USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 122:sc= 1.21 USER MOD Set 1.2: A 44 THR OG1 : rot -48:sc= 1.34 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -154:sc= 2.44 (180deg=-0.592!) USER MOD Set 2.2: A 27 THR OG1 : rot 50:sc= 0.249 USER MOD Set 3.1: A 25 TYR OH : rot -34:sc= 0.322 USER MOD Set 3.2: A 39 ASN :FLIP amide:sc= -1.74! C(o=-5!,f=-1.4!) USER MOD Single : A 11 GLN : amide:sc= -0.184 K(o=-0.18,f=-3.9!) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0.695 (180deg=0.601) USER MOD Single : A 20 TYR OH : rot 20:sc= 0.517 USER MOD Single : A 32 GLN : amide:sc= -0.91! C(o=-0.91!,f=-3.7!) USER MOD Single : A 34 SER OG : rot 45:sc= 0.767 USER MOD Single : A 35 GLN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 1.32 (180deg=1.2) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.991 K(o=-0.99,f=-4.7!) USER MOD Single : A 49 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.54) USER MOD Single : A 51 ASN : amide:sc= -0.949 K(o=-0.95,f=-6.5!) USER MOD Single : A 54 CYS SG : rot -143:sc= 0.133 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.282) USER MOD Single : A 56 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.14) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 147:sc= -0.249 (180deg=-0.36) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 74 CYS SG : rot -87:sc= 1.26 USER MOD Single : A 75 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 3.117 -11.927 0.943 1.00 0.00 N ATOM 71 CA ILE A 6 2.003 -12.742 1.516 1.00 0.00 C ATOM 72 C ILE A 6 1.045 -11.889 2.344 1.00 0.00 C ATOM 73 O ILE A 6 -0.152 -12.154 2.446 1.00 0.00 O ATOM 74 CB ILE A 6 2.480 -13.948 2.373 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.851 -13.678 3.857 1.00 0.00 C ATOM 76 CG2 ILE A 6 3.697 -14.589 1.697 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.690 -13.620 4.876 1.00 0.00 C ATOM 0 HA ILE A 6 1.483 -13.144 0.646 1.00 0.00 H new ATOM 0 HB ILE A 6 1.601 -14.591 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.544 -14.455 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.389 -12.731 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.039 -15.436 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.420 -14.933 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.498 -13.854 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.089 -13.425 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.002 -12.822 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.159 -14.572 4.878 1.00 0.00 H new ATOM 89 N LEU A 7 1.645 -10.867 2.958 1.00 0.00 N ATOM 90 CA LEU A 7 1.088 -9.879 3.886 1.00 0.00 C ATOM 91 C LEU A 7 -0.060 -9.024 3.309 1.00 0.00 C ATOM 92 O LEU A 7 -0.537 -8.117 3.985 1.00 0.00 O ATOM 93 CB LEU A 7 2.251 -8.984 4.370 1.00 0.00 C ATOM 94 CG LEU A 7 3.461 -9.721 4.986 1.00 0.00 C ATOM 95 CD1 LEU A 7 4.571 -8.719 5.295 1.00 0.00 C ATOM 96 CD2 LEU A 7 3.101 -10.440 6.286 1.00 0.00 C ATOM 0 H LEU A 7 2.638 -10.693 2.801 1.00 0.00 H new ATOM 0 HA LEU A 7 0.626 -10.424 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.603 -8.391 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.862 -8.285 5.110 1.00 0.00 H new ATOM 0 HG LEU A 7 3.787 -10.461 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.423 -9.242 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.880 -8.223 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.203 -7.975 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.984 -10.943 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.741 -9.714 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.321 -11.176 6.091 1.00 0.00 H new ATOM 108 N ASP A 8 -0.491 -9.289 2.074 1.00 0.00 N ATOM 109 CA ASP A 8 -1.599 -8.581 1.412 1.00 0.00 C ATOM 110 C ASP A 8 -2.982 -8.942 1.986 1.00 0.00 C ATOM 111 O ASP A 8 -3.928 -8.160 1.920 1.00 0.00 O ATOM 112 CB ASP A 8 -1.546 -8.803 -0.108 1.00 0.00 C ATOM 113 CG ASP A 8 -1.973 -10.197 -0.576 1.00 0.00 C ATOM 114 OD1 ASP A 8 -1.166 -11.153 -0.536 1.00 0.00 O ATOM 115 OD2 ASP A 8 -3.125 -10.364 -1.042 1.00 0.00 O ATOM 0 H ASP A 8 -0.074 -10.015 1.491 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.462 -7.519 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.185 -8.063 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.528 -8.617 -0.451 1.00 0.00 H new ATOM 120 N ILE A 9 -3.065 -10.111 2.622 1.00 0.00 N ATOM 121 CA ILE A 9 -4.225 -10.610 3.368 1.00 0.00 C ATOM 122 C ILE A 9 -3.795 -11.181 4.723 1.00 0.00 C ATOM 123 O ILE A 9 -2.755 -11.825 4.838 1.00 0.00 O ATOM 124 CB ILE A 9 -4.990 -11.665 2.560 1.00 0.00 C ATOM 125 CG1 ILE A 9 -4.094 -12.842 2.135 1.00 0.00 C ATOM 126 CG2 ILE A 9 -5.689 -11.030 1.352 1.00 0.00 C ATOM 127 CD1 ILE A 9 -4.930 -13.969 1.551 1.00 0.00 C ATOM 0 H ILE A 9 -2.287 -10.770 2.632 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.894 -9.768 3.545 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.755 -12.078 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.365 -12.504 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.532 -13.207 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.224 -11.799 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.395 -10.274 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.946 -10.565 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.278 -14.791 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.641 -14.320 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.472 -13.605 0.678 1.00 0.00 H new ATOM 139 N ARG A 10 -4.594 -11.014 5.783 1.00 0.00 N ATOM 140 CA ARG A 10 -4.301 -11.466 7.116 1.00 0.00 C ATOM 141 C ARG A 10 -3.929 -12.944 7.258 1.00 0.00 C ATOM 142 O ARG A 10 -4.778 -13.828 7.236 1.00 0.00 O ATOM 143 CB ARG A 10 -5.528 -11.079 7.939 1.00 0.00 C ATOM 144 CG ARG A 10 -5.069 -10.405 9.206 1.00 0.00 C ATOM 145 CD ARG A 10 -4.251 -11.380 10.061 1.00 0.00 C ATOM 146 NE ARG A 10 -4.194 -10.983 11.483 1.00 0.00 N ATOM 147 CZ ARG A 10 -5.112 -11.228 12.403 1.00 0.00 C ATOM 148 NH1 ARG A 10 -6.230 -11.839 12.124 1.00 0.00 N ATOM 149 NH2 ARG A 10 -4.929 -10.857 13.636 1.00 0.00 N ATOM 0 H ARG A 10 -5.494 -10.539 5.716 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.386 -10.990 7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.171 -10.410 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.119 -11.964 8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.466 -9.530 8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.931 -10.051 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.685 -12.377 9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.238 -11.442 9.665 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.366 -10.470 11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.419 -12.145 11.170 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.915 -12.011 12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.071 -10.372 13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.643 -11.051 14.338 1.00 0.00 H new ATOM 163 N GLN A 11 -2.656 -13.167 7.544 1.00 0.00 N ATOM 164 CA GLN A 11 -2.122 -14.460 7.947 1.00 0.00 C ATOM 165 C GLN A 11 -2.579 -14.794 9.372 1.00 0.00 C ATOM 166 O GLN A 11 -2.381 -14.026 10.312 1.00 0.00 O ATOM 167 CB GLN A 11 -0.601 -14.504 7.702 1.00 0.00 C ATOM 168 CG GLN A 11 0.321 -14.683 8.921 1.00 0.00 C ATOM 169 CD GLN A 11 1.777 -14.810 8.482 1.00 0.00 C ATOM 170 OE1 GLN A 11 2.103 -15.580 7.605 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.700 -14.044 9.020 1.00 0.00 N ATOM 0 H GLN A 11 -1.947 -12.435 7.501 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.525 -15.263 7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.398 -15.319 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.316 -13.579 7.201 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.212 -13.832 9.594 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.026 -15.571 9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.450 -13.388 9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.666 -14.106 8.698 1.00 0.00 H new ATOM 180 N GLY A 12 -3.239 -15.935 9.501 1.00 0.00 N ATOM 181 CA GLY A 12 -3.691 -16.556 10.751 1.00 0.00 C ATOM 182 C GLY A 12 -4.699 -17.697 10.541 1.00 0.00 C ATOM 183 O GLY A 12 -5.770 -17.687 11.141 1.00 0.00 O ATOM 0 H GLY A 12 -3.493 -16.493 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.825 -16.942 11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.145 -15.793 11.383 1.00 0.00 H new ATOM 187 N PRO A 13 -4.365 -18.695 9.705 1.00 0.00 N ATOM 188 CA PRO A 13 -5.224 -19.767 9.187 1.00 0.00 C ATOM 189 C PRO A 13 -5.478 -20.907 10.184 1.00 0.00 C ATOM 190 O PRO A 13 -5.460 -22.077 9.808 1.00 0.00 O