM 778 CB LYS A 53 -7.400 -5.873 -0.890 1.00 0.00 C ATOM 779 CG LYS A 53 -7.620 -7.219 -0.197 1.00 0.00 C ATOM 780 CD LYS A 53 -9.111 -7.561 -0.206 1.00 0.00 C ATOM 781 CE LYS A 53 -9.376 -8.721 0.756 1.00 0.00 C ATOM 782 NZ LYS A 53 -8.964 -10.001 0.116 1.00 0.00 N ATOM 0 H LYS A 53 -6.821 -3.380 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.687 -4.844 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.057 -5.786 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.377 -5.805 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.054 -7.999 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.252 -7.176 0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.696 -6.690 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.427 -7.831 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.824 -8.572 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.434 -8.757 1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.144 -10.790 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.510 -10.144 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.950 -9.965 -0.112 1.00 0.00 H new ATOM 796 N SER A 54 -5.402 -4.894 0.925 1.00 0.00 N ATOM 797 CA SER A 54 -4.368 -4.955 1.996 1.00 0.00 C ATOM 798 C SER A 54 -3.015 -4.525 1.423 1.00 0.00 C ATOM 799 O SER A 54 -2.626 -4.937 0.349 1.00 0.00 O ATOM 800 CB SER A 54 -4.265 -6.387 2.523 1.00 0.00 C ATOM 801 OG SER A 54 -3.572 -7.188 1.575 1.00 0.00 O ATOM 0 H SER A 54 -5.042 -4.932 -0.029 1.00 0.00 H new ATOM 0 HA SER A 54 -4.648 -4.287 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.740 -6.398 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.260 -6.794 2.701 1.00 0.00 H new ATOM 0 HG SER A 54 -3.503 -8.106 1.911 1.00 0.00 H new ATOM 807 N VAL A 55 -2.296 -3.699 2.133 1.00 0.00 N ATOM 808 CA VAL A 55 -0.970 -3.243 1.629 1.00 0.00 C ATOM 809 C VAL A 55 0.092 -4.289 1.971 1.00 0.00 C ATOM 810 O VAL A 55 0.354 -4.567 3.124 1.00 0.00 O ATOM 811 CB VAL A 55 -0.605 -1.911 2.286 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.645 -1.337 1.618 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.767 -0.927 2.122 1.00 0.00 C ATOM 0 H VAL A 55 -2.570 -3.321 3.040 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.017 -3.113 0.548 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.409 -2.071 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.905 -0.388 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.473 -2.037 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.450 -1.177 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.508 0.023 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.962 -0.768 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.659 -1.335 2.598 1.00 0.00 H new ATOM 823 N SER A 56 0.706 -4.872 0.977 1.00 0.00 N ATOM 824 CA SER A 56 1.751 -5.900 1.247 1.00 0.00 C ATOM 825 C SER A 56 3.129 -5.236 1.254 1.00 0.00 C ATOM 826 O SER A 56 4.142 -5.887 1.094 1.00 0.00 O ATOM 827 CB SER A 56 1.705 -6.971 0.157 1.00 0.00 C ATOM 828 OG SER A 56 2.474 -8.093 0.570 1.00 0.00 O ATOM 0 H SER A 56 0.529 -4.681 -0.009 1.00 0.00 H new ATOM 0 HA SER A 56 1.566 -6.362 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.674 -7.271 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.096 -6.571 -0.779 1.00 0.00 H new ATOM 0 HG SER A 56 3.335 -7.787 0.923 1.00 0.00 H new ATOM 834 N VAL A 57 3.175 -3.945 1.438 1.00 0.00 N ATOM 835 CA VAL A 57 4.489 -3.242 1.454 1.00 0.00 C ATOM 836 C VAL A 57 4.455 -2.123 2.496 1.00 0.00 C ATOM 837 O VAL A 57 3.459 -1.908 3.158 1.00 0.00 O ATOM 838 CB VAL A 57 4.764 -2.644 0.073 1.00 0.00 C ATOM 839 CG1 VAL A 57 5.392 -3.709 -0.828 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.449 -2.165 -0.547 1.00 0.00 C ATOM 0 H VAL A 57 2.360 -3.347 1.578 1.00 0.00 H new ATOM 0 HA VAL A 57 5.278 -3.951 1.707 1.00 0.00 H new ATOM 0 HB VAL A 57 5.448 -1.801 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.588 -3.283 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.328 -4.052 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.708 -4.552 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.645 -1.739 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.765 -3.008 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.000 -1.407 0.094 1.00 0.00 H new ATOM 850 N LYS A 58 5.535 -1.407 2.648 1.00 0.00 N ATOM 851 CA LYS A 58 5.563 -0.303 3.648 1.00 0.00 C ATOM 852 C LYS A 58 6.089 0.973 2.987 1.00 0.00 C ATOM 853 O LYS A 58 6.620 0.943 1.894 1.00 0.00 O ATOM 854 CB LYS A 58 6.480 -0.690 4.810 1.00 0.00 C ATOM 855 CG LYS A 58 5.720 -0.546 6.131 1.00 0.00 C ATOM 856 CD LYS A 58 6.430 0.475 7.020 1.00 0.00 C ATOM 857 CE LYS A 58 5.399 1.206 7.883 1.00 0.00 C ATOM 858 NZ LYS A 58 4.651 0.216 8.709 1.00 0.00 N ATOM 0 H LYS A 58 6.399 -1.539 2.123 1.00 0.00 H new ATOM 0 HA LYS A 58 4.555 -0.128 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.826 -1.716 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.365 -0.054 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.695 -0.227 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.665 -1.509 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.161 -0.026 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.978 1.190 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.897 1.931 8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.708 1.763 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.140 0.712 9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.971 -0.293 8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.319 -0.462 9.128 1.00 0.00 H new ATOM 872 N LEU A 59 5.945 2.093 3.640 1.00 0.00 N ATOM 873 CA LEU A 59 6.437 3.369 3.047 1.00 0.00 C ATOM 874 C LEU A 59 7.957 3.450 3.200 1.00 0.00 C ATOM 875 O LEU A 59 8.528 2.895 4.118 1.00 0.00 O ATOM 876 CB LEU A 59 5.788 4.551 3.772 1.00 0.00 C ATOM 877 CG LEU A 59 6.263 4.582 5.225 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.945 5.920 5.511 1.00 0.00 C ATOM 879 CD2 LEU A 59 5.060 4.415 6.158 1.00 0.00 C ATOM 0 H LEU A 59 5.508 2.180 4.558 1.00 0.00 H new ATOM 0 HA LEU A 59 6.176 3.403 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.048 5.485 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.702 4.462 3.735 1.00 0.00 H new ATOM 0 HG LEU A 59 6.971 3.770 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.283 5.942 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.801 6.041 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.238 6.732 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.397 4.437 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.353 5.227 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.572 3.462 5.955 1.00 0.00 H new ATOM 891 N GLY A 60 8.616 4.138 2.308 1.00 0.00 N ATOM 892 CA GLY A 60 10.099 4.253 2.402 1.00 0.00 C ATOM 893 C GLY A 60 10.745 2.933 1.979 1.00 0.00 C ATOM 894 O GLY A 60 11.934 2.736 2.130 1.00 0.00 O ATOM 0 H GLY A 60 8.192 4.625 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.452 5.063 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.390 4.501 3.423 1.00 0.00 H new ATOM 898 N ASP A 61 9.970 2.024 1.451 1.00 0.00 N ATOM 899 CA ASP A 61 10.541 0.718 1.021 1.00 0.00 C ATOM 900 C ASP A 61 11.105 0.849 -0.396 1.00 0.00 C ATOM 901 O ASP A 61 10.637 1.642 -1.190 1.00 0.00 O ATOM 902 CB ASP A 61 9.444 -0.349 1.035 1.00 0.00 C ATOM 903 CG ASP A 61 9.375 -0.991 2.422 1.00 0.00 C ATOM 904 OD1 ASP A 61 10.389 -1.502 2.869 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.309 -0.960 3.016 1.00 0.00 O ATOM 0 H ASP A 61 8.967 2.131 1.300 1.00 0.00 H new ATOM 0 HA ASP A 61 11.339 0.429 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.483 0.099 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.651 -1.108 0.281 1.00 0.00 H new ATOM 910 N LYS A 62 12.107 0.080 -0.719 1.00 0.00 N ATOM 911 CA LYS A 62 12.699 0.162 -2.085 1.00 0.00 C ATOM 912 C LYS A 62 12.411 -1.136 -2.845 1.00 0.00 C ATOM 913 O LYS A 62 13.016 -2.159 -2.596 1.00 0.00 O ATOM 914 CB LYS A 62 14.212 0.362 -1.974 1.00 0.00 C ATOM 915 CG LYS A 62 14.809 0.528 -3.372 1.00 0.00 C ATOM 916 CD LYS A 62 16.254 1.018 -3.255 1.00 0.00 C ATOM 917 CE LYS A 62 16.798 1.340 -4.648 1.00 0.00 C ATOM 918 NZ LYS A 62 