USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 818 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 SER OG : rot 120:sc= 0.307 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 16:sc= 0.945 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 9 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 16 CYS SG : rot 81:sc= 0.213 USER MOD Single : A 17 GLN : amide:sc= -0.0184 K(o=-0.018,f=-0.93) USER MOD Single : A 19 GLN : amide:sc= -0.574 K(o=-0.57,f=-2!) USER MOD Single : A 20 THR OG1 : rot -49:sc= 0.634 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.237 USER MOD Single : A 27 HIS : no HE2:sc= -0.109 K(o=-0.11,f=-3.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 56:sc= -5.77! USER MOD Single : A 46 TYR OH : rot 103:sc= 1.19 USER MOD Single : A 49 GLN : amide:sc= -0.595 K(o=-0.6,f=-2.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 67 THR OG1 : rot -110:sc= -1.09 USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.254) USER MOD Single : A 76 ASN : amide:sc= 0.0655 X(o=0.065,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 30:sc= -1.49! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -2.97! K(o=-3!,f=-1.3) USER MOD Single : A 106 HIS : no HD1:sc= -4.1 X(o=-4.1,f=-3.9!) USER MOD Single : A 107 SER OG : rot 79:sc= 0.942 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.956 -28.514 1.876 1.00 0.00 N ATOM 2 CA GLY A 1 5.420 -27.534 0.950 1.00 0.00 C ATOM 3 C GLY A 1 3.936 -27.721 0.702 1.00 0.00 C ATOM 4 O GLY A 1 3.112 -27.405 1.560 1.00 0.00 O ATOM 0 H1 GLY A 1 6.973 -28.343 2.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.466 -28.433 2.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.814 -29.470 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.596 -26.533 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.955 -27.603 0.003 1.00 0.00 H new ATOM 8 N SER A 2 3.595 -28.236 -0.475 1.00 0.00 N ATOM 9 CA SER A 2 2.200 -28.459 -0.837 1.00 0.00 C ATOM 10 C SER A 2 1.414 -27.152 -0.801 1.00 0.00 C ATOM 11 O SER A 2 0.287 -27.107 -0.305 1.00 0.00 O ATOM 12 CB SER A 2 1.563 -29.477 0.111 1.00 0.00 C ATOM 13 OG SER A 2 1.924 -30.800 -0.244 1.00 0.00 O ATOM 0 H SER A 2 4.266 -28.507 -1.194 1.00 0.00 H new ATOM 0 HA SER A 2 2.172 -28.852 -1.853 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.879 -29.273 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.478 -29.373 0.085 1.00 0.00 H new ATOM 0 HG SER A 2 1.506 -31.431 0.378 1.00 0.00 H new ATOM 19 N SER A 3 2.015 -26.092 -1.329 1.00 0.00 N ATOM 20 CA SER A 3 1.375 -24.782 -1.355 1.00 0.00 C ATOM 21 C SER A 3 1.633 -24.077 -2.682 1.00 0.00 C ATOM 22 O SER A 3 2.778 -23.804 -3.041 1.00 0.00 O ATOM 23 CB SER A 3 1.882 -23.919 -0.198 1.00 0.00 C ATOM 24 OG SER A 3 3.205 -23.472 -0.438 1.00 0.00 O ATOM 0 H SER A 3 2.946 -26.114 -1.745 1.00 0.00 H new ATOM 0 HA SER A 3 0.301 -24.929 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.223 -23.061 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.851 -24.492 0.729 1.00 0.00 H new ATOM 0 HG SER A 3 3.421 -23.584 -1.387 1.00 0.00 H new ATOM 30 N GLY A 4 0.559 -23.785 -3.410 1.00 0.00 N ATOM 31 CA GLY A 4 0.689 -23.113 -4.690 1.00 0.00 C ATOM 32 C GLY A 4 -0.618 -23.067 -5.456 1.00 0.00 C ATOM 33 O GLY A 4 -0.921 -23.970 -6.234 1.00 0.00 O ATOM 0 H GLY A 4 -0.399 -24.002 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.048 -22.097 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.441 -23.625 -5.291 1.00 0.00 H new ATOM 37 N SER A 5 -1.395 -22.010 -5.235 1.00 0.00 N ATOM 38 CA SER A 5 -2.679 -21.852 -5.907 1.00 0.00 C ATOM 39 C SER A 5 -2.571 -20.853 -7.055 1.00 0.00 C ATOM 40 O SER A 5 -1.932 -19.809 -6.926 1.00 0.00 O ATOM 41 CB SER A 5 -3.744 -21.390 -4.912 1.00 0.00 C ATOM 42 OG SER A 5 -3.995 -22.384 -3.933 1.00 0.00 O ATOM 0 H SER A 5 -1.157 -21.251 -4.596 1.00 0.00 H new ATOM 0 HA SER A 5 -2.970 -22.819 -6.317 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.417 -20.471 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.667 -21.158 -5.444 1.00 0.00 H new ATOM 0 HG SER A 5 -4.678 -22.063 -3.308 1.00 0.00 H new ATOM 48 N SER A 6 -3.202 -21.183 -8.177 1.00 0.00 N ATOM 49 CA SER A 6 -3.175 -20.318 -9.352 1.00 0.00 C ATOM 50 C SER A 6 -4.347 -19.341 -9.334 1.00 0.00 C ATOM 51 O SER A 6 -5.464 -19.701 -8.961 1.00 0.00 O ATOM 52 CB SER A 6 -3.215 -21.157 -10.630 1.00 0.00 C ATOM 53 OG SER A 6 -4.447 -21.846 -10.750 1.00 0.00 O ATOM 0 H SER A 6 -3.738 -22.042 -8.298 1.00 0.00 H new ATOM 0 HA SER A 6 -2.247 -19.746 -9.331 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.070 -20.512 -11.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.393 -21.873 -10.624 1.00 0.00 H new ATOM 0 HG SER A 6 -4.448 -22.373 -11.576 1.00 0.00 H new ATOM 59 N GLY A 7 -4.084 -18.103 -9.739 1.00 0.00 N ATOM 60 CA GLY A 7 -5.126 -17.093 -9.762 1.00 0.00 C ATOM 61 C GLY A 7 -5.647 -16.766 -8.376 1.00 0.00 C ATOM 62 O GLY A 7 -6.665 -17.307 -7.944 1.00 0.00 O ATOM 0 H GLY A 7 -3.168 -17.781 -10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.738 -16.185 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.951 -17.440 -10.384 1.00 0.00 H new ATOM 66 N THR A 8 -4.947 -15.879 -7.677 1.00 0.00 N ATOM 67 CA THR A 8 -5.343 -15.482 -6.331 1.00 0.00 C ATOM 68 C THR A 8 -4.576 -14.247 -5.874 1.00 0.00 C ATOM 69 O THR A 8 -3.467 -13.986 -6.341 1.00 0.00 O ATOM 70 CB THR A 8 -5.111 -16.620 -5.319 1.00 0.00 C ATOM 71 OG1 THR A 8 -5.532 -16.208 -4.014 1.00 0.00 O ATOM 72 CG2 THR A 8 -3.644 -17.021 -5.282 1.00 0.00 C ATOM 0 H THR A 8 -4.103 -15.421 -8.020 1.00 0.00 H new ATOM 0 HA THR A 8 -6.408 -15.251 -6.370 1.00 0.00 H new ATOM 0 HB THR A 8 -5.698 -17.482 -5.634 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.383 -16.937 -3.377 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.505 -17.826 -4.560 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.335 -17.362 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.039 -16.163 -4.989 1.00 0.00 H new ATOM 80 N GLN A 9 -5.172 -13.490 -4.958 1.00 0.00 N ATOM 81 CA GLN A 9 -4.544 -12.282 -4.437 1.00 0.00 C ATOM 82 C GLN A 9 -3.656 -12.603 -3.240 1.00 0.00 C ATOM 83 O GLN A 9 -3.377 -11.736 -2.412 1.00 0.00 O ATOM 84 CB GLN A 9 -5.608 -11.259 -4.039 1.00 0.00 C ATOM 85 CG GLN A 9 -6.345 -10.655 -5.224 1.00 0.00 C ATOM 86 CD GLN A 9 -7.201 -11.668 -5.956 1.00 0.00 C ATOM 87 OE1 GLN A 9 -6.786 -12.234 -6.968 1.00 0.00 O ATOM 88 NE2 GLN A 9 -8.406 -11.904 -5.448 1.00 0.00 N ATOM 0 H GLN A 9 -6.090 -13.692 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.921 -11.858 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.331 -11.737 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.136 -10.459 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.975 -9.836 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.621 -10.228 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.710 -11.413 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.027 -12.576 -5.899 1.00 0.00 H new ATOM 97 N GLU A 10 -3.216 -13.854 -3.154 1.00 0.00 N ATOM 98 CA GLU A 10 -2.361 -14.289 -2.055 1.00 0.00 C ATOM 99 C GLU A 10 -1.012 -13.577 -2.101 1.00 0.00 C ATOM 100 O GLU A 10 -0.619 -12.907 -1.147 1.00 0.00 O ATOM 101 CB GLU A 10 -2.152 -15.803 -2.110 1.00 0.00 C ATOM 102 CG GLU A 10 -1.166 -16.320 -1.077 1.00 0.00 C ATOM 103 CD GLU A 10 -1.800 -16.524 0.285 1.00 0.00 C ATOM 104 OE1 GLU A 10 -2.959 -16.985 0.337 1.00 0.00 O ATOM 105 OE2 GLU A 10 -1.136 -16.223 1.299 1.00 0.00 O ATOM 0 H GLU A 10 -3.437 -14.584 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.857 -14.032 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.112 -16.299 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.800 -16.077 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.745 -17.264 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.338 -15.617 -0.986 1.00 0.00 H new ATOM 112 N GLU A 11 -0.307 -13.727 -3.218 1.00 0.00 N ATOM 113 CA GLU A 11 0.998 -13.100 -3.388 1.00 0.00 C ATOM 114 C GLU A 11 0.947 -11.625 -3.001 1.00 0.00 C ATOM 115 O GLU A 11 1.833 -11.122 -2.309 1.00 0.00 O ATOM 116 CB GLU A 11 1.472 -13.243 -4.836 1.00 0.00 C ATOM 117 CG GLU A 11 1.757 -14.678 -5.245 1.00 0.00 C ATOM 118 CD GLU A 11 2.487 -15.457 -4.168 1.00 0.00 C ATOM 119 OE1 GLU A 11 3.606 -15.048 -3.794 1.00 0.00 O ATOM 120 OE2 GLU A 11 1.938 -16.477 -3.700 1.00 0.00 O ATOM 0 H GLU A 11 -0.618 -14.277 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 11 1.705 -13.606 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.713 -12.829 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.375 -12.649 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.817 -15.179 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.353 -14.680 -6.157 1.00 0.00 H new ATOM 127 N LEU A 12 -0.095 -10.937 -3.452 1.00 0.00 N ATOM 128 CA LEU A 12 -0.263 -9.519 -3.154 1.00 0.00 C ATOM 129 C LEU A 12 -0.391 -9.290 -1.651 1.00 0.00 C ATOM 130 O LEU A 12 0.322 -8.467 -1.074 1.00 0.00 O ATOM 131 CB LEU A 12 -1.496 -8.968 -3.872 1.00 0.00 C ATOM 132 CG LEU A 12 -1.785 -7.481 -3.667 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.638 -6.636 -4.198 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.093 -7.093 -4.341 1.00 0.00 C ATOM 0 H LEU A 12 -0.837 -11.338 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 12 0.622 -8.992 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.381 -9.151 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.367 -9.535 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.882 -7.294 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.862 -5.580 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.279 -6.894 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.508 -6.827 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.282 -6.031 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.026 -7.296 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.910 -7.674 -3.912 1.00 0.00 H new ATOM 146 N LEU A 13 -1.303 -10.023 -1.022 1.00 0.00 N ATOM 147 CA LEU A 13 -1.523 -9.902 0.415 1.00 0.00 C ATOM 148 C LEU A 13 -0.238 -10.180 1.189 1.00 0.00 C ATOM 149 O LEU A 13 0.275 -9.310 1.891 1.00 0.00 O ATOM 150 CB LEU A 13 -2.622 -10.867 0.865 1.00 0.00 C ATOM 151 CG LEU A 13 -2.794 -11.030 2.376 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.220 -9.715 3.011 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.805 -12.126 2.682 1.00 0.00 C ATOM 0 H LEU A 13 -1.902 -10.707 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.837 -8.879 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.569 -10.528 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.416 -11.847 0.435 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.834 -11.320 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.337 -9.851 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.460 -8.957 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.168 -9.393 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.915 -12.228 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.768 -11.866 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.457 -13.070 2.262 1.00 0.00 H new ATOM 165 N ARG A 14 0.277 -11.398 1.052 1.00 0.00 N ATOM 166 CA ARG A 14 1.502 -11.790 1.737 1.00 0.00 C ATOM 167 C ARG A 14 2.627 -10.801 1.448 1.00 0.00 C ATOM 168 O ARG A 14 3.265 -10.285 2.366 1.00 0.00 O ATOM 169 CB ARG A 14 1.923 -13.198 1.309 1.00 0.00 C ATOM 170 CG ARG A 14 1.261 -14.302 2.116 1.00 0.00 C ATOM 171 CD ARG A 14 1.590 -15.676 1.552 1.00 0.00 C ATOM 172 NE ARG A 14 2.977 -16.054 1.807 1.00 0.00 N ATOM 173 CZ ARG A 14 3.624 -16.986 1.115 1.00 0.00 C ATOM 174 NH1 ARG A 14 3.011 -17.630 0.132 1.00 0.00 N ATOM 175 NH2 ARG A 14 4.886 -17.274 1.406 1.00 0.00 N ATOM 0 H ARG A 14 -0.135 -12.130 0.473 1.00 0.00 H new ATOM 0 HA ARG A 14 1.306 -11.787 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.682 -13.336 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.005 -13.289 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.591 -14.244 3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.181 -14.156 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.925 -16.418 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.404 -15.681 0.478 1.00 0.00 H new ATOM 0 HE ARG A 14 3.477 -15.577 2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.041 -17.411 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.509 -18.345 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.361 -16.780 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.381 -17.990 0.874 1.00 0.00 H new ATOM 189 N TRP A 15 2.866 -10.543 0.167 1.00 0.00 N ATOM 190 CA TRP A 15 3.914 -9.617 -0.243 1.00 0.00 C ATOM 191 C TRP A 15 3.734 -8.259 0.425 1.00 0.00 C ATOM 192 O TRP A 15 4.704 -7.638 0.862 1.00 0.00 O ATOM 193 CB TRP A 15 3.913 -9.454 -1.765 1.00 0.00 C ATOM 194 CG TRP A 15 4.878 -8.416 -2.252 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.215 -8.580 -2.475 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.581 -7.053 -2.573 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.768 -7.402 -2.917 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.785 -6.449 -2.986 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.415 -6.283 -2.554 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.854 -5.114 -3.374 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.484 -4.958 -2.939 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.696 -4.385 -3.346 1.00 0.00 C ATOM 0 H TRP A 15 2.348 -10.962 -0.605 1.00 0.00 H new ATOM 0 HA TRP A 15 4.872 -10.031 0.071 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.157 -10.411 -2.226 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.908 -9.189 -2.094 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.759 -9.501 -2.326 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.750 -7.260 -3.155 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.476 -6.716 -2.