ATOM 191 CB PRO A 13 -4.447 -20.268 7.969 1.00 0.00 C ATOM 192 CG PRO A 13 -3.015 -20.206 8.479 1.00 0.00 C ATOM 193 CD PRO A 13 -3.024 -18.877 9.185 1.00 0.00 C ATOM 0 HA PRO A 13 -6.226 -19.400 8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.738 -21.279 7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.600 -19.634 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.780 -21.030 9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.286 -20.239 7.669 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.290 -18.861 9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.762 -18.072 8.499 1.00 0.00 H new ATOM 201 N LYS A 14 -5.682 -20.583 11.466 1.00 0.00 N ATOM 202 CA LYS A 14 -5.887 -21.559 12.574 1.00 0.00 C ATOM 203 C LYS A 14 -7.059 -22.561 12.387 1.00 0.00 C ATOM 204 O LYS A 14 -7.378 -23.315 13.295 1.00 0.00 O ATOM 205 CB LYS A 14 -5.959 -20.831 13.923 1.00 0.00 C ATOM 206 CG LYS A 14 -5.107 -21.438 15.066 1.00 0.00 C ATOM 207 CD LYS A 14 -5.400 -22.888 15.504 1.00 0.00 C ATOM 208 CE LYS A 14 -6.795 -23.049 16.141 1.00 0.00 C ATOM 209 NZ LYS A 14 -7.439 -24.341 15.782 1.00 0.00 N ATOM 0 H LYS A 14 -5.712 -19.614 11.783 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.006 -22.201 12.554 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.647 -19.797 13.773 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.000 -20.806 14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.061 -21.386 14.765 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.219 -20.797 15.941 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.322 -23.547 14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.641 -23.208 16.218 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.706 -22.980 17.225 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.434 -22.226 15.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.281 -24.486 16.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.719 -24.323 14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.767 -25.119 15.939 1.00 0.00 H new ATOM 223 N GLU A 15 -7.717 -22.577 11.239 1.00 0.00 N ATOM 224 CA GLU A 15 -8.790 -23.494 10.836 1.00 0.00 C ATOM 225 C GLU A 15 -8.712 -23.771 9.311 1.00 0.00 C ATOM 226 O GLU A 15 -8.552 -24.934 8.927 1.00 0.00 O ATOM 227 CB GLU A 15 -10.157 -22.894 11.245 1.00 0.00 C ATOM 228 CG GLU A 15 -10.655 -23.285 12.648 1.00 0.00 C ATOM 229 CD GLU A 15 -11.124 -24.740 12.714 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.901 -25.158 11.823 1.00 0.00 O ATOM 231 OE2 GLU A 15 -10.736 -25.491 13.640 1.00 0.00 O ATOM 0 H GLU A 15 -7.505 -21.902 10.504 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.673 -24.451 11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.089 -21.807 11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.904 -23.203 10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.854 -23.131 13.371 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.476 -22.628 12.936 1.00 0.00 H new ATOM 238 N PRO A 16 -8.750 -22.751 8.419 1.00 0.00 N ATOM 239 CA PRO A 16 -8.680 -22.943 6.966 1.00 0.00 C ATOM 240 C PRO A 16 -7.262 -23.274 6.469 1.00 0.00 C ATOM 241 O PRO A 16 -6.559 -22.369 6.010 1.00 0.00 O ATOM 242 CB PRO A 16 -9.215 -21.633 6.355 1.00 0.00 C ATOM 243 CG PRO A 16 -8.856 -20.583 7.398 1.00 0.00 C ATOM 244 CD PRO A 16 -9.033 -21.344 8.706 1.00 0.00 C ATOM 0 HA PRO A 16 -9.273 -23.805 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.749 -21.419 5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.291 -21.679 6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.836 -20.220 7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.512 -19.714 7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.356 -20.962 9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.046 -21.224 9.089 1.00 0.00 H new ATOM 252 N PHE A 17 -6.843 -24.559 6.470 1.00 0.00 N ATOM 253 CA PHE A 17 -5.557 -24.897 5.830 1.00 0.00 C ATOM 254 C PHE A 17 -5.629 -24.547 4.354 1.00 0.00 C ATOM 255 O PHE A 17 -4.928 -23.630 3.949 1.00 0.00 O ATOM 256 CB PHE A 17 -5.044 -26.349 5.999 1.00 0.00 C ATOM 257 CG PHE A 17 -3.696 -26.525 6.704 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.348 -25.725 7.813 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.755 -27.470 6.224 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.056 -25.803 8.367 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.468 -27.555 6.794 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.107 -26.693 7.840 1.00 0.00 C ATOM 0 H PHE A 17 -7.348 -25.342 6.885 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.821 -24.299 6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.794 -26.912 6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.972 -26.802 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.076 -25.050 8.239 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.026 -28.131 5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.793 -25.173 9.204 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.761 -28.283 6.425 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.103 -26.714 8.238 1.00 0.00 H new ATOM 272 N ARG A 18 -6.471 -25.196 3.522 1.00 0.00 N ATOM 273 CA ARG A 18 -6.389 -24.928 2.098 1.00 0.00 C ATOM 274 C ARG A 18 -6.932 -23.527 1.814 1.00 0.00 C ATOM 275 O ARG A 18 -6.370 -22.791 1.013 1.00 0.00 O ATOM 276 CB ARG A 18 -6.982 -26.096 1.277 1.00 0.00 C ATOM 277 CG ARG A 18 -8.484 -25.978 1.000 1.00 0.00 C ATOM 278 CD ARG A 18 -8.697 -24.826 -0.002 1.00 0.00 C ATOM 279 NE ARG A 18 -9.283 -25.124 -1.302 1.00 0.00 N ATOM 280 CZ ARG A 18 -10.515 -24.818 -1.644 1.00 0.00 C ATOM 281 NH1 ARG A 18 -11.494 -24.703 -0.791 1.00 0.00 N ATOM 282 NH2 ARG A 18 -10.777 -24.606 -2.900 1.00 0.00 N ATOM 0 H ARG A 18 -7.178 -25.874 3.806 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.355 -24.897 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.454 -26.160 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.795 -27.029 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.871 -26.912 0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.027 -25.784 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.329 -24.081 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.728 -24.357 -0.177 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.700 -25.600 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.324 -24.853 0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.430 -24.463 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.034 -24.679 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.725 -24.367 -3.190 1.00 0.00 H new ATOM 296 N ASP A 19 -8.018 -23.153 2.497 1.00 0.00 N ATOM 297 CA ASP A 19 -8.728 -21.896 2.243 1.00 0.00 C ATOM 298 C ASP A 19 -7.934 -20.635 2.610 1.00 0.00 C ATOM 299 O ASP A 19 -8.381 -19.518 2.350 1.00 0.00 O ATOM 300 CB ASP A 19 -10.165 -21.977 2.776 1.00 0.00 C ATOM 301 CG ASP A 19 -10.995 -22.750 1.749 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.314 -22.145 0.697 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.140 -23.986 1.897 1.00 0.00 O ATOM 0 H ASP A 19 -8.430 -23.714 3.243 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.821 -21.770 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.187 -22.480 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.575 -20.978 2.926 1.00 0.00 H new ATOM 308 N TYR A 20 -6.719 -20.831 3.127 1.00 0.00 N ATOM 309 CA TYR A 20 -5.683 -19.813 3.209 1.00 0.00 C ATOM 310 C TYR A 20 -4.425 -20.249 2.431 1.00 0.00 C ATOM 311 O TYR A 20 -3.788 -19.383 1.850 1.00 0.00 O ATOM 312 CB TYR A 20 -5.382 -19.419 4.651 1.00 0.00 C ATOM 313 CG TYR A 20 -4.582 -18.126 4.751 1.00 0.00 C ATOM 314 CD1 TYR A 20 -5.212 -16.882 4.534 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.201 -18.159 5.013 1.00 0.00 C ATOM 316 CE1 TYR A 20 -4.459 -15.688 4.551 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.452 -16.972 5.042 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.065 -15.733 4.781 1.00 0.00 C ATOM 319 OH TYR A 20 -2.283 -14.618 4.779 1.00 0.00 O ATOM 0 H TYR A 20 -6.426 -21.730 3.510 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.059 -18.909 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.319 -19.305 5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.828 -20.223 5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.276 -16.843 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.712 -19.105 5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.948 -14.739 4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.396 -17.010 5.267 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.843 -13.826 