16.110 2.549 -5.183 1.00 0.00 N ATOM 0 H LYS A 62 12.542 -0.602 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 62 12.259 1.003 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.430 1.241 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.667 -0.492 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.778 -0.421 -3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.218 1.239 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.299 1.904 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.871 0.255 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.873 1.512 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.641 0.493 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.692 2.977 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.186 2.278 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.972 3.238 -4.416 1.00 0.00 H new ATOM 932 N LEU A 63 11.490 -1.100 -3.769 1.00 0.00 N ATOM 933 CA LEU A 63 11.164 -2.330 -4.543 1.00 0.00 C ATOM 934 C LEU A 63 11.642 -2.166 -5.987 1.00 0.00 C ATOM 935 O LEU A 63 12.089 -1.110 -6.387 1.00 0.00 O ATOM 936 CB LEU A 63 9.651 -2.556 -4.529 1.00 0.00 C ATOM 937 CG LEU A 63 9.297 -3.576 -3.445 1.00 0.00 C ATOM 938 CD1 LEU A 63 9.991 -4.905 -3.748 1.00 0.00 C ATOM 939 CD2 LEU A 63 9.765 -3.055 -2.085 1.00 0.00 C ATOM 0 H LEU A 63 10.950 -0.272 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 63 11.663 -3.187 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.134 -1.615 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.317 -2.914 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 63 8.218 -3.727 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.739 -5.632 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.659 -5.276 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.071 -4.756 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.514 -3.780 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.844 -2.905 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.271 -2.108 -1.869 1.00 0.00 H new ATOM 951 N LYS A 64 11.551 -3.204 -6.774 1.00 0.00 N ATOM 952 CA LYS A 64 12.000 -3.106 -8.191 1.00 0.00 C ATOM 953 C LYS A 64 10.781 -3.120 -9.115 1.00 0.00 C ATOM 954 O LYS A 64 9.817 -3.819 -8.874 1.00 0.00 O ATOM 955 CB LYS A 64 12.904 -4.295 -8.524 1.00 0.00 C ATOM 956 CG LYS A 64 13.503 -4.108 -9.919 1.00 0.00 C ATOM 957 CD LYS A 64 14.531 -5.208 -10.186 1.00 0.00 C ATOM 958 CE LYS A 64 13.951 -6.220 -11.176 1.00 0.00 C ATOM 959 NZ LYS A 64 14.903 -7.354 -11.343 1.00 0.00 N ATOM 0 H LYS A 64 11.185 -4.115 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 64 12.553 -2.177 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.700 -4.379 -7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.332 -5.222 -8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.715 -4.142 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.975 -3.128 -9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.447 -4.775 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.796 -5.706 -9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.990 -6.588 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.768 -5.740 -12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.509 -8.042 -12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.810 -6.996 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.056 -7.817 -10.424 1.00 0.00 H new ATOM 973 N GLU A 65 10.814 -2.348 -10.168 1.00 0.00 N ATOM 974 CA GLU A 65 9.659 -2.313 -11.106 1.00 0.00 C ATOM 975 C GLU A 65 9.153 -3.735 -11.351 1.00 0.00 C ATOM 976 O GLU A 65 9.925 -4.660 -11.511 1.00 0.00 O ATOM 977 CB GLU A 65 10.099 -1.691 -12.433 1.00 0.00 C ATOM 978 CG GLU A 65 11.052 -2.647 -13.153 1.00 0.00 C ATOM 979 CD GLU A 65 11.800 -1.890 -14.254 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.172 -0.754 -14.014 1.00 0.00 O ATOM 981 OE2 GLU A 65 11.988 -2.460 -15.315 1.00 0.00 O ATOM 0 H GLU A 65 11.593 -1.739 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 65 8.858 -1.715 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.229 -1.488 -13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.592 -0.736 -12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.761 -3.073 -12.444 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.494 -3.478 -13.583 1.00 0.00 H new ATOM 988 N GLY A 66 7.861 -3.919 -11.386 1.00 0.00 N ATOM 989 CA GLY A 66 7.307 -5.282 -11.622 1.00 0.00 C ATOM 990 C GLY A 66 6.898 -5.905 -10.287 1.00 0.00 C ATOM 991 O GLY A 66 6.213 -6.909 -10.244 1.00 0.00 O ATOM 0 H GLY A 66 7.165 -3.184 -11.261 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.446 -5.226 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.051 -5.908 -12.115 1.00 0.00 H new ATOM 995 N ASP A 67 7.310 -5.320 -9.196 1.00 0.00 N ATOM 996 CA ASP A 67 6.943 -5.880 -7.865 1.00 0.00 C ATOM 997 C ASP A 67 5.516 -5.457 -7.511 1.00 0.00 C ATOM 998 O ASP A 67 5.029 -4.441 -7.963 1.00 0.00 O ATOM 999 CB ASP A 67 7.910 -5.351 -6.804 1.00 0.00 C ATOM 1000 CG ASP A 67 9.142 -6.256 -6.738 1.00 0.00 C ATOM 1001 OD1 ASP A 67 8.992 -7.397 -6.332 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.213 -5.794 -7.094 1.00 0.00 O ATOM 0 H ASP A 67 7.885 -4.478 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 67 7.002 -6.968 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.208 -4.331 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.418 -5.318 -5.832 1.00 0.00 H new ATOM 1007 N ALA A 68 4.841 -6.230 -6.702 1.00 0.00 N ATOM 1008 CA ALA A 68 3.447 -5.871 -6.320 1.00 0.00 C ATOM 1009 C ALA A 68 3.476 -4.866 -5.166 1.00 0.00 C ATOM 1010 O ALA A 68 4.471 -4.716 -4.486 1.00 0.00 O ATOM 1011 CB ALA A 68 2.699 -7.131 -5.880 1.00 0.00 C ATOM 0 H ALA A 68 5.196 -7.093 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 68 2.939 -5.426 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.679 -6.869 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.678 -7.847 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.207 -7.576 -5.024 1.00 0.00 H new ATOM 1017 N ILE A 69 2.393 -4.174 -4.942 1.00 0.00 N ATOM 1018 CA ILE A 69 2.359 -3.180 -3.834 1.00 0.00 C ATOM 1019 C ILE A 69 1.079 -3.370 -3.017 1.00 0.00 C ATOM 1020 O ILE A 69 1.117 -3.536 -1.814 1.00 0.00 O ATOM 1021 CB ILE A 69 2.387 -1.766 -4.416 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.716 -1.540 -5.141 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.245 -0.745 -3.285 1.00 0.00 C ATOM 1024 CD1 ILE A 69 3.447 -1.241 -6.617 1.00 0.00 C ATOM 0 H ILE A 69 1.530 -4.255 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 69 3.226 -3.325 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 69 1.563 -1.647 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.256 -0.711 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.349 -2.423 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.265 0.263 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.300 -0.905 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.069 -0.864 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.393 -1.080 -7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.925 -2.084 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.831 -0.346 -6.700 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.055 -3.346 -3.661 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.336 -3.526 -2.922 1.00 0.00 C ATOM 1038 C ILE A 70 -2.318 -4.318 -3.787 1.00 0.00 C ATOM 1039 O ILE A 70 -1.969 -4.820 -4.837 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.934 -2.155 -2.597 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.301 -1.439 -3.899 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.909 -1.319 -1.829 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -2.981 -0.108 -3.575 1.00 0.00 C ATOM 0 H ILE A 70 -0.150 -3.209 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.148 -4.070 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.828 -2.284 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.406 -1.266 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.966 -2.064 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.335 -0.343 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.645 -1.828 