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.788 -4.670 -3.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.589 -4.354 -2.926 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.717 -3.347 -3.644 1.00 0.00 H new ATOM 213 N CYS A 16 2.488 -7.804 0.504 1.00 0.00 N ATOM 214 CA CYS A 16 2.181 -6.518 1.120 1.00 0.00 C ATOM 215 C CYS A 16 2.435 -6.562 2.623 1.00 0.00 C ATOM 216 O CYS A 16 2.969 -5.614 3.199 1.00 0.00 O ATOM 217 CB CYS A 16 0.727 -6.131 0.846 1.00 0.00 C ATOM 218 SG CYS A 16 0.400 -5.657 -0.868 1.00 0.00 S ATOM 0 H CYS A 16 1.674 -8.307 0.149 1.00 0.00 H new ATOM 0 HA CYS A 16 2.837 -5.766 0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.083 -6.970 1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.453 -5.303 1.499 1.00 0.00 H new ATOM 0 HG CYS A 16 0.246 -6.726 -1.592 1.00 0.00 H new ATOM 224 N GLN A 17 2.044 -7.666 3.252 1.00 0.00 N ATOM 225 CA GLN A 17 2.227 -7.831 4.689 1.00 0.00 C ATOM 226 C GLN A 17 3.671 -7.547 5.090 1.00 0.00 C ATOM 227 O GLN A 17 3.929 -6.747 5.989 1.00 0.00 O ATOM 228 CB GLN A 17 1.835 -9.247 5.115 1.00 0.00 C ATOM 229 CG GLN A 17 0.344 -9.421 5.350 1.00 0.00 C ATOM 230 CD GLN A 17 -0.020 -10.834 5.763 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.737 -11.776 5.529 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.186 -10.988 6.381 1.00 0.00 N ATOM 0 H GLN A 17 1.599 -8.459 2.789 1.00 0.00 H new ATOM 0 HA GLN A 17 1.581 -7.115 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.158 -9.951 4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.371 -9.504 6.029 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.018 -8.725 6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.196 -9.162 4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.782 -10.179 6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.485 -11.916 6.682 1.00 0.00 H new ATOM 241 N GLU A 18 4.607 -8.209 4.418 1.00 0.00 N ATOM 242 CA GLU A 18 6.026 -8.027 4.706 1.00 0.00 C ATOM 243 C GLU A 18 6.424 -6.560 4.576 1.00 0.00 C ATOM 244 O GLU A 18 7.067 -6.001 5.463 1.00 0.00 O ATOM 245 CB GLU A 18 6.874 -8.883 3.764 1.00 0.00 C ATOM 246 CG GLU A 18 7.042 -10.319 4.232 1.00 0.00 C ATOM 247 CD GLU A 18 8.193 -10.486 5.204 1.00 0.00 C ATOM 248 OE1 GLU A 18 9.355 -10.315 4.784 1.00 0.00 O ATOM 249 OE2 GLU A 18 7.929 -10.787 6.388 1.00 0.00 O ATOM 0 H GLU A 18 4.410 -8.875 3.671 1.00 0.00 H new ATOM 0 HA GLU A 18 6.206 -8.344 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.415 -8.883 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.858 -8.426 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.119 -10.652 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.206 -10.962 3.367 1.00 0.00 H new ATOM 256 N GLN A 19 6.038 -5.944 3.463 1.00 0.00 N ATOM 257 CA GLN A 19 6.355 -4.544 3.217 1.00 0.00 C ATOM 258 C GLN A 19 5.628 -3.637 4.205 1.00 0.00 C ATOM 259 O GLN A 19 6.049 -2.506 4.453 1.00 0.00 O ATOM 260 CB GLN A 19 5.981 -4.159 1.784 1.00 0.00 C ATOM 261 CG GLN A 19 6.649 -5.023 0.728 1.00 0.00 C ATOM 262 CD GLN A 19 8.094 -5.342 1.061 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.832 -4.487 1.554 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.506 -6.575 0.795 1.00 0.00 N ATOM 0 H GLN A 19 5.505 -6.393 2.718 1.00 0.00 H new ATOM 0 HA GLN A 19 7.428 -4.412 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.899 -4.230 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.252 -3.117 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.091 -5.953 0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.606 -4.512 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.861 -7.251 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.468 -6.846 0.999 1.00 0.00 H new ATOM 273 N THR A 20 4.534 -4.141 4.767 1.00 0.00 N ATOM 274 CA THR A 20 3.747 -3.377 5.727 1.00 0.00 C ATOM 275 C THR A 20 3.859 -3.972 7.126 1.00 0.00 C ATOM 276 O THR A 20 2.971 -3.794 7.960 1.00 0.00 O ATOM 277 CB THR A 20 2.262 -3.325 5.321 1.00 0.00 C ATOM 278 OG1 THR A 20 1.767 -4.650 5.104 1.00 0.00 O ATOM 279 CG2 THR A 20 2.075 -2.494 4.060 1.00 0.00 C ATOM 0 H THR A 20 4.173 -5.075 4.574 1.00 0.00 H new ATOM 0 HA THR A 20 4.150 -2.364 5.732 1.00 0.00 H new ATOM 0 HB THR A 20 1.702 -2.858 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.382 -5.137 4.516 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.019 -2.472 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.426 -1.478 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.647 -2.937 3.244 1.00 0.00 H new ATOM 287 N ALA A 21 4.957 -4.678 7.378 1.00 0.00 N ATOM 288 CA ALA A 21 5.186 -5.296 8.678 1.00 0.00 C ATOM 289 C ALA A 21 6.126 -4.451 9.531 1.00 0.00 C ATOM 290 O ALA A 21 5.929 -4.310 10.736 1.00 0.00 O ATOM 291 CB ALA A 21 5.746 -6.700 8.504 1.00 0.00 C ATOM 0 H ALA A 21 5.701 -4.836 6.699 1.00 0.00 H new ATOM 0 HA ALA A 21 4.229 -5.360 9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.912 -7.149 9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.037 -7.307 7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.691 -6.650 7.963 1.00 0.00 H new ATOM 297 N GLY A 22 7.151 -3.889 8.894 1.00 0.00 N ATOM 298 CA GLY A 22 8.107 -3.066 9.610 1.00 0.00 C ATOM 299 C GLY A 22 7.570 -1.680 9.907 1.00 0.00 C ATOM 300 O GLY A 22 8.240 -0.679 9.648 1.00 0.00 O ATOM 0 H GLY A 22 7.335 -3.990 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.375 -3.557 10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.021 -2.980 9.022 1.00 0.00 H new ATOM 304 N TYR A 23 6.360 -1.620 10.450 1.00 0.00 N ATOM 305 CA TYR A 23 5.732 -0.346 10.779 1.00 0.00 C ATOM 306 C TYR A 23 4.852 -0.475 12.018 1.00 0.00 C ATOM 307 O TYR A 23 4.022 -1.378 12.132 1.00 0.00 O ATOM 308 CB TYR A 23 4.898 0.155 9.598 1.00 0.00 C ATOM 309 CG TYR A 23 4.538 1.622 9.691 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.848 2.119 10.789 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.888 2.508 8.681 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.514 3.457 10.877 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.561 3.848 8.761 1.00 0.00 C ATOM 314 CZ TYR A 23 3.874 4.317 9.860 1.00 0.00 C ATOM 315 OH TYR A 23 3.546 5.651 9.945 1.00 0.00 O ATOM 0 H TYR A 23 5.794 -2.439 10.672 1.00 0.00 H new ATOM 0 HA TYR A 23 6.522 0.375 10.990 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.451 -0.017 8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.982 -0.432 9.536 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.568 1.448 11.588 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.425 2.143 7.818 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.975 3.827 11.736 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.842 4.524 7.967 1.00 0.00 H new ATOM 0 HH TYR A 23 3.518 5.922 10.886 1.00 0.00 H new ATOM 325 N PRO A 24 5.037 0.449 12.973 1.00 0.00 N ATOM 326 CA PRO A 24 4.268 0.461 14.222 1.00 0.00 C ATOM 327 C PRO A 24 2.808 0.839 14.001 1.00 0.00 C ATOM 328 O PRO A 24 2.504 1.942 13.547 1.00 0.00 O ATOM 329 CB PRO A 24 4.976 1.528 15.062 1.00 0.00 C ATOM 330 CG PRO A 24 5.621 2.429 14.067 1.00 0.00 C ATOM 331 CD PRO A 24 6.009 1.553 12.906 1.00 0.00 C ATOM 0 HA PRO A 24 4.238 -0.522 14.692 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.269 2.072 15.688 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.714 1.082 15.728 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.936 3.215 13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.495 2.921 14.494 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.944 2.089 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.034 1.193 12.999 1.00 0.00 H new ATOM 339 N GLY A 25 1.907 -0.084 14.324 1.00 0.00 N ATOM 340 CA GLY A 25 0.489 0.172 14.154 1.00 0.00 C ATOM 341 C GLY A 25 -0.084 -0.526 12.938 1.00 0.00 C ATOM 342 O GLY A 25 -1.131 -1.170 13.018 1.00 0.00 O ATOM 0 H GLY A 25 2.134 -1.004 14.700 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.046 -0.158 15.044 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.325 1.246 14.064 1.00 0.00 H new ATOM 346 N VAL A 26 0.602 -0.401 11.806 1.00 0.00 N ATOM 347 CA VAL A 26 0.154 -1.026 10.566 1.00 0.00 C ATOM 348 C VAL A 26 0.028 -2.536 10.727 1.00 0.00 C ATOM 349 O VAL A 26 1.029 -3.247 10.820 1.00 0.00 O ATOM 350 CB VAL A 26 1.119 -0.722 9.405 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.663 -1.424 8.135 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.230 0.779 9.183 1.00 0.00 C ATOM 0 H VAL A 26 1.470 0.127 11.722 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.825 -0.606 10.334 1.00 0.00 H new ATOM 0 HB VAL A 26 2.107 -1.101 9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.357 -1.198 7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.640 -2.501 8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.335 -1.077 7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.916 0.975 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.248 1.185 8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.606 1.254 10.089 1.00 0.00 H new ATOM 362 N HIS A 27 -1.209 -3.022 10.757 1.00 0.00 N ATOM 363 CA HIS A 27 -1.466 -4.449 10.905 1.00 0.00 C ATOM 364 C HIS A 27 -2.256 -4.985 9.715 1.00 0.00 C ATOM 365 O HIS A 27 -3.435 -5.316 9.837 1.00 0.00 O ATOM 366 CB HIS A 27 -2.230 -4.720 12.201 1.00 0.00 C ATOM 367 CG HIS A 27 -3.470 -3.892 12.349 1.00 0.00 C ATOM 368 ND1 HIS A 27 -3.473 -2.635 12.913 1.00 0.00 N ATOM 369 CD2 HIS A 27 -4.753 -4.150 12.002 1.00 0.00 C ATOM 370 CE1 HIS A 27 -4.704 -2.154 12.908 1.00 0.00 C ATOM 371 NE2 HIS A 27 -5.500 -3.055 12.360 1.00 0.00 N ATOM 0 H HIS A 27 -2.049 -2.448 10.681 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.506 -4.963 10.944 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.501 -5.775 12.240 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.572 -4.528 13.048 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.653 -2.151 13.278 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.121 -5.050 11.531 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.007 -1.189 13.287 1.00 0.00 H new ATOM 380 N VAL A 28 -1.598 -5.067 8.563 1.00 0.00 N ATOM 381 CA VAL A 28 -2.238 -5.563 7.350 1.00 0.00 C ATOM 382 C VAL A 28 -2.514 -7.059 7.447 1.00 0.00 C ATOM 383 O VAL A 28 -1.605 -7.878 7.311 1.00 0.00 O ATOM 384 CB VAL A 28 -1.370 -5.291 6.106 1.00 0.00 C ATOM 385 CG1 VAL A 28 -1.974 -5.957 4.879 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.208 -3.795 5.887 1.00 0.00 C ATOM 0 H VAL A 28 -0.622 -4.796 8.444 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.182 -5.028 7.249 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.381 -5.719 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.348 -5.754 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.033 -7.033 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.975 -5.561 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.592 -3.621 5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.188 -3.340 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.727 -3.350 6.758 1.00 0.00 H new ATOM 396 N SER A 29 -3.775 -7.409 7.682 1.00 0.00 N ATOM 397 CA SER A 29 -4.171 -8.807 7.800 1.00 0.00 C ATOM 398 C SER A 29 -4.966 -9.252 6.575 1.00 0.00 C ATOM 399 O SER A 29 -5.022 -10.440 6.256 1.00 0.00 O ATOM 400 CB SER A 29 -5.003 -9.017 9.066 1.00 0.00 C ATOM 401 OG SER A 29 -6.308 -8.485 8.914 1.00 0.00 O ATOM 0 H SER A 29 -4.540 -6.743 7.794 1.00 0.00 H new ATOM 0 HA SER A 29 -3.266 -9.412 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.065 -10.082 9.291 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.509 -8.540 9.913 1.00 0.00 H new ATOM 0 HG SER A 29 -6.820 -8.634 