4.919 1.00 0.00 H new ATOM 329 N VAL A 21 -4.092 -21.547 2.285 1.00 0.00 N ATOM 330 CA VAL A 21 -2.963 -22.050 1.450 1.00 0.00 C ATOM 331 C VAL A 21 -2.976 -21.525 0.033 1.00 0.00 C ATOM 332 O VAL A 21 -1.972 -20.985 -0.421 1.00 0.00 O ATOM 333 CB VAL A 21 -2.853 -23.599 1.429 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.496 -24.426 0.306 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.407 -24.059 1.438 1.00 0.00 C ATOM 0 H VAL A 21 -4.605 -22.296 2.750 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.079 -21.652 1.948 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.438 -23.796 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.303 -25.485 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.572 -24.250 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.070 -24.131 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.372 -25.148 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.895 -23.667 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.914 -23.693 2.339 1.00 0.00 H new ATOM 345 N ASP A 22 -4.136 -21.605 -0.608 1.00 0.00 N ATOM 346 CA ASP A 22 -4.423 -21.104 -1.933 1.00 0.00 C ATOM 347 C ASP A 22 -4.038 -19.617 -2.054 1.00 0.00 C ATOM 348 O ASP A 22 -3.295 -19.171 -2.929 1.00 0.00 O ATOM 349 CB ASP A 22 -5.944 -21.270 -2.077 1.00 0.00 C ATOM 350 CG ASP A 22 -6.570 -22.672 -2.196 1.00 0.00 C ATOM 351 OD1 ASP A 22 -5.881 -23.699 -2.030 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.813 -22.695 -2.378 1.00 0.00 O ATOM 0 H ASP A 22 -4.949 -22.051 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.862 -21.633 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.403 -20.785 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.247 -20.707 -2.960 1.00 0.00 H new ATOM 357 N ARG A 23 -4.564 -18.861 -1.094 1.00 0.00 N ATOM 358 CA ARG A 23 -4.561 -17.400 -0.966 1.00 0.00 C ATOM 359 C ARG A 23 -3.259 -16.828 -0.402 1.00 0.00 C ATOM 360 O ARG A 23 -3.030 -15.630 -0.518 1.00 0.00 O ATOM 361 CB ARG A 23 -5.719 -16.966 -0.042 1.00 0.00 C ATOM 362 CG ARG A 23 -6.857 -17.949 0.197 1.00 0.00 C ATOM 363 CD ARG A 23 -7.705 -18.212 -1.038 1.00 0.00 C ATOM 364 NE ARG A 23 -9.079 -18.368 -0.565 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.805 -19.475 -0.471 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.538 -20.621 -1.029 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.875 -19.478 0.262 1.00 0.00 N ATOM 0 H ARG A 23 -5.051 -19.294 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.675 -17.008 -1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.293 -16.709 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.149 -16.053 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.442 -18.893 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.497 -17.565 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.628 -17.386 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.368 -19.109 -1.557 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.543 -17.510 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.701 -20.726 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.166 -21.413 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.153 -18.633 0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.438 -20.325 0.339 1.00 0.00 H new ATOM 381 N PHE A 24 -2.439 -17.677 0.199 1.00 0.00 N ATOM 382 CA PHE A 24 -1.087 -17.379 0.678 1.00 0.00 C ATOM 383 C PHE A 24 -0.033 -17.700 -0.393 1.00 0.00 C ATOM 384 O PHE A 24 0.777 -16.838 -0.753 1.00 0.00 O ATOM 385 CB PHE A 24 -0.849 -18.200 1.955 1.00 0.00 C ATOM 386 CG PHE A 24 0.561 -18.141 2.507 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.514 -19.066 2.051 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.924 -17.191 3.480 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.840 -18.989 2.495 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.240 -17.171 3.987 1.00 0.00 C ATOM 391 CZ PHE A 24 3.217 -18.022 3.440 1.00 0.00 C ATOM 0 H PHE A 24 -2.708 -18.645 0.378 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.995 -16.315 0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.538 -17.853 2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.099 -19.241 1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.223 -19.839 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.196 -16.478 3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.577 -19.678 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.497 -16.502 4.795 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.249 -17.932 3.745 1.00 0.00 H new ATOM 401 N TYR A 25 -0.061 -18.913 -0.965 1.00 0.00 N ATOM 402 CA TYR A 25 0.901 -19.288 -2.000 1.00 0.00 C ATOM 403 C TYR A 25 0.814 -18.384 -3.250 1.00 0.00 C ATOM 404 O TYR A 25 1.853 -18.129 -3.858 1.00 0.00 O ATOM 405 CB TYR A 25 0.839 -20.794 -2.304 1.00 0.00 C ATOM 406 CG TYR A 25 1.746 -21.645 -1.415 1.00 0.00 C ATOM 407 CD1 TYR A 25 1.342 -22.084 -0.133 1.00 0.00 C ATOM 408 CD2 TYR A 25 3.020 -22.020 -1.889 1.00 0.00 C ATOM 409 CE1 TYR A 25 2.171 -22.924 0.632 1.00 0.00 C ATOM 410 CE2 TYR A 25 3.852 -22.852 -1.115 1.00 0.00 C ATOM 411 CZ TYR A 25 3.422 -23.328 0.129 1.00 0.00 C ATOM 412 OH TYR A 25 4.234 -24.187 0.790 1.00 0.00 O ATOM 0 H TYR A 25 -0.734 -19.642 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 25 1.900 -19.105 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.190 -21.136 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.114 -20.956 -3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.387 -21.771 0.263 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.360 -21.667 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.847 -23.259 1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.830 -23.125 -1.484 1.00 0.00 H new ATOM 0 HH TYR A 25 4.142 -24.047 1.756 1.00 0.00 H new ATOM 422 N LYS A 26 -0.359 -17.811 -3.586 1.00 0.00 N ATOM 423 CA LYS A 26 -0.527 -16.839 -4.692 1.00 0.00 C ATOM 424 C LYS A 26 0.381 -15.595 -4.610 1.00 0.00 C ATOM 425 O LYS A 26 0.664 -15.009 -5.660 1.00 0.00 O ATOM 426 CB LYS A 26 -2.027 -16.512 -4.945 1.00 0.00 C ATOM 427 CG LYS A 26 -2.493 -15.050 -4.767 1.00 0.00 C ATOM 428 CD LYS A 26 -2.626 -14.724 -3.282 1.00 0.00 C ATOM 429 CE LYS A 26 -2.928 -13.257 -2.974 1.00 0.00 C ATOM 430 NZ LYS A 26 -2.831 -13.018 -1.520 1.00 0.00 N ATOM 0 H LYS A 26 -1.229 -18.011 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.160 -17.345 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.268 -16.817 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.621 -17.135 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.779 -14.372 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.449 -14.900 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.419 -15.341 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.701 -15.004 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.227 -12.613 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.927 -13.000 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.431 -12.209 -1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.150 -13.865 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.844 -12.811 -1.267 1.00 0.00 H new ATOM 444 N THR A 27 0.886 -15.232 -3.424 1.00 0.00 N ATOM 445 CA THR A 27 1.831 -14.115 -3.213 1.00 0.00 C ATOM 446 C THR A 27 3.194 -14.560 -2.668 1.00 0.00 C ATOM 447 O THR A 27 4.199 -14.020 -3.121 1.00 0.00 O ATOM 448 CB THR A 27 1.230 -12.950 -2.389 1.00 0.00 C ATOM 449 OG1 THR A 27 0.168 -13.322 -1.537 1.00 0.00 O ATOM 450 CG2 THR A 27 0.636 -11.905 -3.330 1.00 0.00 C ATOM 0 H THR A 27 0.646 -15.716 -2.559 1.00 0.00 H new ATOM 0 HA THR A 27 2.017 -13.721 -4.212 1.00 0.00 H new ATOM 0 HB THR A 27 2.062 -12.584 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.433 -14.101 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.214 -11.087 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.417 -11.518 -3.984 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.148 -12.362 -3.933 1.00 0.00 H new ATOM 458 N LEU A 28 3.298 -15.642 -1.880 1.00 0.00 N ATOM 459 CA LEU A 28 4.602 -16.244 -1.529 1.00 0.00 C ATOM 460 C LEU A 28 5.481 -16.521 -2.776 1.00 0.00 C ATOM 461 O LEU A 28 6.664 -16.178 -2.783 1.00 0.00 O ATOM 462 CB LEU A 28 4.364 -17.511 -0.689 1.00 0.00 C ATOM 463 CG LEU A 28 5.651 -18.325 -0.423 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.122 -18.219 1.019 1.00 0.00 C ATOM 465 CD2 LEU A 28 5.399 -19.772 -0.826 1.00 0.00 C ATOM 0 H LEU A 28 2.496 -16.121 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 28 5.167 -15.528 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.920 -17.227 