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.015 -1.189 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.242 0.402 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.885 -0.293 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.301 0.517 -2.996 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.544 -4.436 -3.355 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.546 -5.197 -4.153 1.00 0.00 C ATOM 1057 C GLU A 71 -5.878 -4.444 -4.151 1.00 0.00 C ATOM 1058 O GLU A 71 -6.508 -4.282 -3.124 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.741 -6.584 -3.536 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.823 -7.588 -4.235 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.485 -8.727 -3.273 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -2.915 -8.447 -2.231 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -3.802 -9.861 -3.593 1.00 0.00 O ATOM 0 H GLU A 71 -3.895 -4.038 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.191 -5.302 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.519 -6.554 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.781 -6.895 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.311 -7.983 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.909 -7.093 -4.565 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.312 -3.985 -5.291 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.604 -3.243 -5.353 1.00 0.00 C ATOM 1072 C LEU A 72 -8.745 -4.231 -5.608 1.00 0.00 C ATOM 1073 O LEU A 72 -8.631 -5.130 -6.417 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.549 -2.218 -6.489 1.00 0.00 C ATOM 1075 CG LEU A 72 -8.786 -1.317 -6.436 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -10.010 -2.097 -6.919 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.016 -0.845 -4.998 1.00 0.00 C ATOM 0 H LEU A 72 -5.829 -4.091 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.775 -2.727 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.645 -1.615 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.501 -2.729 -7.450 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.630 -0.452 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.889 -1.454 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.848 -2.430 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.166 -2.964 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.897 -0.204 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.170 -1.709 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.146 -0.285 -4.655 1.00 0.00 H new ATOM 1089 N GLU A 73 -9.845 -4.067 -4.926 1.00 0.00 N ATOM 1090 CA GLU A 73 -10.994 -4.996 -5.129 1.00 0.00 C ATOM 1091 C GLU A 73 -12.144 -4.241 -5.805 1.00 0.00 C ATOM 1092 O GLU A 73 -12.932 -3.597 -5.142 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.462 -5.530 -3.774 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.424 -6.699 -3.991 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.342 -7.658 -2.801 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -11.491 -8.532 -2.828 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.131 -7.501 -1.884 1.00 0.00 O ATOM 0 H GLU A 73 -9.999 -3.331 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.683 -5.829 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.605 -5.855 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.956 -4.739 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.443 -6.329 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.172 -7.224 -4.912 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.204 -4.344 -7.108 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.247 -3.680 -7.910 1.00 0.00 C ATOM 1106 C PRO A 74 -14.567 -4.453 -7.819 1.00 0.00 C ATOM 1107 O PRO A 74 -14.625 -5.637 -8.085 1.00 0.00 O ATOM 1108 CB PRO A 74 -12.686 -3.720 -9.333 1.00 0.00 C ATOM 1109 CG PRO A 74 -11.658 -4.875 -9.365 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.240 -5.132 -7.905 1.00 0.00 C ATOM 0 HA PRO A 74 -13.467 -2.667 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.481 -3.888 -10.059 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.213 -2.772 -9.591 