9.736 1.00 0.00 H new ATOM 407 N ASP A 30 -5.577 -8.290 5.893 1.00 0.00 N ATOM 408 CA ASP A 30 -6.368 -8.580 4.703 1.00 0.00 C ATOM 409 C ASP A 30 -6.484 -7.346 3.813 1.00 0.00 C ATOM 410 O ASP A 30 -5.887 -6.306 4.094 1.00 0.00 O ATOM 411 CB ASP A 30 -7.760 -9.074 5.098 1.00 0.00 C ATOM 412 CG ASP A 30 -8.346 -10.032 4.079 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.110 -11.252 4.209 1.00 0.00 O ATOM 414 OD2 ASP A 30 -9.039 -9.562 3.153 1.00 0.00 O ATOM 0 H ASP A 30 -5.540 -7.302 6.144 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.860 -9.363 4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.705 -9.569 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.426 -8.219 5.214 1.00 0.00 H new ATOM 419 N LEU A 31 -7.256 -7.469 2.738 1.00 0.00 N ATOM 420 CA LEU A 31 -7.449 -6.364 1.806 1.00 0.00 C ATOM 421 C LEU A 31 -8.885 -5.855 1.857 1.00 0.00 C ATOM 422 O LEU A 31 -9.453 -5.464 0.837 1.00 0.00 O ATOM 423 CB LEU A 31 -7.103 -6.805 0.382 1.00 0.00 C ATOM 424 CG LEU A 31 -5.794 -7.578 0.219 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.880 -8.529 -0.965 1.00 0.00 C ATOM 426 CD2 LEU A 31 -4.626 -6.617 0.049 1.00 0.00 C ATOM 0 H LEU A 31 -7.758 -8.322 2.491 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.784 -5.552 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.917 -7.425 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.060 -5.919 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.627 -8.167 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.939 -9.071 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.692 -9.238 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.071 -7.960 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.702 -7.184 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.787 -6.002 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.552 -5.976 0.927 1.00 0.00 H new ATOM 438 N SER A 32 -9.468 -5.860 3.053 1.00 0.00 N ATOM 439 CA SER A 32 -10.839 -5.399 3.237 1.00 0.00 C ATOM 440 C SER A 32 -10.866 -4.029 3.905 1.00 0.00 C ATOM 441 O SER A 32 -11.195 -3.024 3.274 1.00 0.00 O ATOM 442 CB SER A 32 -11.628 -6.405 4.078 1.00 0.00 C ATOM 443 OG SER A 32 -13.001 -6.394 3.729 1.00 0.00 O ATOM 0 H SER A 32 -9.012 -6.178 3.908 1.00 0.00 H new ATOM 0 HA SER A 32 -11.303 -5.314 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.220 -7.405 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.516 -6.167 5.136 1.00 0.00 H new ATOM 0 HG SER A 32 -13.484 -7.046 4.279 1.00 0.00 H new ATOM 449 N SER A 33 -10.518 -3.995 5.188 1.00 0.00 N ATOM 450 CA SER A 33 -10.506 -2.749 5.945 1.00 0.00 C ATOM 451 C SER A 33 -9.091 -2.401 6.397 1.00 0.00 C ATOM 452 O SER A 33 -8.787 -1.245 6.687 1.00 0.00 O ATOM 453 CB SER A 33 -11.429 -2.856 7.160 1.00 0.00 C ATOM 454 OG SER A 33 -11.036 -3.922 8.007 1.00 0.00 O ATOM 0 H SER A 33 -10.241 -4.817 5.725 1.00 0.00 H new ATOM 0 HA SER A 33 -10.867 -1.954 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.412 -1.919 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.456 -3.011 6.828 1.00 0.00 H new ATOM 0 HG SER A 33 -11.641 -3.968 8.777 1.00 0.00 H new ATOM 460 N SER A 34 -8.230 -3.413 6.455 1.00 0.00 N ATOM 461 CA SER A 34 -6.847 -3.216 6.875 1.00 0.00 C ATOM 462 C SER A 34 -6.210 -2.053 6.121 1.00 0.00 C ATOM 463 O SER A 34 -5.277 -1.417 6.612 1.00 0.00 O ATOM 464 CB SER A 34 -6.037 -4.493 6.644 1.00 0.00 C ATOM 465 OG SER A 34 -6.084 -5.339 7.780 1.00 0.00 O ATOM 0 H SER A 34 -8.466 -4.376 6.217 1.00 0.00 H new ATOM 0 HA SER A 34 -6.846 -2.980 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.428 -5.023 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.002 -4.235 6.421 1.00 0.00 H new ATOM 0 HG SER A 34 -6.479 -6.200 7.530 1.00 0.00 H new ATOM 471 N TRP A 35 -6.722 -1.780 4.926 1.00 0.00 N ATOM 472 CA TRP A 35 -6.203 -0.693 4.103 1.00 0.00 C ATOM 473 C TRP A 35 -7.150 0.503 4.122 1.00 0.00 C ATOM 474 O TRP A 35 -6.804 1.586 3.650 1.00 0.00 O ATOM 475 CB TRP A 35 -5.992 -1.170 2.666 1.00 0.00 C ATOM 476 CG TRP A 35 -5.062 -2.340 2.559 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.342 -3.641 2.863 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.699 -2.314 2.118 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.237 -4.426 2.639 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.217 -3.636 2.181 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.841 -1.304 1.674 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -1.914 -3.970 1.818 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.550 -1.638 1.315 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.097 -2.962 1.387 1.00 0.00 C ATOM 0 H TRP A 35 -7.495 -2.296 4.506 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.245 -0.381 4.518 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.956 -1.441 2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.598 -0.346 2.071 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.293 -4.001 3.227 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.185 -5.434 2.789 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.181 -0.281 1.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.562 -4.989 1.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.878 -0.865 0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.082 -3.191 1.096 1.00 0.00 H new ATOM 495 N ALA A 36 -8.343 0.299 4.669 1.00 0.00 N ATOM 496 CA ALA A 36 -9.338 1.360 4.750 1.00 0.00 C ATOM 497 C ALA A 36 -9.104 2.240 5.973 1.00 0.00 C ATOM 498 O ALA A 36 -10.050 2.754 6.571 1.00 0.00 O ATOM 499 CB ALA A 36 -10.740 0.770 4.783 1.00 0.00 C ATOM 0 H ALA A 36 -8.644 -0.592 5.063 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.240 1.983 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.472 1.575 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.912 0.190 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.841 0.121 5.653 1.00 0.00 H new ATOM 505 N ASP A 37 -7.838 2.409 6.340 1.00 0.00 N ATOM 506 CA ASP A 37 -7.479 3.227 7.493 1.00 0.00 C ATOM 507 C ASP A 37 -6.550 4.366 7.083 1.00 0.00 C ATOM 508 O ASP A 37 -6.712 5.502 7.526 1.00 0.00 O ATOM 509 CB ASP A 37 -6.810 2.367 8.567 1.00 0.00 C ATOM 510 CG ASP A 37 -7.816 1.633 9.431 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.957 1.430 8.969 1.00 0.00 O ATOM 512 OD2 ASP A 37 -7.461 1.262 10.569 1.00 0.00 O ATOM 0 H ASP A 37 -7.044 1.991 5.856 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.393 3.657 7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.149 1.643 8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.186 3.000 9.199 1.00 0.00 H new ATOM 517 N GLY A 38 -5.576 4.053 6.235 1.00 0.00 N ATOM 518 CA GLY A 38 -4.636 5.060 5.780 1.00 0.00 C ATOM 519 C GLY A 38 -3.195 4.616 5.930 1.00 0.00 C ATOM 520 O GLY A 38 -2.516 4.340 4.940 1.00 0.00 O ATOM 0 H GLY A 38 -5.421 3.119 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.835 5.292 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.791 5.979 6.345 1.00 0.00 H new ATOM 524 N LEU A 39 -2.724 4.547 7.170 1.00 0.00 N ATOM 525 CA LEU A 39 -1.352 4.136 7.447 1.00 0.00 C ATOM 526 C LEU A 39 -0.942 2.971 6.551 1.00 0.00 C ATOM 527 O LEU A 39 0.132 2.986 5.951 1.00 0.00 O ATOM 528 CB LEU A 39 -1.204 3.739 8.917 1.00 0.00 C ATOM 529 CG LEU A 39 -0.813 4.862 9.878 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.004 4.420 11.321 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.626 5.295 9.638 1.00 0.00 C ATOM 0 H LEU A 39 -3.272 4.771 8.000 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.696 4.981 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.148 3.311 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.454 2.951 8.986 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.464 5.716 9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.721 5.232 11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.050 4.161 11.487 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.379 3.550 11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.886 6.095 10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.292 4.447 9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.732 5.654 8.614 1.00 0.00 H new ATOM 543 N ALA A 40 -1.806 1.967 6.463 1.00 0.00 N ATOM 544 CA ALA A 40 -1.535 0.796 5.637 1.00 0.00 C ATOM 545 C ALA A 40 -0.746 1.175 4.389 1.00 0.00 C ATOM 546 O ALA A 40 0.387 0.731 4.199 1.00 0.00 O ATOM 547 CB ALA A 40 -2.838 0.109 5.252 1.00 0.00 C ATOM 0 H ALA A 40 -2.700 1.940 6.953 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.930 0.102 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.621 -0.763 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.364 -0.205 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.463 0.803 4.691 1.00 0.00 H new ATOM 553 N LEU A 41 -1.351 2.000 3.540 1.00 0.00 N ATOM 554 CA LEU A 41 -0.705 2.439 2.309 1.00 0.00 C ATOM 555 C LEU A 41 0.598 3.173 2.609 1.00 0.00 C ATOM 556 O LEU A 41 1.597 2.997 1.911 1.00 0.00 O ATOM 557 CB LEU A 41 -1.643 3.348 1.513 1.00 0.00 C ATOM 558 CG LEU A 41 -2.558 2.650 0.505 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.653 3.595 0.035 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.753 2.132 -0.677 1.00 0.00 C ATOM 0 H LEU A 41 -2.288 2.378 3.682 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.474 1.555 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.265 3.900 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.039 4.081 0.978 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.028 1.799 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.294 3.081 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.248 3.916 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.202 4.466 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.420 1.639 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.254 2.966 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.007 1.420 -0.325 1.00 0.00 H new ATOM 572 N CYS A 42 0.580 3.995 3.653 1.00 0.00 N ATOM 573 CA CYS A 42 1.761 4.755 4.048 1.00 0.00 C ATOM 574 C CYS A 42 2.948 3.828 4.290 1.00 0.00 C ATOM 575 O CYS A 42 4.015 4.002 3.702 1.00 0.00 O ATOM 576 CB CYS A 42 1.470 5.571 5.307 1.00 0.00 C ATOM 577 SG CYS A 42 -0.068 6.521 5.233 1.00 0.00 S ATOM 0 H CYS A 42 -0.239 4.152 4.241 1.00 0.00 H new ATOM 0 HA CYS A 42 2.014 5.435 3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.427 4.897 6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.299 6.256 5.483 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.059 5.723 4.966 1.00 0.00 H new ATOM 583 N ALA A 43 2.755 2.844 5.163 1.00 0.00 N ATOM 584 CA ALA A 43 3.810 1.890 5.483 1.00 0.00 C ATOM 585 C ALA A 43 4.393 1.270 4.217 1.00 0.00 C ATOM 586 O ALA A 43 5.610 1.241 4.032 1.00 0.00 O ATOM 587 CB ALA A 43 3.277 0.806 6.408 1.00 0.00 C ATOM 0 H ALA A 43 1.879 2.687 5.661 1.00 0.00 H new ATOM 0 HA ALA A 43 4.610 2.427 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.075 0.100 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.916 1.260 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.458 0.280 5.918 1.00 0.00 H new ATOM 593 N LEU A 44 3.517 0.775 3.350 1.00 0.00 N ATOM 594 CA LEU A 44 3.944 0.154 2.101 1.00 0.00 C ATOM 595 C LEU A 44 4.814 1.108 1.289 1.00 0.00 C ATOM 596 O LEU A 44 5.899 0.742 0.834 1.00 0.00 O ATOM 597 CB LEU A 44 2.728 -0.272 1.278 1.00 0.00 C ATOM 598 CG LEU A 44 3.005 -0.670 -0.173 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.586 -2.074 -0.239 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.733 -0.576 -1.003 1.00 0.00 C ATOM 0 H LEU A 44 2.507 0.791 3.489 1.00 0.00 H new ATOM 0 HA LEU A 44 4.535 -0.728 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.252 -1.114 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.009 0.547 1.278 1.00 0.00 H new ATOM 0 HG LEU A 44 3.737 0.023 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.777 -2.340 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.520 -2.108 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.878 -2.781 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.948 -0.863 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.979 -1.246 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.360 0.448 -0.982 1.00 0.00 H new ATOM 612 N VAL A 45 4.332 2.334 1.111 1.00 0.00 N ATOM 613 CA VAL A 45 5.066 3.343 0.356 1.00 0.00 C ATOM 614 C VAL A 45 6.427 3.618 0.987 1.00 0.00 C ATOM 615 O VAL A 45 7.467 3.351 0.386 1.00 0.00 O ATOM 616 CB VAL A 45 4.277 4.662 0.268 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.086 5.719 -0.467 1.00 0.00 C ATOM 618 CG2 VAL A 45 2.937 4.436 -0.414 1.00 0.00 C ATOM 0 H VAL A 45 3.436 2.653 1.480 1.00 0.00 H new ATOM 0 HA VAL A 45 5.208 2.946 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 45 4.088 5.021 