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.641 -18.146 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 28 6.460 -17.909 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.029 -18.810 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.330 -17.176 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.345 -18.595 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.298 -20.362 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.575 -20.176 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.144 -19.816 -1.885 1.00 0.00 H new ATOM 477 N ARG A 29 4.910 -17.064 -3.862 1.00 0.00 N ATOM 478 CA ARG A 29 5.575 -17.247 -5.178 1.00 0.00 C ATOM 479 C ARG A 29 5.991 -15.951 -5.914 1.00 0.00 C ATOM 480 O ARG A 29 6.326 -16.005 -7.093 1.00 0.00 O ATOM 481 CB ARG A 29 4.758 -18.235 -6.034 1.00 0.00 C ATOM 482 CG ARG A 29 3.368 -17.722 -6.433 1.00 0.00 C ATOM 483 CD ARG A 29 3.299 -17.036 -7.807 1.00 0.00 C ATOM 484 NE ARG A 29 2.413 -15.860 -7.733 1.00 0.00 N ATOM 485 CZ ARG A 29 2.542 -14.695 -8.325 1.00 0.00 C ATOM 486 NH1 ARG A 29 3.452 -14.451 -9.228 1.00 0.00 N ATOM 487 NH2 ARG A 29 1.737 -13.740 -7.969 1.00 0.00 N ATOM 0 H ARG A 29 3.947 -17.400 -3.857 1.00 0.00 H new ATOM 0 HA ARG A 29 6.552 -17.688 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.321 -18.466 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.644 -19.168 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.672 -18.561 -6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.025 -17.018 -5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.297 -16.732 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.928 -17.736 -8.555 1.00 0.00 H new ATOM 0 HE ARG A 29 1.588 -15.966 -7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.106 -15.184 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.509 -13.528 -9.658 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.033 -13.908 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.809 -12.822 -8.408 1.00 0.00 H new ATOM 501 N ALA A 30 5.957 -14.801 -5.241 1.00 0.00 N ATOM 502 CA ALA A 30 6.484 -13.517 -5.707 1.00 0.00 C ATOM 503 C ALA A 30 7.350 -12.782 -4.654 1.00 0.00 C ATOM 504 O ALA A 30 7.812 -11.676 -4.925 1.00 0.00 O ATOM 505 CB ALA A 30 5.300 -12.660 -6.178 1.00 0.00 C ATOM 0 H ALA A 30 5.542 -14.736 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 30 7.168 -13.703 -6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.666 -11.696 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.782 -13.170 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.611 -12.504 -5.348 1.00 0.00 H new ATOM 511 N GLU A 31 7.609 -13.392 -3.490 1.00 0.00 N ATOM 512 CA GLU A 31 8.385 -12.822 -2.395 1.00 0.00 C ATOM 513 C GLU A 31 9.416 -13.854 -1.892 1.00 0.00 C ATOM 514 O GLU A 31 10.578 -13.789 -2.284 1.00 0.00 O ATOM 515 CB GLU A 31 7.366 -12.353 -1.343 1.00 0.00 C ATOM 516 CG GLU A 31 8.008 -12.055 0.003 1.00 0.00 C ATOM 517 CD GLU A 31 7.037 -11.291 0.897 1.00 0.00 C ATOM 518 OE1 GLU A 31 6.058 -11.909 1.385 1.00 0.00 O ATOM 519 OE2 GLU A 31 7.189 -10.050 0.974 1.00 0.00 O ATOM 0 H GLU A 31 7.268 -14.331 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 31 8.985 -11.962 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.861 -11.458 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.603 -13.120 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.302 -12.986 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.916 -11.470 -0.142 1.00 0.00 H new ATOM 526 N GLN A 32 9.001 -14.870 -1.123 1.00 0.00 N ATOM 527 CA GLN A 32 9.927 -15.900 -0.617 1.00 0.00 C ATOM 528 C GLN A 32 10.175 -17.039 -1.624 1.00 0.00 C ATOM 529 O GLN A 32 10.979 -17.936 -1.373 1.00 0.00 O ATOM 530 CB GLN A 32 9.402 -16.524 0.686 1.00 0.00 C ATOM 531 CG GLN A 32 8.832 -15.588 1.762 1.00 0.00 C ATOM 532 CD GLN A 32 9.830 -14.597 2.359 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.843 -14.252 1.775 1.00 0.00 O ATOM 534 NE2 GLN A 32 9.593 -14.099 3.546 1.00 0.00 N ATOM 0 H GLN A 32 8.031 -15.003 -0.836 1.00 0.00 H new ATOM 0 HA GLN A 32 10.869 -15.379 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.624 -17.240 0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.217 -17.090 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.002 -15.028 1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.421 -16.196 2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.752 -14.372 4.055 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.249 -13.438 3.962 1.00 0.00 H new ATOM 543 N ALA A 33 9.390 -17.073 -2.709 1.00 0.00 N ATOM 544 CA ALA A 33 9.320 -18.103 -3.755 1.00 0.00 C ATOM 545 C ALA A 33 9.359 -19.586 -3.295 1.00 0.00 C ATOM 546 O ALA A 33 9.545 -20.481 -4.113 1.00 0.00 O ATOM 547 CB ALA A 33 10.335 -17.748 -4.848 1.00 0.00 C ATOM 0 H ALA A 33 8.731 -16.316 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 33 8.309 -18.072 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.300 -18.501 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.091 -16.772 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.337 -17.719 -4.419 1.00 0.00 H new ATOM 553 N SER A 34 9.123 -19.867 -2.007 1.00 0.00 N ATOM 554 CA SER A 34 9.333 -21.161 -1.329 1.00 0.00 C ATOM 555 C SER A 34 8.282 -22.249 -1.641 1.00 0.00 C ATOM 556 O SER A 34 7.797 -22.938 -0.746 1.00 0.00 O ATOM 557 CB SER A 34 9.448 -20.907 0.180 1.00 0.00 C ATOM 558 OG SER A 34 10.551 -20.063 0.469 1.00 0.00 O ATOM 0 H SER A 34 8.759 -19.159 -1.370 1.00 0.00 H new ATOM 0 HA SER A 34 10.258 -21.579 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.529 -20.450 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.563 -21.855 0.705 1.00 0.00 H new ATOM 0 HG SER A 34 10.562 -19.312 -0.160 1.00 0.00 H new ATOM 564 N GLN A 35 7.895 -22.390 -2.911 1.00 0.00 N ATOM 565 CA GLN A 35 7.007 -23.416 -3.476 1.00 0.00 C ATOM 566 C GLN A 35 7.652 -24.821 -3.491 1.00 0.00 C ATOM 567 O GLN A 35 7.847 -25.433 -4.541 1.00 0.00 O ATOM 568 CB GLN A 35 6.593 -22.928 -4.874 1.00 0.00 C ATOM 569 CG GLN A 35 5.471 -23.773 -5.495 1.00 0.00 C ATOM 570 CD GLN A 35 5.716 -24.063 -6.966 1.00 0.00 C ATOM 571 OE1 GLN A 35 5.039 -23.546 -7.838 1.00 0.00 O ATOM 572 NE2 GLN A 35 6.691 -24.882 -7.293 1.00 0.00 N ATOM 0 H GLN A 35 8.218 -21.741 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 35 6.124 -23.541 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.266 -21.890 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.462 -22.947 -5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.384 -24.713 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.521 -23.251 -5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.259 -25.316 -6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.880 -25.084 -8.275 1.00 0.00 H new ATOM 581 N GLU A 36 8.033 -25.311 -2.315 1.00 0.00 N ATOM 582 CA GLU A 36 8.862 -26.498 -2.133 1.00 0.00 C ATOM 583 C GLU A 36 8.718 -27.058 -0.707 1.00 0.00 C ATOM 584 O GLU A 36 8.229 -26.376 0.182 1.00 0.00 O ATOM 585 CB GLU A 36 10.318 -26.040 -2.346 1.00 0.00 C ATOM 586 CG GLU A 36 11.250 -27.207 -2.649 1.00 0.00 C ATOM 587 CD GLU A 36 12.685 -26.919 -2.242 1.00 0.00 C ATOM 588 OE1 GLU A 36 13.320 -25.956 -2.725 1.00 0.00 O ATOM 589 OE2 GLU A 36 13.192 -27.667 -1.378 1.00 0.00 O ATOM 0 H GLU A 36 7.764 -24.877 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 36 8.565 -27.282 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.356 -25.325 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.668 -25.520 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.898 -28.096 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.215 -27.430 -3.715 1.00 0.00 H new ATOM 596 N VAL A 37 9.221 -28.267 -0.437 1.00 0.00 N ATOM 597 CA VAL A 37 9.414 -28.807 0.928 1.00 0.00 C ATOM 598 C VAL A 37 10.207 -27.844 1.829 1.00 0.00 C ATOM 599 O VAL A 37 10.002 -27.837 3.042 1.00 0.00 O ATOM 600 CB VAL A 37 10.086 -30.192 0.854 1.00 0.00 C ATOM 601 CG1 VAL A 37 10.668 -30.694 2.179 1.00 0.00 C ATOM 602 CG2 VAL A 37 9.051 -31.211 0.371 1.00 0.00 C ATOM 0 H VAL A 37 9.513 -28.915 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 37 8.432 -28.917 1.388 1.00 0.00 H new ATOM 0 HB VAL A 37 10.926 -30.083 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.120 -31.675 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.427 -29.995 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.872 -30.770 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.511 -32.197 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.216 -31.241 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.688 -30.921 -0.615 1.00 0.00 H new ATOM 612 N LYS A 38 11.068 -26.985 1.254 1.00 0.00 N ATOM 613 CA LYS A 38 11.690 -25.851 1.979 1.00 0.00 C ATOM 614 C LYS A 38 10.697 -24.846 2.604 1.00 0.00 C ATOM 615 O LYS A 38 11.127 -23.969 3.346 1.00 0.00 O ATOM 616 CB LYS A 38 12.682 -25.107 1.071 1.00 0.00 C ATOM 617 CG LYS A 38 14.085 -25.726 1.072 1.00 0.00 C ATOM 618 CD LYS A 38 15.018 -24.899 0.167 1.00 0.00 C ATOM 619 CE LYS A 38 16.151 -25.727 -0.450 1.00 0.00 C ATOM 620 NZ LYS A 38 15.625 -26.606 -1.520 1.00 0.00 N ATOM 0 H LYS A 38 11.354 -27.053 0.277 1.00 0.00 H new ATOM 0 HA LYS A 38 12.209 -26.311 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.296 -25.100 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.750 -24.068 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.479 -25.755 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.039 -26.756 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.431 -24.446 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.448 -24.083 0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.914 -25.064 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.631 -26.329 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.418 -27.045 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.030 -27.348 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.057 -26.042 -2.184 1.00 0.00 H new ATOM 634 N ASN A 39 9.384 -24.960 2.380 1.00 0.00 N ATOM 635 CA ASN A 39 8.382 -24.143 3.070 1.00 0.00 C ATOM 636 C ASN A 39 8.454 -24.217 4.611 1.00 0.00 C ATOM 637 O ASN A 39 7.999 -23.280 5.258 1.00 0.00 O ATOM 638 CB ASN A 39 6.977 -24.412 2.509 1.00 0.00 C ATOM 639 CG ASN A 39 6.085 -25.247 3.380 1.00 0.00 C ATOM 640 OD1 ASN A 39 4.893 -24.757 3.569 1.00 0.00 O flip ATOM 641 ND2 ASN A 39 6.411 -26.314 3.864 1.00 0.00 N flip ATOM 0 H ASN A 39 8.986 -25.622 1.714 1.00 0.00 H new ATOM 0 HA ASN A 39 8.627 -23.103 2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.487 -23.455 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.079 -24.906 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.349 -26.681 3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.746 -26.842 4.429 1.00 0.00 H new ATOM 648 N ALA A 40 9.075 -25.243 5.206 1.00 0.00 N ATOM 649 CA ALA A 40 9.407 -25.334 6.638 1.00 0.00 C ATOM 650 C ALA A 40 10.522 -24.355 7.113 1.00 0.00 C ATOM 651 O ALA A 40 11.339 -24.698 7.967 1.00 0.00 O ATOM 652 CB ALA A 40 9.736 -26.807 6.922 1.00 0.00 C ATOM 0 H ALA A 40 9.373 -26.067 4.684 1.00 0.00 H new ATOM 0 HA ALA A 40 8.549 -25.007 7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.990 -26.927 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.870 -27.425 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.582 -27.116 6.308 1.00 0.00 H new ATOM 658 N MET A 41 10.621 -23.168 6.497 1.00 0.00 N ATOM 659 CA MET A 41 11.684 -22.161 6.699 1.00 0.00 C ATOM 660 C MET A 41 11.208 -20.692 6.548 1.00 0.00 C ATOM 661 O MET A 41 12.034 -19.782 6.523 1.00 0.00 O ATOM 662 CB MET A 41 12.846 -22.413 5.712 1.00 0.00 C ATOM 663 CG MET A 41 13.386 -23.846 5.743 1.00 0.00 C ATOM 664 SD MET A 41 14.869 -24.135 4.742 1.00 0.00 S ATOM 665 CE MET A 41 15.080 -25.897 5.103 1.00 0.00 C ATOM 0 H MET A 41 9.930 -22.865 5.810 1.00 0.00 H new ATOM 0 HA MET A 41 12.008 -22.282 7.732 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.508 -22.184 4.701 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.659 -21.724 5.939 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.608 -24.111 6.777 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.600 -24.521 5.402 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.955 -26.275 4.573 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.218 -26.035 6.175 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.195 -26.444 4.778 1.00 0.00 H new ATOM 675 N THR A 42 9.900 -20.446 6.408 1.00 0.00 N ATOM 676 CA THR A 42 9.285 -19.121 6.124 1.00 0.00 C ATOM 677 C THR A 42 8.121 -18.832 7.079 1.00 0.00 C ATOM 678 O THR A 42 7.750 -19.685 7.873 1.00 0.00 O ATOM 679 CB THR A 42 8.800 -19.034 4.652 1.00 0.00 C ATOM 680 OG1 THR A 42 8.414 -20.289 4.130 1.00 0.00 O ATOM 681 CG2 THR A 42 9.932 -18.575 3.745 1.00 0.00 C ATOM 0 H THR A 42 9.204 -21.187 6.491 1.00 0.00 H new ATOM 0 HA THR A 42 10.055 -18.366 6.281 1.00 0.00 H new ATOM 0 HB THR A 42 7.957 -18.343 4.671 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.481 -20.247 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.575 -18.520 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.277 -17.591 4.063 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.757 -19.285 3.805 1.00 0.00 H new ATOM 689 N GLU A 43 7.500 -17.651 6.986 1.00 0.00 N ATOM 690 CA GLU A 43 6.229 -17.333 7.678 1.00 0.00 C ATOM 691 C GLU A 43 5.097 -18.315 7.349 1.00 0.00 C ATOM 692 O GLU A 43 4.116 -18.377 8.079 1.00 0.00 O ATOM 693 CB GLU A 43 5.752 -15.888 7.396 1.00 0.00 C ATOM 694 CG GLU A 43 5.772 -15.429 5.936 1.00 0.00 C ATOM 695 CD GLU A 43 7.181 -15.026 5.502 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.635 -13.921 5.857 1.00 0.00 O ATOM 697 OE2 GLU A 43 7.847 -15.881 4.877 1.00 0.00 O ATOM 0 H GLU A 43 7.861 -16.878 6.427 1.00 0.00 H new ATOM 0 HA GLU A 43 6.460 -17.430 8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.733 -15.787 7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.374 -15.205 7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.407 -16.231 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.094 -14.585 5.808 1.00 0.00 H new ATOM 704 N THR A 44 5.249 -19.079 6.266 1.00 0.00 N ATOM 705 CA THR A 44 4.370 -20.134 5.787 1.00 0.00 C ATOM 706 C THR A 44 3.742 -20.995 6.884 1.00 0.00 C ATOM 707 O THR A 44 4.367 -21.399 7.858 1.00 0.00 O ATOM 708 CB THR A 44 5.094 -20.982 4.738 1.00 0.00 C ATOM 709 OG1 THR A 44 5.734 -20.183 3.765 1.00 0.00 O ATOM 710 CG2 THR A 44 4.076 -21.810 3.971 1.00 0.00 C ATOM 0 H THR A 44 6.058 -18.962 5.655 1.00 0.00 H new ATOM 0 HA THR A 44 3.518 -19.634 5.325 1.00 0.00 H new ATOM 0 HB THR A 44 5.823 -21.589 5.275 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.109 -19.503 3.437 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.588 -22.415 3.223 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.543 -22.462 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.366 -21.147 3.477 1.00 0.00 H new ATOM 718 N LEU A 45 2.460 -21.292 6.664 1.00 0.00 N ATOM 719 CA LEU A 45 1.544 -21.820 7.664 1.00 0.00 C ATOM 720 C LEU A 45 0.819 -23.115 7.237 1.00 0.00 C ATOM 721 O LEU A 45 -0.063 -23.563 7.961 1.00 0.00 O ATOM 722 CB LEU A 45 0.487 -20.717 7.922 1.00 0.00 C ATOM 723 CG LEU A 45 0.984 -19.260 8.067 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.066 -18.247 7.609 1.00 0.00 C ATOM 725 CD2 LEU A 45 1.405 -18.988 9.508 1.00 0.00 C ATOM 0 H LEU A 45 2.021 -21.166 5.752 1.00 0.00 H new ATOM 0 HA LEU A 45 2.124 -22.082 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.233 -20.745 7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.054 -20.978 8.832 1.00 0.00 H new ATOM 0 HG LEU A 45 1.849 -19.140 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.326 -17.237 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.306 -18.421 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.967 -18.360 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.753 -17.959 9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.554 -19.142 10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.210 -19.669 9.787 1.00 0.00 H new ATOM 737 N LEU A 46 1.097 -23.634 6.031 1.00 0.00 N ATOM 738 CA LEU A 46 0.369 -24.694 5.298 1.00 0.00 C ATOM 739 C LEU A 46 1.057 -25.082 3.962 1.00 0.00 C ATOM 740 O LEU A 46 2.045 -24.449 3.597 1.00 0.00 O ATOM 741 CB LEU A 46 -1.101 -24.267 5.086 1.00 0.00 C ATOM 742 CG LEU A 46 -1.463 -22.817 4.666 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.311 -22.158 5.742 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.364 -21.843 4.196 1.00 0.00 C ATOM 0 H LEU A 46 1.899 -23.300 5.497 1.00 0.00 H new ATOM 0 HA LEU A 46 0.389 -25.596 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.520 -24.932 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.629 -24.470 6.018 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.000 -22.998 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.559 -21.141 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.229 -22.729 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.754 -22.130 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.812 -20.881 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.367 -21.707 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.132 -22.251 3.315 1.00 0.00 H new ATOM 756 N