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.095 -5.771 -9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.794 -4.608 -9.974 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.291 -6.192 -7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.215 -4.810 -7.722 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.627 -3.789 -7.446 1.00 0.00 N ATOM 1119 CA ALA A 75 -16.943 -4.482 -7.338 1.00 0.00 C ATOM 1120 C ALA A 75 -18.053 -3.441 -7.179 1.00 0.00 C ATOM 1121 O ALA A 75 -18.494 -3.153 -6.085 1.00 0.00 O ATOM 1122 CB ALA A 75 -16.933 -5.408 -6.121 1.00 0.00 C ATOM 0 H ALA A 75 -15.639 -2.796 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.121 -5.069 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.895 -5.915 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.141 -6.148 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.756 -4.822 -5.219 1.00 0.00 H new ATOM 1128 N ALA A 76 -18.505 -2.873 -8.263 1.00 0.00 N ATOM 1129 CA ALA A 76 -19.586 -1.850 -8.174 1.00 0.00 C ATOM 1130 C ALA A 76 -20.950 -2.536 -8.257 1.00 0.00 C ATOM 1131 O ALA A 76 -21.254 -3.220 -9.213 1.00 0.00 O ATOM 1132 CB ALA A 76 -19.443 -0.857 -9.328 1.00 0.00 C ATOM 0 H ALA A 76 -18.173 -3.073 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 76 -19.506 -1.320 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.233 -0.109 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.472 -0.366 -9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -19.522 -1.388 -10.277 1.00 0.00 H new ATOM 1138 N GLY A 77 -21.776 -2.356 -7.261 1.00 0.00 N ATOM 1139 CA GLY A 77 -23.123 -2.996 -7.282 1.00 0.00 C ATOM 1140 C GLY A 77 -22.998 -4.440 -7.769 1.00 0.00 C ATOM 1141 O GLY A 77 -22.659 -5.332 -7.017 1.00 0.00 O ATOM 0 H GLY A 77 -21.576 -1.793 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -23.562 -2.975 -6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -23.792 -2.437 -7.937 1.00 0.00 H new ATOM 1145 N ALA A 78 -23.272 -4.679 -9.023 1.00 0.00 N ATOM 1146 CA ALA A 78 -23.171 -6.065 -9.558 1.00 0.00 C ATOM 1147 C ALA A 78 -24.158 -6.971 -8.817 1.00 0.00 C ATOM 1148 O ALA A 78 -23.997 -8.174 -8.771 1.00 0.00 O ATOM 1149 CB ALA A 78 -21.747 -6.588 -9.354 1.00 0.00 C ATOM 0 H ALA A 78 -23.562 -3.973 -9.700 1.00 0.00 H new ATOM 0 HA ALA A 78 -23.408 -6.062 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -21.672 -7.603 -9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -21.044 -5.943 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -21.509 -6.591 -8.290 1.00 0.00 H new ATOM 1155 N ARG A 79 -25.179 -6.403 -8.237 1.00 0.00 N ATOM 1156 CA ARG A 79 -26.175 -7.232 -7.501 1.00 0.00 C ATOM 1157 C ARG A 79 -27.251 -7.717 -8.473 1.00 0.00 C ATOM 1158 O ARG A 79 -27.734 -8.823 -8.287 1.00 0.00 O ATOM 1159 CB ARG A 79 -26.823 -6.393 -6.399 1.00 0.00 C ATOM 1160 CG ARG A 79 -26.861 -7.198 -5.098 1.00 0.00 C ATOM 1161 CD ARG A 79 -27.397 -6.318 -3.967 1.00 0.00 C ATOM 1162 NE ARG A 79 -27.728 -7.169 -2.790 1.00 0.00 N ATOM 1163 CZ ARG A 79 -28.715 -6.839 -2.003 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -29.943 -6.888 -2.441 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -28.474 -6.458 -0.778 1.00 0.00 N ATOM 0 H ARG A 79 -25.367 -5.400 -8.241 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.674 -8.091 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -26.261 -5.471 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -27.833 -6.107 -6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -27.494 -8.077 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -25.862 -7.557 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -26.654 -5.570 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -28.284 -5.779 -4.300 1.00 0.00 H new ATOM 0 HE ARG A 79 -27.183 -8.010 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -30.131 -7.184 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -30.715 -6.630 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -27.514 -6.418 -0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -29.246 -6.200 -0.163 1.00 0.00 H new TER 1179 ARG A 79