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.513 6.645 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.019 5.900 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.307 5.371 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.392 5.379 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.101 4.054 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.355 3.713 0.158 1.00 0.00 H new ATOM 628 N TYR A 46 6.411 4.154 2.202 1.00 0.00 N ATOM 629 CA TYR A 46 7.644 4.469 2.914 1.00 0.00 C ATOM 630 C TYR A 46 8.632 3.308 2.833 1.00 0.00 C ATOM 631 O TYR A 46 9.778 3.482 2.421 1.00 0.00 O ATOM 632 CB TYR A 46 7.343 4.794 4.379 1.00 0.00 C ATOM 633 CG TYR A 46 6.707 6.151 4.578 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.418 7.317 4.324 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.396 6.266 5.023 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.841 8.559 4.506 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.810 7.503 5.206 1.00 0.00 C ATOM 638 CZ TYR A 46 5.536 8.647 4.947 1.00 0.00 C ATOM 639 OH TYR A 46 4.956 9.882 5.129 1.00 0.00 O ATOM 0 H TYR A 46 5.558 4.379 2.714 1.00 0.00 H new ATOM 0 HA TYR A 46 8.095 5.341 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.681 4.029 4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.270 4.749 4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.439 7.252 3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.825 5.373 5.229 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.408 9.456 4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.789 7.574 5.550 1.00 0.00 H new ATOM 0 HH TYR A 46 4.350 10.072 4.383 1.00 0.00 H new ATOM 649 N ARG A 47 8.176 2.124 3.228 1.00 0.00 N ATOM 650 CA ARG A 47 9.019 0.934 3.200 1.00 0.00 C ATOM 651 C ARG A 47 9.669 0.760 1.831 1.00 0.00 C ATOM 652 O ARG A 47 10.893 0.814 1.701 1.00 0.00 O ATOM 653 CB ARG A 47 8.196 -0.308 3.548 1.00 0.00 C ATOM 654 CG ARG A 47 8.995 -1.600 3.505 1.00 0.00 C ATOM 655 CD ARG A 47 9.714 -1.854 4.821 1.00 0.00 C ATOM 656 NE ARG A 47 10.734 -2.891 4.696 1.00 0.00 N ATOM 657 CZ ARG A 47 11.736 -3.044 5.555 1.00 0.00 C ATOM 658 NH1 ARG A 47 11.851 -2.231 6.595 1.00 0.00 N ATOM 659 NH2 ARG A 47 12.624 -4.013 5.374 1.00 0.00 N ATOM 0 H ARG A 47 7.229 1.963 3.571 1.00 0.00 H new ATOM 0 HA ARG A 47 9.807 1.060 3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.773 -0.185 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.359 -0.385 2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.328 -2.434 3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.723 -1.552 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.177 -0.929 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.989 -2.149 5.579 1.00 0.00 H new ATOM 0 HE ARG A 47 10.674 -3.533 3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.169 -1.486 6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.621 -2.351 7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.538 -4.641 4.575 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.393 -4.130 6.034 1.00 0.00 H new ATOM 673 N LEU A 48 8.843 0.550 0.813 1.00 0.00 N ATOM 674 CA LEU A 48 9.337 0.367 -0.548 1.00 0.00 C ATOM 675 C LEU A 48 10.505 1.305 -0.834 1.00 0.00 C ATOM 676 O LEU A 48 11.467 0.927 -1.503 1.00 0.00 O ATOM 677 CB LEU A 48 8.213 0.612 -1.557 1.00 0.00 C ATOM 678 CG LEU A 48 7.253 -0.556 -1.789 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.019 -0.091 -2.547 1.00 0.00 C ATOM 680 CD2 LEU A 48 7.951 -1.680 -2.540 1.00 0.00 C ATOM 0 H LEU A 48 7.828 0.502 0.903 1.00 0.00 H new ATOM 0 HA LEU A 48 9.687 -0.660 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.633 1.472 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.662 0.882 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 48 6.935 -0.938 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.348 -0.936 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.506 0.679 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.318 0.318 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.252 -2.502 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.299 -1.312 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.802 -2.033 -1.958 1.00 0.00 H new ATOM 692 N GLN A 49 10.415 2.527 -0.320 1.00 0.00 N ATOM 693 CA GLN A 49 11.465 3.518 -0.520 1.00 0.00 C ATOM 694 C GLN A 49 11.847 4.181 0.800 1.00 0.00 C ATOM 695 O GLN A 49 11.206 5.129 1.254 1.00 0.00 O ATOM 696 CB GLN A 49 11.012 4.579 -1.524 1.00 0.00 C ATOM 697 CG GLN A 49 12.152 5.182 -2.329 1.00 0.00 C ATOM 698 CD GLN A 49 11.686 6.272 -3.275 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.966 6.009 -4.238 1.00 0.00 O ATOM 700 NE2 GLN A 49 12.095 7.506 -3.003 1.00 0.00 N ATOM 0 H GLN A 49 9.626 2.854 0.238 1.00 0.00 H new ATOM 0 HA GLN A 49 12.342 3.005 -0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.290 4.134 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.495 5.376 -0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.896 5.592 -1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.644 4.395 -2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.691 7.679 -2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.813 8.281 -3.603 1.00 0.00 H new ATOM 709 N PRO A 50 12.914 3.670 1.432 1.00 0.00 N ATOM 710 CA PRO A 50 13.404 4.197 2.709 1.00 0.00 C ATOM 711 C PRO A 50 14.029 5.581 2.564 1.00 0.00 C ATOM 712 O PRO A 50 14.291 6.261 3.555 1.00 0.00 O ATOM 713 CB PRO A 50 14.461 3.175 3.133 1.00 0.00 C ATOM 714 CG PRO A 50 14.922 2.557 1.858 1.00 0.00 C ATOM 715 CD PRO A 50 13.724 2.540 0.949 1.00 0.00 C ATOM 0 HA PRO A 50 12.599 4.323 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.285 3.654 3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.042 2.428 3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.737 3.131 1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.298 1.548 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.010 2.668 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.181 1.598 1.018 1.00 0.00 H new ATOM 723 N GLY A 51 14.266 5.991 1.322 1.00 0.00 N ATOM 724 CA GLY A 51 14.858 7.291 1.069 1.00 0.00 C ATOM 725 C GLY A 51 13.884 8.428 1.306 1.00 0.00 C ATOM 726 O GLY A 51 14.252 9.466 1.856 1.00 0.00 O ATOM 0 H GLY A 51 14.058 5.445 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.728 7.422 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.214 7.330 0.040 1.00 0.00 H new ATOM 730 N LEU A 52 12.638 8.233 0.889 1.00 0.00 N ATOM 731 CA LEU A 52 11.606 9.251 1.057 1.00 0.00 C ATOM 732 C LEU A 52 11.440 9.620 2.529 1.00 0.00 C ATOM 733 O LEU A 52 11.750 8.825 3.417 1.00 0.00 O ATOM 734 CB LEU A 52 10.275 8.756 0.490 1.00 0.00 C ATOM 735 CG LEU A 52 10.061 8.976 -1.008 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.183 7.879 -1.589 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.445 10.346 -1.262 1.00 0.00 C ATOM 0 H LEU A 52 12.317 7.379 0.432 1.00 0.00 H new ATOM 0 HA LEU A 52 11.917 10.142 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.189 7.689 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.467 9.251 1.029 1.00 0.00 H new ATOM 0 HG LEU A 52 11.031 8.937 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.042 8.053 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.662 6.912 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.214 7.885 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.299 10.487 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.483 10.413 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.111 11.121 -0.882 1.00 0.00 H new ATOM 749 N LEU A 53 10.947 10.827 2.778 1.00 0.00 N ATOM 750 CA LEU A 53 10.735 11.301 4.141 1.00 0.00 C ATOM 751 C LEU A 53 9.995 10.257 4.971 1.00 0.00 C ATOM 752 O LEU A 53 9.628 9.197 4.468 1.00 0.00 O ATOM 753 CB LEU A 53 9.949 12.614 4.131 1.00 0.00 C ATOM 754 CG LEU A 53 8.492 12.519 3.678 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.347 11.504 2.555 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.592 12.153 4.849 1.00 0.00 C ATOM 0 H LEU A 53 10.686 11.496 2.054 1.00 0.00 H new ATOM 0 HA LEU A 53 11.711 11.474 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.970 13.034 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.466 13.319 3.480 1.00 0.00 H new ATOM 0 HG LEU A 53 8.185 13.494 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.303 11.450 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.961 11.809 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.673 10.525 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.559 12.090 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.899 11.190 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.673 12.917 5.622 1.00 0.00 H new ATOM 768 N GLU A 54 9.777 10.569 6.246 1.00 0.00 N ATOM 769 CA GLU A 54 9.078 9.658 7.145 1.00 0.00 C ATOM 770 C GLU A 54 7.672 10.168 7.451 1.00 0.00 C ATOM 771 O GLU A 54 7.374 11.355 7.324 1.00 0.00 O ATOM 772 CB GLU A 54 9.864 9.486 8.445 1.00 0.00 C ATOM 773 CG GLU A 54 11.031 8.520 8.329 1.00 0.00 C ATOM 774 CD GLU A 54 11.833 8.416 9.612 1.00 0.00 C ATOM 775 OE1 GLU A 54 12.633 9.333 9.888 1.00 0.00 O ATOM 776 OE2 GLU A 54 11.660 7.416 10.339 1.00 0.00 O ATOM 0 H GLU A 54 10.074 11.444 6.678 1.00 0.00 H new ATOM 0 HA GLU A 54 8.995 8.691 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.239 10.458 8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.188 9.134 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.655 7.533 8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.687 8.844 7.521 1.00 0.00 H new ATOM 783 N PRO A 55 6.787 9.248 7.864 1.00 0.00 N ATOM 784 CA PRO A 55 5.398 9.579 8.196 1.00 0.00 C ATOM 785 C PRO A 55 5.289 10.401 9.476 1.00 0.00 C ATOM 786 O PRO A 55 4.189 10.688 9.949 1.00 0.00 O ATOM 787 CB PRO A 55 4.741 8.209 8.383 1.00 0.00 C ATOM 788 CG PRO A 55 5.861 7.302 8.762 1.00 0.00 C ATOM 789 CD PRO A 55 7.073 7.814 8.038 1.00 0.00 C ATOM 0 HA PRO A 55 4.929 10.190 7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.976 8.239 9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.253 7.875 7.467 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.020 7.308 9.840 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.643 6.273 8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.983 7.653 8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.210 7.313 7.080 1.00 0.00 H new ATOM 797 N SER A 56 6.436 10.778 10.031 1.00 0.00 N ATOM 798 CA SER A 56 6.469 11.564 11.259 1.00 0.00 C ATOM 799 C SER A 56 5.305 12.548 11.305 1.00 0.00 C ATOM 800 O SER A 56 4.800 12.879 12.378 1.00 0.00 O ATOM 801 CB SER A 56 7.794 12.321 11.369 1.00 0.00 C ATOM 802 OG SER A 56 7.808 13.162 12.510 1.00 0.00 O ATOM 0 H SER A 56 7.355 10.552 9.650 1.00 0.00 H new ATOM 0 HA SER A 56 6.378 10.879 12.102 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.619 11.611 11.427 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.951 12.919 10.471 1.00 0.00 H new ATOM 0 HG SER A 56 8.666 13.633 12.558 1.00 0.00 H new ATOM 808 N GLU A 57 4.882 13.012 10.133 1.00 0.00 N ATOM 809 CA GLU A 57 3.777 13.958 10.039 1.00 0.00 C ATOM 810 C GLU A 57 2.435 13.240 10.138 1.00 0.00 C ATOM 811 O GLU A 57 1.599 13.574 10.979 1.00 0.00 O ATOM 812 CB GLU A 57 3.855 14.739 8.725 1.00 0.00 C ATOM 813 CG GLU A 57 4.556 13.983 7.608 1.00 0.00 C ATOM 814 CD GLU A 57 4.432 14.678 6.266 1.00 0.00 C ATOM 815 OE1 GLU A 57 3.374 14.534 5.618 1.00 0.00 O ATOM 816 OE2 GLU A 57 5.395 15.365 5.864 1.00 0.00 O ATOM 0 H GLU A 57 5.288 12.748 9.235 1.00 0.00 H new ATOM 0 HA GLU A 57 3.858 14.655 10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.845 14.993 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.379 15.678 8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.611 13.869 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.136 12.980 7.534 1.00 0.00 H new ATOM 823 N LEU A 58 2.235 12.252 9.273 1.00 0.00 N ATOM 824 CA LEU A 58 0.994 11.484 9.261 1.00 0.00 C ATOM 825 C LEU A 58 0.610 11.050 10.672 1.00 0.00 C ATOM 826 O LEU A 58 -0.560 11.103 11.051 1.00 0.00 O ATOM 827 CB LEU A 58 1.138 10.257 8.358 1.00 0.00 C ATOM 828 CG LEU A 58 1.122 10.526 6.854 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.080 11.652 6.501 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.474 9.263 6.083 1.00 0.00 C ATOM 0 H LEU A 58 2.916 11.963 8.571 1.00 0.00 H new ATOM 0 HA LEU A 58 0.203 12.124 8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.073 9.755 8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.331 9.562 8.591 1.00 0.00 H new ATOM 0 HG LEU A 58 0.115 10.833 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.054 11.828 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.783 12.560 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.091 11.376 