VAL A 47 0.578 -26.091 3.209 1.00 0.00 N ATOM 757 CA VAL A 47 1.178 -26.587 1.948 1.00 0.00 C ATOM 758 C VAL A 47 0.111 -26.850 0.881 1.00 0.00 C ATOM 759 O VAL A 47 -0.986 -27.337 1.154 1.00 0.00 O ATOM 760 CB VAL A 47 2.011 -27.866 2.185 1.00 0.00 C ATOM 761 CG1 VAL A 47 2.543 -28.525 0.908 1.00 0.00 C ATOM 762 CG2 VAL A 47 3.245 -27.524 3.013 1.00 0.00 C ATOM 0 H VAL A 47 -0.266 -26.603 3.468 1.00 0.00 H new ATOM 0 HA VAL A 47 1.841 -25.802 1.585 1.00 0.00 H new ATOM 0 HB VAL A 47 1.326 -28.556 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.116 -29.415 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.707 -28.806 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.186 -27.823 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.833 -28.427 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.850 -26.791 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.936 -27.109 3.973 1.00 0.00 H new ATOM 772 N GLN A 48 0.467 -26.497 -0.350 1.00 0.00 N ATOM 773 CA GLN A 48 -0.313 -26.671 -1.583 1.00 0.00 C ATOM 774 C GLN A 48 -0.853 -28.110 -1.714 1.00 0.00 C ATOM 775 O GLN A 48 -0.139 -29.052 -1.392 1.00 0.00 O ATOM 776 CB GLN A 48 0.596 -26.329 -2.777 1.00 0.00 C ATOM 777 CG GLN A 48 0.995 -24.845 -2.791 1.00 0.00 C ATOM 778 CD GLN A 48 2.154 -24.555 -3.744 1.00 0.00 C ATOM 779 OE1 GLN A 48 3.302 -24.893 -3.503 1.00 0.00 O ATOM 780 NE2 GLN A 48 1.899 -23.885 -4.848 1.00 0.00 N ATOM 0 H GLN A 48 1.367 -26.052 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.177 -26.007 -1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.494 -26.945 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.082 -26.575 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.133 -24.244 -3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.274 -24.538 -1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.944 -23.597 -5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.656 -23.654 -5.491 1.00 0.00 H new ATOM 789 N ASN A 49 -2.080 -28.308 -2.218 1.00 0.00 N ATOM 790 CA ASN A 49 -2.723 -29.622 -2.378 1.00 0.00 C ATOM 791 C ASN A 49 -2.715 -30.527 -1.113 1.00 0.00 C ATOM 792 O ASN A 49 -2.729 -31.748 -1.223 1.00 0.00 O ATOM 793 CB ASN A 49 -2.100 -30.258 -3.632 1.00 0.00 C ATOM 794 CG ASN A 49 -2.717 -31.584 -4.039 1.00 0.00 C ATOM 795 OD1 ASN A 49 -3.856 -31.658 -4.467 1.00 0.00 O ATOM 796 ND2 ASN A 49 -1.972 -32.658 -3.940 1.00 0.00 N ATOM 0 H ASN A 49 -2.669 -27.538 -2.534 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.797 -29.492 -2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.193 -29.558 -4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.034 -30.406 -3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.344 -33.565 -4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.020 -32.587 -3.581 1.00 0.00 H new ATOM 803 N ALA A 50 -2.687 -29.957 0.101 1.00 0.00 N ATOM 804 CA ALA A 50 -2.691 -30.729 1.354 1.00 0.00 C ATOM 805 C ALA A 50 -3.780 -31.834 1.424 1.00 0.00 C ATOM 806 O ALA A 50 -4.912 -31.667 0.951 1.00 0.00 O ATOM 807 CB ALA A 50 -2.767 -29.758 2.537 1.00 0.00 C ATOM 0 H ALA A 50 -2.661 -28.947 0.242 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.756 -31.287 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.771 -30.321 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.904 -29.093 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.681 -29.168 2.466 1.00 0.00 H new ATOM 813 N ASN A 51 -3.423 -32.932 2.099 1.00 0.00 N ATOM 814 CA ASN A 51 -4.078 -34.253 2.155 1.00 0.00 C ATOM 815 C ASN A 51 -5.356 -34.329 3.047 1.00 0.00 C ATOM 816 O ASN A 51 -5.916 -33.277 3.364 1.00 0.00 O ATOM 817 CB ASN A 51 -2.948 -35.222 2.562 1.00 0.00 C ATOM 818 CG ASN A 51 -2.585 -35.170 4.039 1.00 0.00 C ATOM 819 OD1 ASN A 51 -3.054 -34.339 4.805 1.00 0.00 O ATOM 820 ND2 ASN A 51 -1.784 -36.096 4.483 1.00 0.00 N ATOM 0 H ASN A 51 -2.584 -32.921 2.680 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.510 -34.518 1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.247 -36.239 2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.060 -34.995 1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.545 -36.131 5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.396 -36.786 3.840 1.00 0.00 H new ATOM 827 N PRO A 52 -5.933 -35.508 3.392 1.00 0.00 N ATOM 828 CA PRO A 52 -7.120 -35.542 4.246 1.00 0.00 C ATOM 829 C PRO A 52 -6.782 -35.487 5.745 1.00 0.00 C ATOM 830 O PRO A 52 -7.360 -34.668 6.463 1.00 0.00 O ATOM 831 CB PRO A 52 -7.842 -36.838 3.868 1.00 0.00 C ATOM 832 CG PRO A 52 -6.714 -37.787 3.465 1.00 0.00 C ATOM 833 CD PRO A 52 -5.611 -36.862 2.947 1.00 0.00 C ATOM 0 HA PRO A 52 -7.745 -34.663 4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.416 -37.234 4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.542 -36.680 3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.371 -38.380 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.039 -38.488 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.639 -37.171 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.553 -36.905 1.859 1.00 0.00 H new ATOM 841 N ASP A 53 -5.865 -36.327 6.235 1.00 0.00 N ATOM 842 CA ASP A 53 -5.649 -36.497 7.675 1.00 0.00 C ATOM 843 C ASP A 53 -4.943 -35.290 8.298 1.00 0.00 C ATOM 844 O ASP A 53 -5.472 -34.739 9.261 1.00 0.00 O ATOM 845 CB ASP A 53 -4.896 -37.806 7.972 1.00 0.00 C ATOM 846 CG ASP A 53 -3.431 -37.719 7.559 1.00 0.00 C ATOM 847 OD1 ASP A 53 -3.209 -37.400 6.370 1.00 0.00 O ATOM 848 OD2 ASP A 53 -2.550 -37.847 8.428 1.00 0.00 O ATOM 0 H ASP A 53 -5.258 -36.903 5.652 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.631 -36.563 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.961 -38.030 9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.375 -38.630 7.443 1.00 0.00 H new ATOM 853 N CYS A 54 -3.825 -34.806 7.733 1.00 0.00 N ATOM 854 CA CYS A 54 -3.063 -33.745 8.393 1.00 0.00 C ATOM 855 C CYS A 54 -3.921 -32.483 8.530 1.00 0.00 C ATOM 856 O CYS A 54 -4.028 -31.920 9.611 1.00 0.00 O ATOM 857 CB CYS A 54 -1.735 -33.450 7.685 1.00 0.00 C ATOM 858 SG CYS A 54 -0.365 -33.523 8.880 1.00 0.00 S ATOM 0 H CYS A 54 -3.440 -35.125 6.844 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.803 -34.098 9.391 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.571 -34.173 6.886 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.772 -32.465 7.221 1.00 0.00 H new ATOM 0 HG CYS A 54 0.507 -32.602 8.597 1.00 0.00 H new ATOM 864 N LYS A 55 -4.660 -32.086 7.488 1.00 0.00 N ATOM 865 CA LYS A 55 -5.673 -31.019 7.603 1.00 0.00 C ATOM 866 C LYS A 55 -6.630 -31.222 8.782 1.00 0.00 C ATOM 867 O LYS A 55 -6.802 -30.314 9.589 1.00 0.00 O ATOM 868 CB LYS A 55 -6.459 -30.965 6.297 1.00 0.00 C ATOM 869 CG LYS A 55 -5.922 -29.869 5.359 1.00 0.00 C ATOM 870 CD LYS A 55 -5.986 -30.224 3.873 1.00 0.00 C ATOM 871 CE LYS A 55 -7.380 -30.687 3.421 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.333 -31.225 2.042 1.00 0.00 N ATOM 0 H LYS A 55 -4.579 -32.485 6.553 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.153 -30.080 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.403 -31.932 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.511 -30.778 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.490 -28.954 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.887 -29.655 5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.691 -29.355 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.263 -31.012 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.753 -31.452 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.078 -29.851 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.076 -31.943 1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.487 -30.453 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.403 -31.657 1.870 1.00 0.00 H new ATOM 886 N THR A 56 -7.206 -32.417 8.893 1.00 0.00 N ATOM 887 CA THR A 56 -8.076 -32.838 10.005 1.00 0.00 C ATOM 888 C THR A 56 -7.358 -32.840 11.370 1.00 0.00 C ATOM 889 O THR A 56 -8.016 -32.780 12.407 1.00 0.00 O ATOM 890 CB THR A 56 -8.684 -34.220 9.688 1.00 0.00 C ATOM 891 OG1 THR A 56 -9.233 -34.203 8.384 1.00 0.00 O ATOM 892 CG2 THR A 56 -9.831 -34.633 10.609 1.00 0.00 C ATOM 0 H THR A 56 -7.080 -33.147 8.192 1.00 0.00 H new ATOM 0 HA THR A 56 -8.874 -32.101 10.096 1.00 0.00 H new ATOM 0 HB THR A 56 -7.861 -34.924 9.813 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.519 -34.341 7.727 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.198 -35.616 10.315 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.475 -34.672 11.638 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.639 -33.906 10.532 