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.458 9.473 5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.470 8.926 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.747 8.483 6.311 1.00 0.00 H new ATOM 842 N GLN A 59 1.602 10.620 11.445 1.00 0.00 N ATOM 843 CA GLN A 59 1.367 10.178 12.814 1.00 0.00 C ATOM 844 C GLN A 59 0.293 11.028 13.484 1.00 0.00 C ATOM 845 O GLN A 59 -0.589 10.507 14.165 1.00 0.00 O ATOM 846 CB GLN A 59 2.664 10.243 13.623 1.00 0.00 C ATOM 847 CG GLN A 59 2.896 11.588 14.292 1.00 0.00 C ATOM 848 CD GLN A 59 4.140 11.602 15.158 1.00 0.00 C ATOM 849 OE1 GLN A 59 4.682 10.551 15.504 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.600 12.795 15.516 1.00 0.00 N ATOM 0 H GLN A 59 2.576 10.568 11.146 1.00 0.00 H new ATOM 0 HA GLN A 59 1.019 9.146 12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.646 9.465 14.386 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.505 10.024 12.965 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.982 12.360 13.527 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.029 11.840 14.903 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.120 13.640 15.207 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.433 12.866 16.100 1.00 0.00 H new ATOM 859 N GLY A 60 0.374 12.340 13.286 1.00 0.00 N ATOM 860 CA GLY A 60 -0.598 13.241 13.877 1.00 0.00 C ATOM 861 C GLY A 60 -1.470 13.917 12.838 1.00 0.00 C ATOM 862 O GLY A 60 -1.693 15.128 12.897 1.00 0.00 O ATOM 0 H GLY A 60 1.095 12.795 12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.229 12.685 14.570 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.077 14.001 14.459 1.00 0.00 H new ATOM 866 N LEU A 61 -1.963 13.136 11.883 1.00 0.00 N ATOM 867 CA LEU A 61 -2.814 13.668 10.824 1.00 0.00 C ATOM 868 C LEU A 61 -4.227 13.101 10.926 1.00 0.00 C ATOM 869 O LEU A 61 -5.160 13.801 11.314 1.00 0.00 O ATOM 870 CB LEU A 61 -2.220 13.342 9.453 1.00 0.00 C ATOM 871 CG LEU A 61 -1.260 14.383 8.874 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.830 13.989 7.470 1.00 0.00 C ATOM 873 CD2 LEU A 61 -1.907 15.760 8.868 1.00 0.00 C ATOM 0 H LEU A 61 -1.788 12.133 11.820 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.866 14.750 10.942 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.693 12.391 9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.039 13.201 8.748 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.373 14.423 9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.147 14.741 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.327 13.023 7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.707 13.920 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.210 16.488 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.811 15.735 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.165 16.045 9.888 1.00 0.00 H new ATOM 885 N GLY A 62 -4.374 11.826 10.576 1.00 0.00 N ATOM 886 CA GLY A 62 -5.675 11.186 10.636 1.00 0.00 C ATOM 887 C GLY A 62 -5.752 9.946 9.770 1.00 0.00 C ATOM 888 O GLY A 62 -4.753 9.524 9.188 1.00 0.00 O ATOM 0 H GLY A 62 -3.616 11.226 10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.897 10.918 11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.440 11.895 10.319 1.00 0.00 H new ATOM 892 N ALA A 63 -6.942 9.359 9.684 1.00 0.00 N ATOM 893 CA ALA A 63 -7.145 8.159 8.881 1.00 0.00 C ATOM 894 C ALA A 63 -7.033 8.469 7.393 1.00 0.00 C ATOM 895 O ALA A 63 -6.294 7.807 6.664 1.00 0.00 O ATOM 896 CB ALA A 63 -8.498 7.538 9.194 1.00 0.00 C ATOM 0 H ALA A 63 -7.779 9.695 10.160 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.362 7.444 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.637 6.643 8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.540 7.271 10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.288 8.255 8.969 1.00 0.00 H new ATOM 902 N LEU A 64 -7.774 9.478 6.947 1.00 0.00 N ATOM 903 CA LEU A 64 -7.759 9.877 5.543 1.00 0.00 C ATOM 904 C LEU A 64 -6.504 10.679 5.218 1.00 0.00 C ATOM 905 O LEU A 64 -5.789 10.371 4.265 1.00 0.00 O ATOM 906 CB LEU A 64 -9.005 10.700 5.213 1.00 0.00 C ATOM 907 CG LEU A 64 -9.546 10.558 3.791 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.982 9.125 3.526 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.703 11.520 3.561 1.00 0.00 C ATOM 0 H LEU A 64 -8.393 10.035 7.537 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.757 8.973 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.795 10.421 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.779 11.751 5.391 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.747 10.808 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.364 9.043 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.129 8.457 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.765 8.847 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.075 11.405 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.504 11.301 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.359 12.544 3.708 1.00 0.00 H new ATOM 921 N GLU A 65 -6.242 11.708 6.018 1.00 0.00 N ATOM 922 CA GLU A 65 -5.072 12.555 5.814 1.00 0.00 C ATOM 923 C GLU A 65 -3.853 11.716 5.440 1.00 0.00 C ATOM 924 O GLU A 65 -3.021 12.136 4.636 1.00 0.00 O ATOM 925 CB GLU A 65 -4.778 13.368 7.077 1.00 0.00 C ATOM 926 CG GLU A 65 -5.785 14.476 7.336 1.00 0.00 C ATOM 927 CD GLU A 65 -6.132 15.254 6.082 1.00 0.00 C ATOM 928 OE1 GLU A 65 -5.229 15.468 5.247 1.00 0.00 O ATOM 929 OE2 GLU A 65 -7.308 15.649 5.936 1.00 0.00 O ATOM 0 H GLU A 65 -6.823 11.975 6.812 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.287 13.238 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.761 12.696 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.783 13.805 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.694 14.045 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.383 15.160 8.084 1.00 0.00 H new ATOM 936 N ALA A 66 -3.755 10.530 6.031 1.00 0.00 N ATOM 937 CA ALA A 66 -2.640 9.632 5.759 1.00 0.00 C ATOM 938 C ALA A 66 -2.666 9.145 4.314 1.00 0.00 C ATOM 939 O ALA A 66 -1.713 9.347 3.561 1.00 0.00 O ATOM 940 CB ALA A 66 -2.668 8.449 6.716 1.00 0.00 C ATOM 0 H ALA A 66 -4.434 10.169 6.701 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.715 10.187 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.829 7.787 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.592 8.809 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.603 7.902 6.592 1.00 0.00 H new ATOM 946 N THR A 67 -3.764 8.500 3.931 1.00 0.00 N ATOM 947 CA THR A 67 -3.914 7.982 2.577 1.00 0.00 C ATOM 948 C THR A 67 -3.494 9.020 1.542 1.00 0.00 C ATOM 949 O THR A 67 -2.890 8.685 0.523 1.00 0.00 O ATOM 950 CB THR A 67 -5.367 7.554 2.296 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.848 6.729 3.364 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.464 6.798 0.980 1.00 0.00 C ATOM 0 H THR A 67 -4.563 8.324 4.540 1.00 0.00 H new ATOM 0 HA THR A 67 -3.265 7.110 2.499 1.00 0.00 H new ATOM 0 HB THR A 67 -5.981 8.452 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.950 5.808 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.499 6.506 0.803 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.124 7.439 0.166 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.839 5.906 1.026 1.00 0.00 H new ATOM 960 N ALA A 68 -3.816 10.281 1.810 1.00 0.00 N ATOM 961 CA ALA A 68 -3.470 11.368 0.903 1.00 0.00 C ATOM 962 C ALA A 68 -1.995 11.312 0.517 1.00 0.00 C ATOM 963 O ALA A 68 -1.655 11.250 -0.664 1.00 0.00 O ATOM 964 CB ALA A 68 -3.801 12.710 1.538 1.00 0.00 C ATOM 0 H ALA A 68 -4.316 10.575 2.649 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.061 11.253 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.537 13.513 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.868 12.755 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.235 12.824 2.463 1.00 0.00 H new ATOM 970 N TRP A 69 -1.125 11.335 1.520 1.00 0.00 N ATOM 971 CA TRP A 69 0.314 11.287 1.286 1.00 0.00 C ATOM 972 C TRP A 69 0.692 10.051 0.478 1.00 0.00 C ATOM 973 O TRP A 69 1.289 10.157 -0.594 1.00 0.00 O ATOM 974 CB TRP A 69 1.069 11.294 2.615 1.00 0.00 C ATOM 975 CG TRP A 69 2.551 11.136 2.457 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.470 12.134 2.304 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.284 9.906 2.434 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.730 11.599 2.188 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.643 10.235 2.266 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.925 8.560 2.542 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.641 9.264 2.201 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.916 7.599 2.479 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.260 7.955 2.310 1.00 0.00 C ATOM 0 H TRP A 69 -1.391 11.387 2.503 1.00 0.00 H new ATOM 0 HA TRP A 69 0.594 12.172 0.714 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.864 12.229 3.136 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.690 10.489 3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.240 13.189 2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.591 12.132 2.064 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.891 8.276 2.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.678 9.536 2.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.650 6.556 2.561 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.011 7.180 2.265 1.00 0.00 H new ATOM 994 N ALA A 70 0.341 8.879 0.997 1.00 0.00 N ATOM 995 CA ALA A 70 0.644 7.623 0.322 1.00 0.00 C ATOM 996 C ALA A 70 0.360 7.722 -1.173 1.00 0.00 C ATOM 997 O ALA A 70 1.258 7.543 -1.998 1.00 0.00 O ATOM 998 CB ALA A 70 -0.159 6.487 0.939 1.00 0.00 C ATOM 0 H ALA A 70 -0.153 8.773 1.883 1.00 0.00 H new ATOM 0 HA ALA A 70 1.706 7.415 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.076 5.555 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.094 6.394 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.224 6.698 0.839 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.890 8.007 -1.517 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.291 8.129 -2.913 1.00 0.00 C ATOM 1006 C LEU A 71 -0.453 9.181 -3.632 1.00 0.00 C ATOM 1007 O LEU A 71 -0.351 9.179 -4.858 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.775 8.491 -3.009 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.762 7.360 -2.716 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.047 7.915 -2.121 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -4.057 6.569 -3.982 1.00 0.00 C ATOM 0 H LEU A 71 -1.644 8.158 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.125 7.166 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.974 9.309 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.972 8.868 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.309 6.687 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.738 7.096 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.822 8.437 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.504 8.610 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.761 5.768 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.490 7.231 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.132 6.140 -4.367 1.00 0.00 H new ATOM 1023 N LYS A 72 0.150 10.078 -2.859 1.00 0.00 N ATOM 1024 CA LYS A 72 0.985 11.134 -3.419 1.00 0.00 C ATOM 1025 C LYS A 72 2.407 10.636 -3.654 1.00 0.00 C ATOM 1026 O LYS A 72 2.842 10.488 -4.796 1.00 0.00 O ATOM 1027 CB LYS A 72 1.004 12.346 -2.484 1.00 0.00 C ATOM 1028 CG LYS A 72 1.629 13.583 -3.106 1.00 0.00 C ATOM 1029 CD LYS A 72 3.124 13.644 -2.842 1.00 0.00 C ATOM 1030 CE LYS A 72 3.685 15.029 -3.130 1.00 0.00 C ATOM 1031 NZ LYS A 72 5.128 14.978 -3.497 1.00 0.00 N ATOM 0 H LYS A 72 0.076 10.095 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 72 0.560 11.430 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.017 12.578 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.553 12.088 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.448 13.582 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.151 14.476 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.322 13.379 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.634 12.907 -3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.120 15.488 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.556 15.663 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.630 15.766 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.536 14.076 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.227 15.056 -4.529 1.00 0.00 H new ATOM 1045 N VAL A 73 3.126 10.378 -2.566 1.00 0.00 N ATOM 1046 CA VAL A 73 4.499 9.896 -2.654 1.00 0.00 C ATOM 1047 C VAL A 73 4.592 8.666 -3.551 1.00 0.00 C ATOM 1048 O VAL A 73 5.655 8.357 -4.089 1.00 0.00 O ATOM 1049 CB VAL A 73 5.062 9.547 -1.264 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.374 8.788 -1.393 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.245 10.807 -0.432 1.00 0.00 C ATOM 0 H VAL A 73 2.780 10.495 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 73 5.091 10.703 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 73 4.347 8.902 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.756 8.550 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.207 7.865 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.100 9.404 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.644 10.542 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.939 11.479 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.283 11.305 -0.309 1.00 0.00 H new ATOM 1061 N ALA A 74 3.472 7.968 -3.708 1.00 0.00 N ATOM 1062 CA ALA A 74 3.426 6.774 -4.541 1.00 0.00 C ATOM 1063 C ALA A 74 3.261 7.138 -6.014 1.00 0.00 C ATOM 1064 O ALA A 74 3.662 6.381 -6.897 1.00 0.00 O ATOM 1065 CB ALA A 74 2.295 5.860 -4.092 1.00 0.00 C ATOM 0 H ALA A 74 2.584 8.210 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 74 4.373 6.246 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.273 4.972 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.456 5.564 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.345 6.388 -4.175 1.00 0.00 H new ATOM 1071 N GLU A 75 2.669 8.300 -6.269 1.00 0.00 N ATOM 1072 CA GLU A 75 2.451 8.762 -7.634 1.00 0.00 C ATOM 1073 C GLU A 75 3.582 9.683 -8.085 1.00 0.00 C ATOM 1074 O GLU A 75 3.787 9.891 -9.279 1.00 0.00 O ATOM 1075 CB GLU A 75 1.110 9.492 -7.741 1.00 0.00 C ATOM 1076 CG GLU A 75 0.714 9.830 -9.169 1.00 0.00 C ATOM 1077 CD GLU A 75 1.280 11.159 -9.632 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.187 12.143 -8.870 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.818 11.212 -10.757 1.00 0.00 O ATOM 0 H GLU A 75 2.332 8.938 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 75 2.435 7.889 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.332 8.873 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.159 10.412 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.061 9.040 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.373 9.856 -9.244 1.00 0.00 H new ATOM 1086 N ASN A 76 4.310 10.231 -7.117 1.00 0.00 N ATOM 1087 CA ASN A 76 5.419 11.131 -7.414 1.00 0.00 C ATOM 1088 C ASN A 76 6.729 10.359 -7.531 1.00 0.00 C ATOM 1089 O ASN A 76 7.405 10.416 -8.558 1.00 0.00 O ATOM 1090 CB ASN A 76 5.540 12.200 -6.326 1.00 0.00 C ATOM 1091 CG ASN A 76 4.684 13.418 -6.615 1.00 0.00 C ATOM 1092 OD1 ASN A 76 5.167 14.421 -7.140 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.403 13.336 -6.273 1.00 0.00 N ATOM 0 H ASN A 76 4.152 10.068 -6.122 1.00 0.00 H new ATOM 0 HA ASN A 76 5.216 11.615 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.248 11.773 -5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.582 12.505 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.778 14.124 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.044 12.485 -5.840 1.00 0.00 H new ATOM 1100 N GLU A 77 7.082 9.638 -6.472 1.00 0.00 N ATOM 1101 CA GLU A 77 8.312 8.854 -6.456 1.00 0.00 C ATOM 1102 C GLU A 77 8.122 7.529 -7.189 1.00 0.00 C ATOM 1103 O GLU A 77 8.642 7.335 -8.289 1.00 0.00 O ATOM 1104 CB GLU A 77 8.759 8.593 -5.016 1.00 0.00 C ATOM 1105 CG GLU A 77 9.682 9.665 -4.462 1.00 0.00 C ATOM 1106 CD GLU A 77 10.911 9.879 -5.323 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.803 9.006 -5.309 1.00 0.00 O ATOM 1108 OE2 GLU A 77 10.980 10.919 -6.010 1.00 0.00 O ATOM 0 H GLU A 77 6.534 9.580 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 77 9.084 9.427 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.878 8.519 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.267 7.629 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.134 10.603 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.993 9.387 -3.455 1.00 0.00 H new ATOM 1115 N LEU A 78 7.374 6.620 -6.573 1.00 0.00 N ATOM 1116 CA LEU A 78 7.115 5.313 -7.165 1.00 0.00 C ATOM 1117 C LEU A 78 6.504 5.457 -8.556 1.00 0.00 C ATOM 1118 O LEU A 78 6.825 4.696 -9.468 1.00 0.00 O ATOM 1119 CB LEU A 78 6.181 4.500 -6.268 1.00 0.00 C ATOM 1120 CG LEU A 78 6.467 4.567 -4.767 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.495 3.685 -3.998 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.904 4.157 -4.479 1.00 0.00 C ATOM 0 H LEU A 78 6.936 6.765 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 78 8.066 4.789 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.159 4.839 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.227 3.457 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 78 6.331 5.597 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.714 3.746 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.475 4.024 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.599 2.652 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.090 4.211 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.067 3.136 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.586 4.830 -4.999 1.00 0.00 H new ATOM 1134 N GLY A 79 5.623 6.440 -8.711 1.00 0.00 N ATOM 1135 CA GLY A 79 4.983 6.668 -9.994 1.00 0.00 C ATOM 1136 C GLY A 79 3.656 5.945 -10.116 1.00 0.00 C ATOM 1137 O GLY A 79 2.953 6.089 -11.116 1.00 0.00 O ATOM 0 H GLY A 79 5.341 7.083 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.825 7.737 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.648 6.338 -10.792 1.00 0.00 H new ATOM 1141 N ILE A 80 3.313 5.165 -9.096 1.00 0.00 N ATOM 1142 CA ILE A 80 2.062 4.417 -9.094 1.00 0.00 C ATOM 1143 C ILE A 80 0.861 5.354 -9.034 1.00 0.00 C ATOM 1144 O ILE A 80 0.522 5.880 -7.974 1.00 0.00 O ATOM 1145 CB ILE A 80 1.994 3.438 -7.908 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.156 2.444 -7.971 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.661 2.703 -7.903 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.166 1.606 -9.231 1.00 0.00 C ATOM 0 H ILE A 80 3.884 5.035 -8.261 1.00 0.00 H new ATOM 0 HA ILE A 80 2.032 3.851 -10.025 1.00 0.00 H new ATOM 0 HB ILE A 80 2.077 4.007 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.096 2.991 -7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.106 1.784 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.628 2.015 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.152 3.424 -7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.551 2.143 -8.832 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.016 0.924 -9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.242 1.031 -9.293 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.247 2.258 -10.101 1.00 0.00 H new ATOM 1160 N THR A 81 0.220 5.560 -10.180 1.00 0.00 N ATOM 1161 CA THR A 81 -0.943 6.434 -10.259 1.00 0.00 C ATOM 1162 C THR A 81 -2.059 5.948 -9.341 1.00 0.00 C ATOM 1163 O THR A 81 -2.331 4.752 -9.233 1.00 0.00 O ATOM 1164 CB THR A 81 -1.483 6.523 -11.699 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.488 7.089 -12.560 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.748 7.367 -11.753 1.00 0.00 C ATOM 0 H THR A 81 0.487 5.133 -11.067 1.00 0.00 H new ATOM 0 HA THR A 81 -0.616 7.423 -9.939 1.00 0.00 H new ATOM 0 HB THR A 81 -1.725 5.515 -12.036 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.838 7.141 -13.474 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.110 7.415 -12.780 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.513 6.918 -11.119 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.529 8.374 -11.398 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.722 6.895 -8.661 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.820 6.587 -7.740 1.00 0.00 C ATOM 1176 C PRO A 82 -5.068 6.098 -8.469 1.00 0.00 C ATOM 1177 O PRO A 82 -5.954 6.886 -8.800 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.093 7.927 -7.053 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.623 8.954 -8.024 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.452 8.340 -8.740 1.00 0.00 C ATOM 0 HA PRO A 82 -3.560 5.784 -7.050 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.153 8.049 -6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.558 8.003 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.414 9.219 -8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.331 9.871 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.389 8.681 -9.773 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.508 8.599 -8.261 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.130 4.793 -8.713 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.270 4.199 -9.401 1.00 0.00 C ATOM 1190 C VAL A 83 -7.554 4.390 -8.602 1.00 0.00 C ATOM 1191 O VAL A 83 -8.651 4.407 -9.163 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.053 2.695 -9.650 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.449 1.887 -8.423 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.836 2.239 -10.873 1.00 0.00 C ATOM 0 H VAL A 83 -4.405 4.128 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.362 4.709 -10.360 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.993 2.526 -9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.289 0.827 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.841 2.195 -7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.502 2.059 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.671 1.174 -11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.899 2.422 -10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.500 2.795 -11.748 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.412 4.536 -7.288 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.561 4.728 -6.411 1.00 0.00 C ATOM 1206 C VAL A 84 -8.402 5.987 -5.567 1.00 0.00 C ATOM 1207 O VAL A 84 -7.353 6.216 -4.966 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.763 3.519 -5.479 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.843 3.815 -4.449 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -9.109 2.276 -6.285 1.00 0.00 C ATOM 0 H VAL A 84 -6.512 4.525 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.436 4.832 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.830 3.331 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.973 2.950 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.549 4.678 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.782 4.030 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.248 1.432 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.029 2.449 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.298 2.055 -6.980 1.00 0.00 H new ATOM 1220 N SER A 85 -9.453 6.801 -5.526 1.00 0.00 N ATOM 1221 CA SER A 85 -9.430 8.040 -4.756 1.00 0.00 C ATOM 1222 C SER A 85 -9.105 7.765 -3.292 1.00 0.00 C ATOM 1223 O SER A 85 -9.461 6.717 -2.752 1.00 0.00 O ATOM 1224 CB SER A 85 -10.777 8.759 -4.866 1.00 0.00 C ATOM 1225 OG SER A 85 -10.615 10.162 -4.763 1.00 0.00 O ATOM 0 H SER A 85 -10.330 6.625 -6.016 1.00 0.00 H new ATOM 0 HA SER A 85 -8.650 8.680 -5.168 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.248 8.513 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.445 8.408 -4.080 1.00 0.00 H new ATOM 0 HG SER A 85 -11.489 10.599 -4.838 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.427 8.712 -2.654 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.055 8.574 -1.251 1.00 0.00 C ATOM 1233 C ALA A 86 -9.278 8.295 -0.384 1.00 0.00 C ATOM 1234 O ALA A 86 -9.199 7.555 0.595 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.339 9.827 -0.769 1.00 0.00 C ATOM 0 H ALA A 86 -8.123 9.584 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.377 7.725 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.067 9.710 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.438 9.982 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.998 10.688 -0.879 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.408 8.892 -0.752 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.646 8.707 -0.006 1.00 0.00 C ATOM 1243 C GLN A 87 -12.218 7.312 -0.235 1.00 0.00 C ATOM 1244 O GLN A 87 -12.653 6.646 0.705 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.674 9.764 -0.413 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.724 10.035 0.653 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.053 10.466 0.067 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.103 11.119 -0.977 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.142 10.103 0.736 1.00 0.00 N ATOM 0 H GLN A 87 -10.491 9.507 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.420 8.818 1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.154 10.694 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.172 9.441 -1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.870 