1.00 0.00 H new ATOM 900 N ILE A 57 -6.021 -32.845 11.374 1.00 0.00 N ATOM 901 CA ILE A 57 -5.153 -32.907 12.568 1.00 0.00 C ATOM 902 C ILE A 57 -4.655 -31.525 13.001 1.00 0.00 C ATOM 903 O ILE A 57 -4.971 -31.111 14.117 1.00 0.00 O ATOM 904 CB ILE A 57 -3.989 -33.886 12.302 1.00 0.00 C ATOM 905 CG1 ILE A 57 -4.521 -35.331 12.390 1.00 0.00 C ATOM 906 CG2 ILE A 57 -2.763 -33.688 13.211 1.00 0.00 C ATOM 907 CD1 ILE A 57 -3.636 -36.293 11.602 1.00 0.00 C ATOM 0 H ILE A 57 -5.484 -32.804 10.508 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.743 -33.279 13.405 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.619 -33.673 11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.563 -35.643 13.434 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.540 -35.371 12.004 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.997 -34.419 12.953 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.366 -32.682 13.073 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.056 -33.823 14.252 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.036 -37.304 11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.615 -35.993 10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.624 -36.270 12.006 1.00 0.00 H new ATOM 919 N LEU A 58 -3.947 -30.762 12.151 1.00 0.00 N ATOM 920 CA LEU A 58 -3.521 -29.391 12.469 1.00 0.00 C ATOM 921 C LEU A 58 -4.683 -28.487 12.862 1.00 0.00 C ATOM 922 O LEU A 58 -4.497 -27.540 13.622 1.00 0.00 O ATOM 923 CB LEU A 58 -2.782 -28.720 11.315 1.00 0.00 C ATOM 924 CG LEU A 58 -1.453 -29.402 10.974 1.00 0.00 C ATOM 925 CD1 LEU A 58 -1.578 -30.373 9.814 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.416 -28.340 10.653 1.00 0.00 C ATOM 0 H LEU A 58 -3.655 -31.079 11.226 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.847 -29.510 13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.421 -28.722 10.432 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.593 -27.677 11.570 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.145 -29.984 11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.608 -30.828 9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.299 -31.151 10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.917 -29.838 8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.532 -28.819 10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.753 -27.748 9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.282 -27.689 11.517 1.00 0.00 H new ATOM 938 N LYS A 59 -5.885 -28.834 12.398 1.00 0.00 N ATOM 939 CA LYS A 59 -7.160 -28.265 12.884 1.00 0.00 C ATOM 940 C LYS A 59 -7.154 -28.010 14.404 1.00 0.00 C ATOM 941 O LYS A 59 -7.518 -26.931 14.874 1.00 0.00 O ATOM 942 CB LYS A 59 -8.300 -29.210 12.490 1.00 0.00 C ATOM 943 CG LYS A 59 -8.929 -28.860 11.131 1.00 0.00 C ATOM 944 CD LYS A 59 -10.116 -27.905 11.282 1.00 0.00 C ATOM 945 CE LYS A 59 -11.324 -28.599 11.936 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.150 -27.620 12.673 1.00 0.00 N ATOM 0 H LYS A 59 -6.010 -29.529 11.662 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.303 -27.290 12.417 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.922 -30.232 12.457 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.071 -29.180 13.260 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.176 -28.404 10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.259 -29.774 10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.819 -27.047 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.402 -27.522 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.927 -29.089 11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.979 -29.377 12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.996 -28.093 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.597 -27.221 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.439 -26.856 12.030 1.00 0.00 H new ATOM 960 N ALA A 60 -6.642 -28.980 15.156 1.00 0.00 N ATOM 961 CA ALA A 60 -6.313 -28.844 16.577 1.00 0.00 C ATOM 962 C ALA A 60 -4.808 -28.571 16.805 1.00 0.00 C ATOM 963 O ALA A 60 -4.437 -27.839 17.721 1.00 0.00 O ATOM 964 CB ALA A 60 -6.755 -30.130 17.285 1.00 0.00 C ATOM 0 H ALA A 60 -6.438 -29.909 14.787 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.838 -27.982 16.989 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.523 -30.059 18.348 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.829 -30.265 17.157 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.228 -30.982 16.855 1.00 0.00 H new ATOM 970 N LEU A 61 -3.940 -29.110 15.946 1.00 0.00 N ATOM 971 CA LEU A 61 -2.485 -29.146 16.098 1.00 0.00 C ATOM 972 C LEU A 61 -1.786 -27.978 15.373 1.00 0.00 C ATOM 973 O LEU A 61 -0.707 -28.115 14.798 1.00 0.00 O ATOM 974 CB LEU A 61 -1.976 -30.564 15.741 1.00 0.00 C ATOM 975 CG LEU A 61 -1.140 -31.180 16.881 1.00 0.00 C ATOM 976 CD1 LEU A 61 -0.986 -32.689 16.718 1.00 0.00 C ATOM 977 CD2 LEU A 61 0.252 -30.553 16.955 1.00 0.00 C ATOM 0 H LEU A 61 -4.249 -29.555 15.082 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.210 -28.973 17.139 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.826 -31.211 15.524 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.373 -30.515 14.834 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.683 -30.973 17.803 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.391 -33.085 17.541 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.970 -33.158 16.723 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.487 -32.904 15.773 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.814 -31.010 17.769 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.776 -30.719 16.014 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.160 -29.482 17.135 1.00 0.00 H new ATOM 989 N GLY A 62 -2.375 -26.784 15.477 1.00 0.00 N ATOM 990 CA GLY A 62 -1.774 -25.515 15.062 1.00 0.00 C ATOM 991 C GLY A 62 -1.445 -24.584 16.235 1.00 0.00 C ATOM 992 O GLY A 62 -1.812 -23.413 16.151 1.00 0.00 O ATOM 0 H GLY A 62 -3.312 -26.671 15.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.861 -25.720 14.503 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.456 -25.004 14.382 1.00 0.00 H new ATOM 996 N PRO A 63 -0.770 -25.033 17.322 1.00 0.00 N ATOM 997 CA PRO A 63 -0.479 -24.216 18.508 1.00 0.00 C ATOM 998 C PRO A 63 0.707 -23.254 18.297 1.00 0.00 C ATOM 999 O PRO A 63 1.472 -23.002 19.221 1.00 0.00 O ATOM 1000 CB PRO A 63 -0.197 -25.248 19.611 1.00 0.00 C ATOM 1001 CG PRO A 63 0.582 -26.312 18.845 1.00 0.00 C ATOM 1002 CD PRO A 63 -0.190 -26.360 17.528 1.00 0.00 C ATOM 0 HA PRO A 63 -1.308 -23.553 18.756 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.385 -24.824 20.429 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.115 -25.645 20.045 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.625 -26.032 18.700 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.578 -27.273 19.359 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.472 -26.624 16.703 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.970 -27.120 17.566 1.00 0.00 H new ATOM 1010 N ALA A 64 0.896 -22.777 17.062 1.00 0.00 N ATOM 1011 CA ALA A 64 2.037 -21.948 16.643 1.00 0.00 C ATOM 1012 C ALA A 64 3.435 -22.536 16.981 1.00 0.00 C ATOM 1013 O ALA A 64 4.373 -21.787 17.233 1.00 0.00 O ATOM 1014 CB ALA A 64 1.816 -20.514 17.157 1.00 0.00 C ATOM 0 H ALA A 64 0.241 -22.961 16.302 1.00 0.00 H new ATOM 0 HA ALA A 64 2.062 -21.935 15.553 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.654 -19.886 16.855 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.893 -20.115 16.736 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.744 -20.524 18.245 1.00 0.00 H new ATOM 1020 N ALA A 65 3.570 -23.871 16.985 1.00 0.00 N ATOM 1021 CA ALA A 65 4.856 -24.575 17.087 1.00 0.00 C ATOM 1022 C ALA A 65 4.852 -25.860 16.240 1.00 0.00 C ATOM 1023 O ALA A 65 5.249 -25.824 15.087 1.00 0.00 O ATOM 1024 CB ALA A 65 5.169 -24.829 18.570 1.00 0.00 C ATOM 0 H ALA A 65 2.772 -24.503 16.916 1.00 0.00 H new ATOM 0 HA ALA A 65 5.655 -23.957 16.678 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.122 -25.351 18.656 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.228 -23.877 19.098 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.380 -25.439 19.009 1.00 0.00 H new ATOM 1030 N THR A 66 4.305 -26.986 16.717 1.00 0.00 N ATOM 1031 CA THR A 66 4.380 -28.294 16.012 1.00 0.00 C ATOM 1032 C THR A 66 3.839 -28.299 14.569 1.00 0.00 C ATOM 1033 O THR A 66 4.157 -29.176 13.776 1.00 0.00 O ATOM 1034 CB THR A 66 3.654 -29.390 16.807 1.00 0.00 C ATOM 1035 OG1 THR A 66 3.674 -29.129 18.197 1.00 0.00 O ATOM 1036 CG2 THR A 66 4.269 -30.772 16.601 1.00 0.00 C ATOM 0 H THR A 66 3.797 -27.027 17.600 1.00 0.00 H new ATOM 0 HA THR A 66 5.450 -28.493 15.945 1.00 0.00 H new ATOM 0 HB THR A 66 2.632 -29.382 16.428 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.202 -29.845 18.671 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.716 -31.507 17.186 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.221 -31.038 15.545 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.310 -30.759 16.925 1.00 0.00 H new ATOM 1044 N LEU A 67 3.049 -27.295 14.191 1.00 0.00 N ATOM 1045 CA LEU A 67 2.646 -27.056 12.804 1.00 0.00 C ATOM 1046 C LEU A 67 3.830 -27.112 11.837 1.00 0.00 C ATOM 1047 O LEU A 67 3.729 -27.768 10.812 1.00 0.00 O ATOM 1048 CB LEU A 67 1.954 -25.698 12.762 1.00 0.00 C ATOM 1049 CG LEU A 67 1.163 -25.264 11.502 1.00 0.00 C ATOM 1050 CD1 LEU A 67 1.053 -23.741 11.540 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.792 -25.652 10.182 1.00 0.00 C ATOM 0 H LEU A 67 2.665 -26.615 14.847 1.00 0.00 H new ATOM 0 HA LEU A 67 1.967 -27.843 12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.264 -25.661 13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.717 -24.941 12.941 1.00 0.00 H new ATOM 0 HG LEU A 67 0.204 -25.781 11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.501 -23.394 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.528 -23.437 12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.051 -23.304 11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.163 -25.304 9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.779 -25.196 10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.888 -26.736 10.130 1.00 0.00 H new ATOM 1063 N GLU A 68 4.941 -26.469 12.171 1.00 0.00 N ATOM 1064 CA GLU A 68 6.175 -26.448 11.371 1.00 0.00 C ATOM 1065 C GLU A 68 6.548 -27.786 10.716 1.00 0.00 C ATOM 1066 O GLU A 68 6.910 -27.807 9.541 1.00 0.00 O ATOM 1067 CB GLU A 68 7.343 -26.008 12.270 1.00 0.00 C ATOM 1068 CG GLU A 68 7.119 -24.609 12.832 1.00 0.00 C ATOM 1069 CD GLU A 68 8.173 -24.233 13.889 1.00 0.00 C ATOM 1070 OE1 GLU A 68 9.377 -24.444 13.620 1.00 0.00 O ATOM 1071 OE2 GLU A 68 7.767 -23.760 14.977 1.00 0.00 O ATOM 0 H GLU A 68 5.019 -25.928 13.032 1.00 0.00 H new ATOM 0 HA GLU A 68 5.985 -25.751 10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.459 -26.716 13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.271 -26.027 11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.147 -23.884 12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.125 -24.552 13.276 1.00 0.00 H new ATOM 1078 N GLU A 69 6.393 -28.896 11.441 1.00 0.00 N ATOM 1079 CA GLU A 69 6.515 -30.250 10.855 1.00 0.00 C ATOM 1080 C GLU A 69 5.253 -30.751 10.127 1.00 0.00 C ATOM 1081 O GLU A 69 5.324 -31.359 9.052 1.00 0.00 O ATOM 1082 CB GLU A 69 6.921 -31.283 11.918 1.00 0.00 C ATOM 1083 CG GLU A 69 5.958 -31.444 13.104 1.00 0.00 C ATOM 1084 CD GLU A 69 6.043 -32.817 13.775 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.169 -33.344 13.913 1.00 0.00 O ATOM 1086 OE2 GLU A 69 4.959 -33.319 14.149 1.00 0.00 O ATOM 0 H GLU A 69 6.182 -28.893 12.439 1.00 0.00 H new ATOM 0 HA GLU A 69 7.296 -30.149 10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.031 -32.252 11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.902 -31.009 12.307 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.172 -30.673 13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.937 -31.279 12.759 1.00 0.00 H new ATOM 1093 N MET A 70 4.081 -30.490 10.712 1.00 0.00 N ATOM 1094 CA MET A 70 2.774 -30.973 10.247 1.00 0.00 C ATOM 1095 C MET A 70 2.422 -30.439 8.851 1.00 0.00 C ATOM 1096 O MET A 70 1.781 -31.106 8.030 1.00 0.00 O ATOM 1097 CB MET A 70 1.728 -30.536 11.247 1.00 0.00 C ATOM 1098 CG MET A 70 1.897 -30.945 12.695 1.00 0.00 C ATOM 1099 SD MET A 70 0.676 -32.129 13.314 1.00 0.00 S ATOM 1100 CE MET A 70 1.401 -33.658 12.666 1.00 0.00 C ATOM 0 H MET A 70 4.012 -29.916 11.552 1.00 0.00 H new ATOM 0 HA MET A 70 2.809 -32.060 10.169 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.672 -29.448 11.214 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.765 -30.915 10.906 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.891 -31.375 12.820 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.857 -30.049 13.315 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.778 -34.506 12.951 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.460 -33.601 11.579 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.402 -33.789 13.077 1.00 0.00 H new ATOM 1110 N MET A 71 2.919 -29.226 8.606 1.00 0.00 N ATOM 1111 CA MET A 71 2.904 -28.433 7.383 1.00 0.00 C ATOM 1112 C MET A 71 3.327 -29.272 6.193 1.00 0.00 C ATOM 1113 O MET A 71 2.581 -29.362 5.228 1.00 0.00 O ATOM 1114 CB MET A 71 3.848 -27.225 7.555 1.00 0.00 C ATOM 1115 CG MET A 71 3.820 -26.246 6.374 1.00 0.00 C ATOM 1116 SD MET A 71 4.131 -24.530 6.838 1.00 0.00 S ATOM 1117 CE MET A 71 5.847 -24.655 7.391 1.00 0.00 C ATOM 0 H MET A 71 3.398 -28.719 9.351 1.00 0.00 H new ATOM 0 HA MET A 71 1.890 -28.079 7.197 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.577 -26.690 8.465 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.867 -27.588 7.690 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.566 -26.555 5.641 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.848 -26.309 5.885 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.372 -23.728 7.160 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.871 -24.827 8.467 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.334 -25.485 6.880 1.00 0.00 H new ATOM 1127 N THR A 72 4.472 -29.938 6.266 1.00 0.00 N ATOM 1128 CA THR A 72 4.976 -30.799 5.205 1.00 0.00 C ATOM 1129 C THR A 72 4.581 -32.254 5.390 1.00 0.00 C ATOM 1130 O THR A 72 4.468 -32.947 4.383 1.00 0.00 O ATOM 1131 CB THR A 72 6.503 -30.753 5.130 1.00 0.00 C ATOM 1132 OG1 THR A 72 7.079 -30.077 6.230 1.00 0.00 O ATOM 1133 CG2 THR A 72 6.962 -30.060 3.848 1.00 0.00 C ATOM 0 H THR A 72 5.087 -29.894 7.079 1.00 0.00 H new ATOM 0 HA THR A 72 4.528 -30.414 4.289 1.00 0.00 H new ATOM 0 HB THR A 72 6.837 -31.790 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.055 -30.075 6.138 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.051 -30.039 3.816 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.584 -30.606 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.578 -29.040 3.828 1.00 0.00 H new ATOM 1141 N ALA A 73 4.336 -32.742 6.611 1.00 0.00 N ATOM 1142 CA ALA A 73 3.909 -34.133 6.823 1.00 0.00 C ATOM 1143 C ALA A 73 2.663 -34.490 5.983 1.00 0.00 C ATOM 1144 O ALA A 73 2.528 -35.605 5.477 1.00 0.00 O ATOM 1145 CB ALA A 73 3.669 -34.351 8.319 1.00 0.00 C ATOM 0 H ALA A 73 4.425 -32.196 7.468 1.00 0.00 H new ATOM 0 HA ALA A 73 4.698 -34.804 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.351 -35.380 8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.592 -34.160 8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.893 -33.669 8.666 1.00 0.00 H new ATOM 1151 N CYS A 74 1.825 -33.478 5.734 1.00 0.00 N ATOM 1152 CA CYS A 74 0.615 -33.531 4.917 1.00 0.00 C ATOM 1153 C CYS A 74 0.825 -33.777 3.408 1.00 0.00 C ATOM 1154 O CYS A 74 -0.152 -33.752 2.661 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.215 -32.263 5.203 1.00 0.00 C ATOM 1156 SG CYS A 74 0.165 -30.858 4.115 1.00 0.00 S ATOM 0 H CYS A 74 1.985 -32.548 6.121 1.00 0.00 H new ATOM 0 HA CYS A 74 0.069 -34.426 5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.273 -32.506 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.051 -31.961 6.237 1.00 0.00 H new ATOM 0 HG CYS A 74 1.152 -30.176 4.616 1.00 0.00 H new ATOM 1162 N GLN A 75 2.062 -34.006 2.948 1.00 0.00 N ATOM 1163 CA GLN A 75 2.369 -34.432 1.580 1.00 0.00 C ATOM 1164 C GLN A 75 2.855 -35.889 1.492 1.00 0.00 C ATOM 1165 O GLN A 75 2.763 -36.506 0.433 1.00 0.00 O ATOM 1166 CB GLN A 75 3.395 -33.450 0.990 1.00 0.00 C ATOM 1167 CG GLN A 75 4.878 -33.753 1.299 1.00 0.00 C ATOM 1168 CD GLN A 75 5.505 -34.851 0.442 1.00 0.00 C ATOM 1169 OE1 GLN A 75 6.159 -35.759 0.925 1.00 0.00 O ATOM 1170 NE2 GLN A 75 5.322 -34.831 -0.859 1.00 0.00 N ATOM 0 H GLN A 75 2.893 -33.898 3.530 1.00 0.00 H new ATOM 0 HA GLN A 75 1.450 -34.411 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.267 -33.429 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.165 -32.450 1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.455 -32.837 1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.964 -34.038 2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.778 -34.081 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.724 -35.565 -1.442 1.00 0.00 H new