9.135 1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.360 10.810 1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.055 9.562 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.065 10.365 0.389 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.211 6.874 -1.490 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.727 5.557 -1.842 1.00 0.00 C ATOM 1260 C ALA A 88 -12.026 4.461 -1.046 1.00 0.00 C ATOM 1261 O ALA A 88 -12.669 3.552 -0.521 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.568 5.310 -3.335 1.00 0.00 C ATOM 0 H ALA A 88 -11.854 7.412 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.787 5.531 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.957 4.323 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.120 6.068 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.512 5.362 -3.602 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.703 4.554 -0.960 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.913 3.571 -0.226 1.00 0.00 C ATOM 1270 C VAL A 89 -10.381 3.460 1.220 1.00 0.00 C ATOM 1271 O VAL A 89 -10.871 2.414 1.647 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.415 3.928 -0.244 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.625 2.960 0.622 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.886 3.934 -1.670 1.00 0.00 C ATOM 0 H VAL A 89 -10.155 5.300 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.056 2.613 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.293 4.929 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.569 3.228 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.988 3.011 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.751 1.946 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.826 4.188 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.020 2.947 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.433 4.672 -2.258 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.228 4.545 1.971 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.636 4.571 3.370 1.00 0.00 C ATOM 1286 C VAL A 90 -12.143 4.384 3.507 1.00 0.00 C ATOM 1287 O VAL A 90 -12.606 3.435 4.140 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.231 5.892 4.050 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.722 5.926 5.489 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.723 6.082 3.987 1.00 0.00 C ATOM 0 H VAL A 90 -9.824 5.419 1.634 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.123 3.745 3.863 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.701 6.716 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.426 6.867 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.808 5.840 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.284 5.096 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.454 7.020 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.230 5.255 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.403 6.107 2.945 1.00 0.00 H new ATOM 1300 N ALA A 91 -12.904 5.294 2.909 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.359 5.229 2.960 1.00 0.00 C ATOM 1302 C ALA A 91 -14.848 3.789 2.846 1.00 0.00 C ATOM 1303 O ALA A 91 -15.710 3.353 3.608 1.00 0.00 O ATOM 1304 CB ALA A 91 -14.966 6.083 1.858 1.00 0.00 C ATOM 0 H ALA A 91 -12.536 6.086 2.383 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.681 5.620 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.053 6.024 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.652 7.119 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.628 5.719 0.888 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.291 3.054 1.889 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.684 1.671 1.692 1.00 0.00 C ATOM 1312 C GLY A 92 -15.860 1.531 0.747 1.00 0.00 C ATOM 1313 O GLY A 92 -16.761 0.725 0.981 1.00 0.00 O ATOM 0 H GLY A 92 -13.574 3.391 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.837 1.108 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.941 1.229 2.655 1.00 0.00 H new ATOM 1317 N SER A 93 -15.855 2.318 -0.324 1.00 0.00 N ATOM 1318 CA SER A 93 -16.932 2.283 -1.305 1.00 0.00 C ATOM 1319 C SER A 93 -16.535 1.449 -2.519 1.00 0.00 C ATOM 1320 O SER A 93 -17.334 0.671 -3.041 1.00 0.00 O ATOM 1321 CB SER A 93 -17.298 3.702 -1.744 1.00 0.00 C ATOM 1322 OG SER A 93 -18.329 3.685 -2.715 1.00 0.00 O ATOM 0 H SER A 93 -15.116 2.988 -0.534 1.00 0.00 H new ATOM 0 HA SER A 93 -17.801 1.820 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.618 4.282 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.418 4.198 -2.152 1.00 0.00 H new ATOM 0 HG SER A 93 -18.546 4.604 -2.978 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.295 1.618 -2.964 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.789 0.881 -4.116 1.00 0.00 C ATOM 1330 C ASP A 94 -13.727 -0.130 -3.692 1.00 0.00 C ATOM 1331 O ASP A 94 -12.529 0.152 -3.694 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.206 1.846 -5.150 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.159 2.975 -5.488 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -15.390 3.839 -4.616 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.673 2.996 -6.626 1.00 0.00 O ATOM 0 H ASP A 94 -14.622 2.259 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.623 0.340 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.274 2.263 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.961 1.296 -6.059 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.176 -1.337 -3.316 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.283 -2.414 -2.882 1.00 0.00 C ATOM 1342 C PRO A 95 -12.447 -2.973 -4.029 1.00 0.00 C ATOM 1343 O PRO A 95 -11.285 -3.336 -3.844 1.00 0.00 O ATOM 1344 CB PRO A 95 -14.243 -3.481 -2.351 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.523 -3.231 -3.072 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.591 -1.744 -3.288 1.00 0.00 C ATOM 0 HA PRO A 95 -12.558 -2.069 -2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.867 -4.485 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.373 -3.395 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.547 -3.765 -4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.375 -3.580 -2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.099 -1.496 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.136 -1.246 -2.486 1.00 0.00 H new ATOM 1354 N LEU A 96 -13.045 -3.038 -5.213 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.356 -3.553 -6.391 1.00 0.00 C ATOM 1356 C LEU A 96 -11.149 -2.686 -6.737 1.00 0.00 C ATOM 1357 O LEU A 96 -10.046 -3.193 -6.940 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.313 -3.612 -7.582 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.180 -4.868 -7.685 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.489 -4.676 -6.935 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.444 -5.214 -9.143 1.00 0.00 C ATOM 0 H LEU A 96 -14.006 -2.740 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.005 -4.560 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.970 -2.744 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.728 -3.523 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.641 -5.697 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.093 -5.580 -7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.280 -4.476 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.034 -3.835 -7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.062 -6.110 -9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.962 -4.385 -9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.497 -5.395 -9.651 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.365 -1.376 -6.799 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.286 -0.460 -7.118 1.00 0.00 C ATOM 1375 C GLY A 97 -9.056 -0.693 -6.265 1.00 0.00 C ATOM 1376 O GLY A 97 -7.958 -0.894 -6.785 1.00 0.00 O ATOM 0 H GLY A 97 -12.269 -0.932 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.021 -0.568 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.631 0.565 -6.980 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.237 -0.665 -4.949 1.00 0.00 N ATOM 1381 CA LEU A 98 -8.133 -0.874 -4.019 1.00 0.00 C ATOM 1382 C LEU A 98 -7.269 -2.053 -4.456 1.00 0.00 C ATOM 1383 O LEU A 98 -6.068 -1.905 -4.683 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.666 -1.115 -2.606 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.654 -1.631 -1.584 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.554 -0.605 -1.357 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -8.346 -1.973 -0.273 1.00 0.00 C ATOM 0 H LEU A 98 -10.139 -0.499 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.517 0.025 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.084 -0.180 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.487 -1.829 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.199 -2.540 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.843 -0.990 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.039 -0.410 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.992 0.321 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.610 -2.339 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.829 -1.081 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.096 -2.744 -0.448 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.889 -3.222 -4.573 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.177 -4.426 -4.986 1.00 0.00 C ATOM 1401 C ILE A 99 -6.318 -4.161 -6.218 1.00 0.00 C ATOM 1402 O ILE A 99 -5.146 -4.533 -6.262 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.151 -5.579 -5.292 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.989 -5.910 -4.055 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.388 -6.806 -5.765 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.142 -6.847 -4.338 1.00 0.00 C ATOM 0 H ILE A 99 -8.882 -3.362 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.535 -4.714 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.824 -5.264 -6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.344 -6.358 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.379 -4.984 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.091 -7.612 -5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.832 -6.562 -6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.694 -7.125 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.691 -7.037 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.809 -6.392 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.758 -7.788 -4.732 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.908 -3.513 -7.217 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.196 -3.194 -8.448 1.00 0.00 C ATOM 1420 C ALA A 100 -5.076 -2.192 -8.190 1.00 0.00 C ATOM 1421 O ALA A 100 -4.057 -2.196 -8.881 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.162 -2.652 -9.491 1.00 0.00 C ATOM 0 H ALA A 100 -7.878 -3.198 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.747 -4.112 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.617 -2.418 -10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.924 -3.401 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.638 -1.748 -9.111 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.271 -1.336 -7.193 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.278 -0.328 -6.847 1.00 0.00 C ATOM 1430 C TYR A 101 -3.012 -0.975 -6.298 1.00 0.00 C ATOM 1431 O TYR A 101 -1.911 -0.739 -6.799 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.851 0.651 -5.819 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.936 1.815 -5.515 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.262 2.478 -6.534 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.744 2.250 -4.211 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.424 3.543 -6.262 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.909 3.315 -3.929 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.252 3.957 -4.957 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.418 5.017 -4.680 1.00 0.00 O ATOM 0 H TYR A 101 -6.108 -1.321 -6.611 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.020 0.217 -7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.803 1.034 -6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.060 0.113 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.395 2.155 -7.556 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.256 1.748 -3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.908 4.048 -7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.772 3.642 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.412 5.636 -5.440 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.174 -1.795 -5.264 1.00 0.00 N ATOM 1450 CA LEU A 102 -2.044 -2.479 -4.646 1.00 0.00 C ATOM 1451 C LEU A 102 -1.252 -3.270 -5.683 1.00 0.00 C ATOM 1452 O LEU A 102 -0.021 -3.246 -5.689 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.533 -3.415 -3.539 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.411 -2.778 -2.461 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.982 -3.844 -1.538 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.619 -1.750 -1.666 1.00 0.00 C ATOM 0 H LEU A 102 -4.077 -2.002 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.387 -1.725 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.092 -4.230 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.663 -3.859 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.241 -2.268 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.604 -3.372 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.585 -4.542 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.166 -4.383 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.260 -1.307 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.769 -2.236 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.260 -0.969 -2.337 1.00 0.00 H new ATOM 1468 N SER A 103 -1.967 -3.968 -6.559 1.00 0.00 N ATOM 1469 CA SER A 103 -1.331 -4.767 -7.600 1.00 0.00 C ATOM 1470 C SER A 103 -0.226 -3.975 -8.295 1.00 0.00 C ATOM 1471 O SER A 103 0.835 -4.514 -8.611 1.00 0.00 O ATOM 1472 CB SER A 103 -2.369 -5.224 -8.627 1.00 0.00 C ATOM 1473 OG SER A 103 -3.078 -6.360 -8.164 1.00 0.00 O ATOM 0 H SER A 103 -2.987 -3.997 -6.569 1.00 0.00 H new ATOM 0 HA SER A 103 -0.885 -5.643 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.068 -4.412 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.874 -5.459 -9.569 1.00 0.00 H new ATOM 0 HG SER A 103 -3.736 -6.631 -8.837 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.484 -2.692 -8.528 1.00 0.00 N ATOM 1480 CA HIS A 104 0.488 -1.825 -9.185 1.00 0.00 C ATOM 1481 C HIS A 104 1.791 -1.771 -8.391 1.00 0.00 C ATOM 1482 O HIS A 104 2.880 -1.806 -8.964 1.00 0.00 O ATOM 1483 CB HIS A 104 -0.083 -0.415 -9.346 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.318 -0.363 -10.192 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.768 0.792 -10.796 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.198 -1.332 -10.534 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.873 0.531 -11.471 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.155 -0.751 -11.329 1.00 0.00 N ATOM 0 H HIS A 104 -1.357 -2.230 -8.272 1.00 0.00 H new ATOM 0 HA HIS A 104 0.700 -2.238 -10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.310 -0.009 -8.360 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.678 0.228 -9.788 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.156 -2.369 -10.237 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.448 1.245 -12.042 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.954 -1.232 -11.743 1.00 0.00 H new ATOM 1497 N PHE A 105 1.671 -1.685 -7.071 1.00 0.00 N ATOM 1498 CA PHE A 105 2.839 -1.624 -6.200 1.00 0.00 C ATOM 1499 C PHE A 105 3.661 -2.905 -6.301 1.00 0.00 C ATOM 1500 O PHE A 105 4.884 -2.863 -6.435 1.00 0.00 O ATOM 1501 CB PHE A 105 2.408 -1.396 -4.750 1.00 0.00 C ATOM 1502 CG PHE A 105 2.030 0.028 -4.454 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.767 0.503 -4.768 1.00 0.00 C ATOM 1504 CD2 PHE A 105 2.938 0.891 -3.861 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.416 1.812 -4.497 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.592 2.201 -3.587 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.330 2.663 -3.907 1.00 0.00 C ATOM 0 H PHE A 105 0.777 -1.656 -6.581 1.00 0.00 H new ATOM 0 HA PHE A 105 3.459 -0.788 -6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.560 -2.043 -4.525 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.220 -1.693 -4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.048 -0.157 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.927 0.536 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.572 2.169 -4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.308 2.863 -3.123 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.059 3.687 -3.696 1.00 0.00 H new ATOM 1517 N HIS A 106 2.979 -4.046 -6.238 1.00 0.00 N ATOM 1518 CA HIS A 106 3.645 -5.340 -6.323 1.00 0.00 C ATOM 1519 C HIS A 106 4.180 -5.584 -7.730 1.00 0.00 C ATOM 1520 O HIS A 106 5.388 -5.704 -7.934 1.00 0.00 O ATOM 1521 CB HIS A 106 2.681 -6.460 -5.929 1.00 0.00 C ATOM 1522 CG HIS A 106 3.269 -7.831 -6.066 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.631 -8.860 -6.728 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.441 -8.340 -5.623 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.387 -9.943 -6.685 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.491 -9.653 -6.021 1.00 0.00 N ATOM 0 H HIS A 106 1.966 -4.099 -6.128 1.00 0.00 H new ATOM 0 HA HIS A 106 4.486 -5.335 -5.630 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.365 -6.310 -4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.787 -6.393 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.197 -7.812 -5.061 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.144 -10.902 -7.119 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.257 -10.300 -5.834 1.00 0.00 H new ATOM 1535 N SER A 107 3.272 -5.657 -8.699 1.00 0.00 N ATOM 1536 CA SER A 107 3.652 -5.892 -10.087 1.00 0.00 C ATOM 1537 C SER A 107 4.961 -5.181 -10.419 1.00 0.00 C ATOM 1538 O SER A 107 5.751 -5.660 -11.233 1.00 0.00 O ATOM 1539 CB SER A 107 2.546 -5.413 -11.028 1.00 0.00 C ATOM 1540 OG SER A 107 1.337 -6.114 -10.794 1.00 0.00 O ATOM 0 H SER A 107 2.268 -5.557 -8.548 1.00 0.00 H new ATOM 0 HA SER A 107 3.796 -6.964 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.383 -4.344 -10.888 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.858 -5.555 -12.063 1.00 0.00 H new ATOM 0 HG SER A 107 0.889 -5.740 -10.006 1.00 0.00 H new ATOM 1546 N ALA A 108 5.183 -4.037 -9.783 1.00 0.00 N ATOM 1547 CA ALA A 108 6.396 -3.260 -10.009 1.00 0.00 C ATOM 1548 C ALA A 108 7.496 -3.664 -9.032 1.00 0.00 C ATOM 1549 O ALA A 108 8.658 -3.805 -9.415 1.00 0.00 O ATOM 1550 CB ALA A 108 6.101 -1.772 -9.888 1.00 0.00 C ATOM 0 H ALA A 108 4.539 -3.627 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 108 6.748 -3.468 -11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.016 -1.205 -10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.354 -1.488 -10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.722 -1.556 -8.889 1.00 0.00 H new ATOM 1556 N PHE A 109 7.122 -3.849 -7.771 1.00 0.00 N ATOM 1557 CA PHE A 109 8.077 -4.235 -6.739 1.00 0.00 C ATOM 1558 C PHE A 109 7.896 -5.700 -6.351 1.00 0.00 C ATOM 1559 O PHE A 109 7.839 -6.038 -5.169 1.00 0.00 O ATOM 1560 CB PHE A 109 7.916 -3.345 -5.505 1.00 0.00 C ATOM 1561 CG PHE A 109 8.360 -1.927 -5.727 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.579 -1.051 -6.463 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.557 -1.471 -5.199 1.00 0.00 C ATOM 1564 CE1 PHE A 109 7.984 0.255 -6.669 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.966 -0.167 -5.402 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.180 0.697 -6.139 1.00 0.00 C ATOM 0 H PHE A 109 6.164 -3.738 -7.439 1.00 0.00 H new ATOM 0 HA PHE A 109 9.081 -4.105 -7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.870 -3.346 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.489 -3.772 -4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.643 -1.392 -6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.177 -2.142 -4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.366 0.929 -7.244 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.901 0.177 -4.984 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.500 1.716 -6.300 1.00 0.00 H new ATOM 1576 N LYS A 110 7.806 -6.566 -7.355 1.00 0.00 N ATOM 1577 CA LYS A 110 7.631 -7.994 -7.121 1.00 0.00 C ATOM 1578 C LYS A 110 8.908 -8.759 -7.455 1.00 0.00 C ATOM 1579 O LYS A 110 9.838 -8.207 -8.043 1.00 0.00 O ATOM 1580 CB LYS A 110 6.469 -8.531 -7.960 1.00 0.00 C ATOM 1581 CG LYS A 110 6.771 -8.593 -9.447 1.00 0.00 C ATOM 1582 CD LYS A 110 5.777 -9.480 -10.180 1.00 0.00 C ATOM 1583 CE LYS A 110 6.388 -10.080 -11.438 1.00 0.00 C ATOM 1584 NZ LYS A 110 7.217 -11.278 -11.136 1.00 0.00 N ATOM 0 H LYS A 110 7.851 -6.303 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 110 7.406 -8.139 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.209 -9.529 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.595 -7.900 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.743 -7.588 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.781 -8.974 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.445 -10.280 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.894 -8.898 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.594 -10.354 -12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.002 -9.330 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.615 -11.656 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.991 -11.012 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.626 -12.004 -10.684 1.00 0.00 H new ATOM 1598 N SER A 111 8.945 -10.033 -7.077 1.00 0.00 N ATOM 1599 CA SER A 111 10.109 -10.873 -7.333 1.00 0.00 C ATOM 1600 C SER A 111 9.694 -12.327 -7.538 1.00 0.00 C ATOM 1601 O SER A 111 8.728 -12.799 -6.942 1.00 0.00 O ATOM 1602 CB SER A 111 11.102 -10.773 -6.174 1.00 0.00 C ATOM 1603 OG SER A 111 12.335 -11.389 -6.504 1.00 0.00 O ATOM 0 H SER A 111 8.182 -10.506 -6.592 1.00 0.00 H new ATOM 0 HA SER A 111 10.589 -10.518 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.271 -9.725 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.680 -11.248 -5.288 1.00 0.00 H new ATOM 0 HG SER A 111 12.953 -11.310 -5.747 1.00 0.00 H new ATOM 1609 N GLY A 112 10.434 -13.032 -8.389 1.00 0.00 N ATOM 1610 CA GLY A 112 10.128 -14.425 -8.659 1.00 0.00 C ATOM 1611 C GLY A 112 9.905 -14.694 -10.134 1.00 0.00 C ATOM 1612 O GLY A 112 10.214 -13.867 -10.992 1.00 0.00 O ATOM 0 H GLY A 112 11.239 -12.664 -8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.945 -15.050 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.237 -14.713 -8.101 1.00 0.00 H new ATOM 1616 N PRO A 113 9.354 -15.876 -10.447 1.00 0.00 N ATOM 1617 CA PRO A 113 9.078 -16.280 -11.829 1.00 0.00 C ATOM 1618 C PRO A 113 7.941 -15.477 -12.451 1.00 0.00 C ATOM 1619 O PRO A 113 6.858 -15.366 -11.875 1.00 0.00 O ATOM 1620 CB PRO A 113 8.682 -17.753 -11.697 1.00 0.00 C ATOM 1621 CG PRO A 113 8.165 -17.882 -10.305 1.00 0.00 C ATOM 1622 CD PRO A 113 8.960 -16.911 -9.476 1.00 0.00 C ATOM 0 HA PRO A 113 9.935 -16.112 -12.481 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.922 -18.026 -12.429 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.536 -18.409 -11.865 1.00 0.00 H new ATOM 0 HG2 PRO A 113 7.100 -17.652 -10.261 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.287 -18.901 -9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.364 -16.494 -8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 113 9.829 -17.388 -9.022 1.00 0.00 H new ATOM 1630 N SER A 114 8.193 -14.916 -13.629 1.00 0.00 N ATOM 1631 CA SER A 114 7.191 -14.119 -14.328 1.00 0.00 C ATOM 1632 C SER A 114 6.070 -15.004 -14.863 1.00 0.00 C ATOM 1633 O SER A 114 6.322 -16.052 -15.460 1.00 0.00 O ATOM 1634 CB SER A 114 7.837 -13.343 -15.477 1.00 0.00 C ATOM 1635 OG SER A 114 8.356 -14.224 -16.458 1.00 0.00 O ATOM 0 H SER A 114 9.083 -14.999 -14.120 1.00 0.00 H new ATOM 0 HA SER A 114 6.764 -13.412 -13.617 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.101 -12.680 -15.932 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.637 -12.713 -15.090 1.00 0.00 H new ATOM 0 HG SER A 114 8.762 -13.704 -17.183 1.00 0.00 H new ATOM 1641 N SER A 115 4.831 -14.576 -14.645 1.00 0.00 N ATOM 1642 CA SER A 115 3.670 -15.331 -15.102 1.00 0.00 C ATOM 1643 C SER A 115 2.692 -14.426 -15.845 1.00 0.00 C ATOM 1644 O SER A 115 2.900 -13.218 -15.944 1.00 0.00 O ATOM 1645 CB SER A 115 2.967 -15.994 -13.915 1.00 0.00 C ATOM 1646 OG SER A 115 3.508 -17.279 -13.657 1.00 0.00 O ATOM 0 H SER A 115 4.605 -13.711 -14.155 1.00 0.00 H new ATOM 0 HA SER A 115 4.017 -16.104 -15.788 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.071 -15.367 -13.029 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.900 -16.079 -14.121 1.00 0.00 H new ATOM 0 HG SER A 115 3.044 -17.682 -12.894 1.00 0.00 H new ATOM 1652 N GLY A 116 1.623 -15.021 -16.366 1.00 0.00 N ATOM 1653 CA GLY A 116 0.629 -14.256 -17.094 1.00 0.00 C ATOM 1654 C GLY A 116 0.171 -14.954 -18.359 1.00 0.00 C ATOM 1655 O GLY A 116 0.559 -16.091 -18.623 1.00 0.00 O ATOM 0 H GLY A 116 1.428 -16.020 -16.296 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.232 -14.078 -16.449 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.042 -13.281 -17.350 1.00 0.00 H new TER 1659 GLY A 116